USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 0 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 77 SER OG : rot 99:sc= 0.996 USER MOD Set 1.2: A 80 ASN : amide:sc= 0.691 K(o=1.7,f=-1.5!) USER MOD Set 2.1: A 68 CYS SG : rot -92:sc= -1.05 USER MOD Set 2.2: A 73 MET CE :methyl -126:sc= -0.0981 (180deg=-0.191) USER MOD Set 3.1: A 44 CYS SG : rot 178:sc= 0.474! USER MOD Set 3.2: A 50 CYS SG : rot -70:sc= -1.94 USER MOD Set 3.3: A 60 CYS SG : rot -137:sc= -0.711 USER MOD Set 3.4: A 61 GLN : amide:sc= -0.231 K(o=-6.8,f=-11!) USER MOD Set 3.5: A 63 CYS SG : rot 175:sc= -4.39! USER MOD Set 4.1: A 53 ASN :FLIP amide:sc= -0.743 F(o=-7.5!,f=-3.5) USER MOD Set 4.2: A 56 THR OG1 : rot 37:sc= -2.73! USER MOD Set 5.1: A 48 LYS NZ :NH3+ 141:sc= 0.429 (180deg=0) USER MOD Set 5.2: A 62 TYR OH : rot 180:sc= 0.413 USER MOD Set 6.1: A 40 MET CE :methyl -143:sc= -0.0532 (180deg=-1.31) USER MOD Set 6.2: A 42 TYR OH : rot 95:sc= 0 USER MOD Set 6.3: A 66 GLN :FLIP amide:sc= -0.529 F(o=-1.3,f=-0.58) USER MOD Set 7.1: A 37 GLN :FLIP amide:sc= -2.83! C(o=-12!,f=-4.3!) USER MOD Set 7.2: A 38 LYS NZ :NH3+ -176:sc= -0.732! (180deg=-1.85!) USER MOD Set 7.3: A 75 LYS NZ :NH3+ -137:sc= -0.756 (180deg=0) USER MOD Set 8.1: A 8 CYS SG : rot 140:sc= 0.453 USER MOD Set 8.2: A 11 CYS SG : rot -13:sc= 1.1 USER MOD Set 8.3: A 25 CYS SG : rot -26:sc= 0.00377 USER MOD Set 8.4: A 28 CYS SG : rot 147:sc= 0.858 USER MOD Set 9.1: A 20 TYR OH : rot -30:sc= -0.993! USER MOD Set 9.2: A 29 LYS NZ :NH3+ -114:sc= 0.431 (180deg=-2.21!) USER MOD Set10.1: A 18 TYR OH : rot -145:sc= 1.04 USER MOD Set10.2: A 23 SER OG : rot 130:sc= -0.545 USER MOD Single : A 6 LYS NZ :NH3+ -157:sc= -0.0872 (180deg=-0.505) USER MOD Single : A 12 GLN : amide:sc= -1.08 K(o=-1.1,f=-2.3) USER MOD Single : A 16 SER OG : rot -29:sc= 0.0362 USER MOD Single : A 19 HIS :FLIP no HD1:sc= -0.278 F(o=-1.2,f=-0.28) USER MOD Single : A 35 SER OG : rot 120:sc= -0.0476 USER MOD Single : A 39 ASN : amide:sc= -0.575 K(o=-0.58,f=-1.5) USER MOD Single : A 43 THR OG1 : rot -68:sc= 0.405 USER MOD Single : A 45 HIS : no HD1:sc= -0.331 X(o=-0.33,f=0) USER MOD Single : A 49 ASN : amide:sc= -1.05 K(o=-1,f=-3.1!) USER MOD Single : A 54 LYS NZ :NH3+ -127:sc= -0.117 (180deg=-1.15) USER MOD Single : A 58 ASN : amide:sc= 0.676 K(o=0.68,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0.502 (180deg=0.502) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N LYS A 6 8.156 9.712 0.361 1.00 0.00 N ATOM 47 CA LYS A 6 7.170 8.614 0.340 1.00 0.00 C ATOM 48 C LYS A 6 6.454 8.505 -1.020 1.00 0.00 C ATOM 49 O LYS A 6 6.327 7.393 -1.524 1.00 0.00 O ATOM 50 CB LYS A 6 6.166 8.702 1.513 1.00 0.00 C ATOM 51 CG LYS A 6 6.462 9.866 2.463 1.00 0.00 C ATOM 52 CD LYS A 6 7.549 9.600 3.526 1.00 0.00 C ATOM 53 CE LYS A 6 7.960 10.904 4.204 1.00 0.00 C ATOM 54 NZ LYS A 6 8.675 11.778 3.262 1.00 0.00 N ATOM 0 HA LYS A 6 7.733 7.691 0.479 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.158 8.812 1.114 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.187 7.767 2.074 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.764 10.729 1.869 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.538 10.138 2.974 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.174 8.898 4.271 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.418 9.136 3.059 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.076 11.416 4.584 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.597 10.688 5.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.270 12.447 3.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.274 11.200 2.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.987 12.306 2.688 1.00 0.00 H new ATOM 55 N PRO A 7 5.741 9.541 -1.471 1.00 0.00 N ATOM 56 CA PRO A 7 4.441 9.989 -0.939 1.00 0.00 C ATOM 57 C PRO A 7 3.308 9.063 -1.416 1.00 0.00 C ATOM 58 O PRO A 7 2.460 9.344 -2.258 1.00 0.00 O ATOM 59 CB PRO A 7 4.350 11.468 -1.294 1.00 0.00 C ATOM 60 CG PRO A 7 5.781 11.853 -1.689 1.00 0.00 C ATOM 61 CD PRO A 7 6.317 10.570 -2.326 1.00 0.00 C ATOM 0 HA PRO A 7 4.338 9.911 0.143 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.652 11.638 -2.114 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.998 12.059 -0.448 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.796 12.688 -2.389 1.00 0.00 H new ATOM 0 HG3 PRO A 7 6.372 12.152 -0.824 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.997 10.465 -3.363 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.407 10.538 -2.324 1.00 0.00 H new ATOM 62 N CYS A 8 3.560 7.826 -1.025 1.00 0.00 N ATOM 63 CA CYS A 8 2.761 6.653 -1.406 1.00 0.00 C ATOM 64 C CYS A 8 1.637 6.037 -0.555 1.00 0.00 C ATOM 65 O CYS A 8 0.652 5.611 -1.149 1.00 0.00 O ATOM 66 CB CYS A 8 3.819 5.624 -1.721 1.00 0.00 C ATOM 67 SG CYS A 8 3.101 4.112 -2.413 1.00 0.00 S ATOM 0 H CYS A 8 4.345 7.593 -0.417 1.00 0.00 H new ATOM 0 HA CYS A 8 2.096 7.021 -2.187 1.00 0.00 H new ATOM 0 HB2 CYS A 8 4.535 6.043 -2.428 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.372 5.382 -0.814 1.00 0.00 H new ATOM 0 HG CYS A 8 3.862 3.669 -3.369 1.00 0.00 H new ATOM 68 N PHE A 9 1.689 5.963 0.764 1.00 0.00 N ATOM 69 CA PHE A 9 2.691 6.557 1.662 1.00 0.00 C ATOM 70 C PHE A 9 3.920 5.664 1.989 1.00 0.00 C ATOM 71 O PHE A 9 4.881 6.057 2.654 1.00 0.00 O ATOM 72 CB PHE A 9 2.023 7.116 2.929 1.00 0.00 C ATOM 73 CG PHE A 9 2.956 7.760 3.941 1.00 0.00 C ATOM 74 CD1 PHE A 9 3.373 9.046 3.598 1.00 0.00 C ATOM 75 CD2 PHE A 9 2.933 7.346 5.283 1.00 0.00 C ATOM 76 CE1 PHE A 9 3.677 9.986 4.589 1.00 0.00 C ATOM 77 CE2 PHE A 9 3.195 8.287 6.302 1.00 0.00 C ATOM 78 CZ PHE A 9 3.530 9.612 5.943 1.00 0.00 C ATOM 0 H PHE A 9 0.980 5.447 1.285 1.00 0.00 H new ATOM 0 HA PHE A 9 3.126 7.380 1.095 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.279 7.854 2.629 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.487 6.305 3.422 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.462 9.319 2.557 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.717 6.318 5.533 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.017 10.976 4.324 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.140 7.998 7.341 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.676 10.351 6.717 1.00 0.00 H new ATOM 79 N VAL A 10 3.957 4.542 1.272 1.00 0.00 N ATOM 80 CA VAL A 10 4.811 3.390 1.585 1.00 0.00 C ATOM 81 C VAL A 10 5.788 2.815 0.543 1.00 0.00 C ATOM 82 O VAL A 10 6.837 2.344 0.953 1.00 0.00 O ATOM 83 CB VAL A 10 3.787 2.407 2.088 1.00 0.00 C ATOM 84 CG1 VAL A 10 3.766 0.927 1.726 1.00 0.00 C ATOM 85 CG2 VAL A 10 3.360 2.668 3.539 1.00 0.00 C ATOM 0 H VAL A 10 3.384 4.402 0.440 1.00 0.00 H new ATOM 0 HA VAL A 10 5.595 3.692 2.280 1.00 0.00 H new ATOM 0 HB VAL A 10 3.030 2.697 1.359 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.925 0.443 2.222 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.663 0.818 0.646 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.696 0.460 2.050 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.621 1.925 3.840 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.230 2.600 4.192 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.925 3.665 3.617 1.00 0.00 H new ATOM 86 N CYS A 11 5.458 2.993 -0.722 1.00 0.00 N ATOM 87 CA CYS A 11 6.279 2.585 -1.889 1.00 0.00 C ATOM 88 C CYS A 11 6.965 3.887 -2.311 1.00 0.00 C ATOM 89 O CYS A 11 6.466 4.836 -2.930 1.00 0.00 O ATOM 90 CB CYS A 11 5.455 1.852 -2.963 1.00 0.00 C ATOM 91 SG CYS A 11 5.348 2.553 -4.655 1.00 0.00 S ATOM 0 H CYS A 11 4.583 3.440 -0.995 1.00 0.00 H new ATOM 0 HA CYS A 11 7.029 1.825 -1.670 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.859 0.843 -3.052 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.437 1.756 -2.585 1.00 0.00 H new ATOM 0 HG CYS A 11 5.783 3.778 -4.646 1.00 0.00 H new ATOM 92 N GLN A 12 8.098 3.912 -1.631 1.00 0.00 N ATOM 93 CA GLN A 12 8.652 5.022 -0.848 1.00 0.00 C ATOM 94 C GLN A 12 9.556 5.911 -1.692 1.00 0.00 C ATOM 95 O GLN A 12 10.770 6.042 -1.514 1.00 0.00 O ATOM 96 CB GLN A 12 9.419 4.288 0.253 1.00 0.00 C ATOM 97 CG GLN A 12 9.916 5.065 1.471 1.00 0.00 C ATOM 98 CD GLN A 12 8.762 5.752 2.219 1.00 0.00 C ATOM 99 OE1 GLN A 12 8.898 6.875 2.683 1.00 0.00 O ATOM 100 NE2 GLN A 12 7.644 5.076 2.392 1.00 0.00 N ATOM 0 H GLN A 12 8.709 3.096 -1.605 1.00 0.00 H new ATOM 0 HA GLN A 12 7.898 5.708 -0.461 1.00 0.00 H new ATOM 0 HB2 GLN A 12 8.778 3.485 0.617 1.00 0.00 H new ATOM 0 HB3 GLN A 12 10.286 3.818 -0.211 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.435 4.387 2.148 1.00 0.00 H new ATOM 0 HG3 GLN A 12 10.641 5.815 1.153 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.548 4.140 1.998 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.875 5.489 2.920 1.00 0.00 H new ATOM 124 N SER A 16 1.267 11.555 -6.595 1.00 0.00 N ATOM 125 CA SER A 16 0.651 12.533 -5.666 1.00 0.00 C ATOM 126 C SER A 16 -0.872 12.560 -5.965 1.00 0.00 C ATOM 127 O SER A 16 -1.445 11.483 -6.100 1.00 0.00 O ATOM 128 CB SER A 16 1.303 13.924 -5.834 1.00 0.00 C ATOM 129 OG SER A 16 1.177 14.391 -7.174 1.00 0.00 O ATOM 0 HA SER A 16 0.812 12.244 -4.627 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.834 14.634 -5.153 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.357 13.870 -5.562 1.00 0.00 H new ATOM 0 HG SER A 16 1.150 13.626 -7.786 1.00 0.00 H new ATOM 130 N GLY A 17 -1.445 13.740 -6.197 1.00 0.00 N ATOM 131 CA GLY A 17 -2.866 14.010 -6.533 1.00 0.00 C ATOM 132 C GLY A 17 -3.805 12.938 -5.983 1.00 0.00 C ATOM 133 O GLY A 17 -4.452 12.200 -6.728 1.00 0.00 O ATOM 0 H GLY A 17 -0.901 14.602 -6.155 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.153 14.982 -6.132 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.977 14.066 -7.616 1.00 0.00 H new ATOM 134 N TYR A 18 -3.832 12.885 -4.649 1.00 0.00 N ATOM 135 CA TYR A 18 -4.361 11.704 -3.965 1.00 0.00 C ATOM 136 C TYR A 18 -5.619 11.922 -3.119 1.00 0.00 C ATOM 137 O TYR A 18 -5.954 13.028 -2.715 1.00 0.00 O ATOM 138 CB TYR A 18 -3.267 10.913 -3.217 1.00 0.00 C ATOM 139 CG TYR A 18 -2.699 11.617 -1.993 1.00 0.00 C ATOM 140 CD1 TYR A 18 -1.706 12.600 -2.186 1.00 0.00 C ATOM 141 CD2 TYR A 18 -3.245 11.305 -0.730 1.00 0.00 C ATOM 142 CE1 TYR A 18 -1.294 13.358 -1.082 1.00 0.00 C ATOM 143 CE2 TYR A 18 -2.818 12.047 0.376 1.00 0.00 C ATOM 144 CZ TYR A 18 -1.852 13.054 0.191 1.00 0.00 C ATOM 145 OH TYR A 18 -1.246 13.595 1.284 1.00 0.00 O ATOM 0 H TYR A 18 -3.502 13.628 -4.033 1.00 0.00 H new ATOM 0 HA TYR A 18 -4.718 11.077 -4.782 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.679 9.952 -2.908 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -2.452 10.703 -3.909 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.273 12.765 -3.162 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.973 10.515 -0.620 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -0.571 14.153 -1.194 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.223 11.850 1.357 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.290 12.961 2.030 1.00 0.00 H new ATOM 146 N HIS A 19 -5.960 10.785 -2.539 1.00 0.00 N ATOM 147 CA HIS A 19 -7.299 10.397 -2.109 1.00 0.00 C ATOM 148 C HIS A 19 -7.273 10.015 -0.616 1.00 0.00 C ATOM 149 O HIS A 19 -6.216 9.690 -0.063 1.00 0.00 O ATOM 150 CB HIS A 19 -7.638 9.146 -2.926 1.00 0.00 C ATOM 151 CG HIS A 19 -7.626 9.391 -4.450 1.00 0.00 C ATOM 152 ND1 HIS A 19 -6.545 9.357 -5.223 1.00 0.00 N flip ATOM 153 CD2 HIS A 19 -8.638 9.841 -5.188 1.00 0.00 C flip ATOM 154 CE1 HIS A 19 -6.871 9.852 -6.413 1.00 0.00 C flip ATOM 155 NE2 HIS A 19 -8.172 10.134 -6.394 1.00 0.00 N flip ATOM 0 H HIS A 19 -5.269 10.061 -2.342 1.00 0.00 H new ATOM 0 HA HIS A 19 -8.019 11.203 -2.251 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -6.923 8.359 -2.686 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -8.623 8.783 -2.631 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -9.662 9.949 -4.861 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -6.200 9.999 -7.246 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -8.715 10.510 -7.171 1.00 0.00 H new ATOM 156 N TYR A 20 -8.446 10.140 0.007 1.00 0.00 N ATOM 157 CA TYR A 20 -8.779 9.610 1.351 1.00 0.00 C ATOM 158 C TYR A 20 -8.135 10.343 2.537 1.00 0.00 C ATOM 159 O TYR A 20 -8.835 11.086 3.222 1.00 0.00 O ATOM 160 CB TYR A 20 -8.544 8.091 1.433 1.00 0.00 C ATOM 161 CG TYR A 20 -9.135 7.231 0.295 1.00 0.00 C ATOM 162 CD1 TYR A 20 -10.438 7.502 -0.206 1.00 0.00 C ATOM 163 CD2 TYR A 20 -8.250 6.381 -0.397 1.00 0.00 C ATOM 164 CE1 TYR A 20 -10.817 6.943 -1.439 1.00 0.00 C ATOM 165 CE2 TYR A 20 -8.644 5.798 -1.609 1.00 0.00 C ATOM 166 CZ TYR A 20 -9.907 6.120 -2.141 1.00 0.00 C ATOM 167 OH TYR A 20 -10.171 5.867 -3.454 1.00 0.00 O ATOM 0 H TYR A 20 -9.230 10.633 -0.421 1.00 0.00 H new ATOM 0 HA TYR A 20 -9.844 9.813 1.459 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -7.469 7.915 1.468 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -8.956 7.734 2.377 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -11.123 8.125 0.350 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -7.269 6.179 0.006 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -11.797 7.141 -1.847 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -7.989 5.113 -2.127 1.00 0.00 H new ATOM 0 HH TYR A 20 -11.140 5.880 -3.601 1.00 0.00 H new ATOM 168 N GLY A 21 -6.809 10.261 2.639 1.00 0.00 N ATOM 169 CA GLY A 21 -6.064 10.821 3.788 1.00 0.00 C ATOM 170 C GLY A 21 -4.827 10.032 4.261 1.00 0.00 C ATOM 171 O GLY A 21 -4.807 9.416 5.323 1.00 0.00 O ATOM 0 H GLY A 21 -6.217 9.811 1.940 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -5.745 11.830 3.528 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.752 10.911 4.629 1.00 0.00 H new ATOM 172 N VAL A 22 -3.892 9.940 3.335 1.00 0.00 N ATOM 173 CA VAL A 22 -2.511 9.420 3.501 1.00 0.00 C ATOM 174 C VAL A 22 -1.545 10.468 2.933 1.00 0.00 C ATOM 175 O VAL A 22 -1.724 11.676 3.128 1.00 0.00 O ATOM 176 CB VAL A 22 -2.504 7.976 2.918 1.00 0.00 C ATOM 177 CG1 VAL A 22 -3.013 7.878 1.487 1.00 0.00 C ATOM 178 CG2 VAL A 22 -1.233 7.211 2.760 1.00 0.00 C ATOM 0 H VAL A 22 -4.069 10.241 2.377 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.157 9.293 4.524 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.115 7.559 3.718 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.975 6.840 1.158 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.042 8.236 1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.387 8.488 0.836 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.449 6.230 2.338 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.562 7.753 2.094 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.758 7.090 3.733 1.00 0.00 H new ATOM 179 N SER A 23 -0.425 9.993 2.413 1.00 0.00 N ATOM 180 CA SER A 23 0.166 10.589 1.209 1.00 0.00 C ATOM 181 C SER A 23 0.121 9.467 0.168 1.00 0.00 C ATOM 182 O SER A 23 0.447 8.342 0.526 1.00 0.00 O ATOM 183 CB SER A 23 1.625 11.002 1.344 1.00 0.00 C ATOM 184 OG SER A 23 1.823 12.025 0.372 1.00 0.00 O ATOM 0 H SER A 23 0.095 9.204 2.796 1.00 0.00 H new ATOM 0 HA SER A 23 -0.385 11.498 0.969 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.838 11.368 2.348 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.290 10.157 1.165 1.00 0.00 H new ATOM 0 HG SER A 23 2.252 12.799 0.794 1.00 0.00 H new ATOM 185 N ALA A 24 -0.526 9.650 -0.972 1.00 0.00 N ATOM 186 CA ALA A 24 -0.558 8.546 -1.943 1.00 0.00 C ATOM 187 C ALA A 24 0.008 8.835 -3.325 1.00 0.00 C ATOM 188 O ALA A 24 -0.338 9.802 -3.987 1.00 0.00 O ATOM 189 CB ALA A 24 -1.883 7.748 -2.014 1.00 0.00 C ATOM 0 H ALA A 24 -1.015 10.502 -1.248 1.00 0.00 H new ATOM 0 HA ALA A 24 0.168 7.877 -1.481 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.793 6.960 -2.762 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.092 7.303 -1.041 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.697 8.418 -2.289 1.00 0.00 H new ATOM 190 N CYS A 25 0.459 7.693 -3.812 1.00 0.00 N ATOM 191 CA CYS A 25 1.221 7.514 -5.062 1.00 0.00 C ATOM 192 C CYS A 25 0.310 7.536 -6.306 1.00 0.00 C ATOM 193 O CYS A 25 0.798 7.549 -7.428 1.00 0.00 O ATOM 194 CB CYS A 25 1.747 6.098 -4.922 1.00 0.00 C ATOM 195 SG CYS A 25 2.682 5.255 -6.253 1.00 0.00 S ATOM 0 H CYS A 25 0.301 6.809 -3.329 1.00 0.00 H new ATOM 0 HA CYS A 25 1.968 8.297 -5.193 1.00 0.00 H new ATOM 0 HB2 CYS A 25 2.386 6.089 -4.039 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.887 5.467 -4.699 1.00 0.00 H new ATOM 0 HG CYS A 25 2.354 5.765 -7.403 1.00 0.00 H new ATOM 196 N GLU A 26 -0.965 7.809 -6.035 1.00 0.00 N ATOM 197 CA GLU A 26 -2.186 7.708 -6.896 1.00 0.00 C ATOM 198 C GLU A 26 -2.328 6.370 -7.630 1.00 0.00 C ATOM 199 O GLU A 26 -3.356 5.716 -7.504 1.00 0.00 O ATOM 200 CB GLU A 26 -2.441 8.968 -7.748 1.00 0.00 C ATOM 201 CG GLU A 26 -1.355 9.326 -8.769 1.00 0.00 C ATOM 202 CD GLU A 26 -1.505 10.771 -9.256 1.00 0.00 C ATOM 203 OE1 GLU A 26 -2.464 11.028 -10.012 1.00 0.00 O ATOM 204 OE2 GLU A 26 -0.616 11.574 -8.883 1.00 0.00 O ATOM 0 H GLU A 26 -1.217 8.146 -5.106 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.029 7.691 -6.206 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.382 8.836 -8.281 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.572 9.816 -7.075 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.371 9.192 -8.319 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.413 8.646 -9.619 1.00 0.00 H new ATOM 205 N GLY A 27 -1.192 5.871 -8.107 1.00 0.00 N ATOM 206 CA GLY A 27 -0.952 4.454 -8.420 1.00 0.00 C ATOM 207 C GLY A 27 -1.249 3.576 -7.189 1.00 0.00 C ATOM 208 O GLY A 27 -1.861 2.529 -7.347 1.00 0.00 O ATOM 0 H GLY A 27 -0.380 6.458 -8.295 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.583 4.147 -9.255 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.082 4.314 -8.734 1.00 0.00 H new ATOM 209 N CYS A 28 -0.944 4.072 -5.987 1.00 0.00 N ATOM 210 CA CYS A 28 -1.340 3.363 -4.758 1.00 0.00 C ATOM 211 C CYS A 28 -2.823 3.325 -4.411 1.00 0.00 C ATOM 212 O CYS A 28 -3.294 2.267 -4.011 1.00 0.00 O ATOM 213 CB CYS A 28 -0.489 3.449 -3.522 1.00 0.00 C ATOM 214 SG CYS A 28 0.889 2.261 -3.766 1.00 0.00 S ATOM 0 H CYS A 28 -0.435 4.943 -5.835 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.077 2.388 -5.168 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.110 4.461 -3.380 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.067 3.197 -2.633 1.00 0.00 H new ATOM 0 HG CYS A 28 1.963 2.720 -3.196 1.00 0.00 H new ATOM 215 N LYS A 29 -3.551 4.423 -4.626 1.00 0.00 N ATOM 216 CA LYS A 29 -5.031 4.376 -4.619 1.00 0.00 C ATOM 217 C LYS A 29 -5.550 3.354 -5.655 1.00 0.00 C ATOM 218 O LYS A 29 -6.389 2.514 -5.322 1.00 0.00 O ATOM 219 CB LYS A 29 -5.582 5.753 -4.959 1.00 0.00 C ATOM 220 CG LYS A 29 -7.102 5.830 -4.769 1.00 0.00 C ATOM 221 CD LYS A 29 -7.848 6.238 -6.034 1.00 0.00 C ATOM 222 CE LYS A 29 -8.410 5.044 -6.814 1.00 0.00 C ATOM 223 NZ LYS A 29 -9.499 4.421 -6.051 1.00 0.00 N ATOM 0 H LYS A 29 -3.156 5.346 -4.805 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.364 4.072 -3.627 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.100 6.501 -4.330 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.333 5.997 -5.992 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.469 4.859 -4.436 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.326 6.544 -3.977 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.666 6.907 -5.766 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.174 6.801 -6.680 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.777 5.373 -7.786 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.621 4.316 -7.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.215 3.464 -5.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.704 4.994 -5.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.350 4.363 -6.645 1.00 0.00 H new ATOM 224 N GLY A 30 -4.965 3.400 -6.854 1.00 0.00 N ATOM 225 CA GLY A 30 -5.205 2.429 -7.951 1.00 0.00 C ATOM 226 C GLY A 30 -5.075 0.979 -7.446 1.00 0.00 C ATOM 227 O GLY A 30 -6.094 0.321 -7.249 1.00 0.00 O ATOM 0 H GLY A 30 -4.294 4.126 -7.106 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.200 2.585 -8.367 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.492 2.602 -8.757 1.00 0.00 H new ATOM 228 N PHE A 31 -3.889 0.677 -6.938 1.00 0.00 N ATOM 229 CA PHE A 31 -3.538 -0.578 -6.242 1.00 0.00 C ATOM 230 C PHE A 31 -4.505 -1.001 -5.122 1.00 0.00 C ATOM 231 O PHE A 31 -4.888 -2.157 -5.014 1.00 0.00 O ATOM 232 CB PHE A 31 -2.107 -0.368 -5.738 1.00 0.00 C ATOM 233 CG PHE A 31 -1.592 -1.283 -4.619 1.00 0.00 C ATOM 234 CD1 PHE A 31 -1.041 -2.551 -4.895 1.00 0.00 C ATOM 235 CD2 PHE A 31 -1.848 -0.879 -3.287 1.00 0.00 C ATOM 236 CE1 PHE A 31 -0.790 -3.447 -3.820 1.00 0.00 C ATOM 237 CE2 PHE A 31 -1.642 -1.757 -2.234 1.00 0.00 C ATOM 238 CZ PHE A 31 -1.125 -3.054 -2.500 1.00 0.00 C ATOM 0 H PHE A 31 -3.101 1.322 -6.996 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.619 -1.417 -6.933 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.435 -0.473 -6.590 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.024 0.662 -5.391 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.812 -2.838 -5.911 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.206 0.120 -3.089 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.349 -4.415 -4.007 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.872 -1.458 -1.222 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.986 -3.749 -1.685 1.00 0.00 H new ATOM 239 N PHE A 32 -5.012 0.023 -4.441 1.00 0.00 N ATOM 240 CA PHE A 32 -5.727 -0.126 -3.163 1.00 0.00 C ATOM 241 C PHE A 32 -7.127 -0.659 -3.501 1.00 0.00 C ATOM 242 O PHE A 32 -7.406 -1.805 -3.178 1.00 0.00 O ATOM 243 CB PHE A 32 -5.682 1.272 -2.546 1.00 0.00 C ATOM 244 CG PHE A 32 -5.411 1.288 -1.062 1.00 0.00 C ATOM 245 CD1 PHE A 32 -4.270 0.620 -0.569 1.00 0.00 C ATOM 246 CD2 PHE A 32 -6.354 1.873 -0.209 1.00 0.00 C ATOM 247 CE1 PHE A 32 -4.146 0.424 0.819 1.00 0.00 C ATOM 248 CE2 PHE A 32 -6.238 1.673 1.148 1.00 0.00 C ATOM 249 CZ PHE A 32 -5.166 0.915 1.662 1.00 0.00 C ATOM 0 H PHE A 32 -4.941 0.990 -4.758 1.00 0.00 H new ATOM 0 HA PHE A 32 -5.310 -0.830 -2.443 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.911 1.854 -3.050 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -6.633 1.771 -2.735 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.506 0.266 -1.245 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.159 2.471 -0.609 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.290 -0.090 1.230 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.969 2.097 1.820 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.125 0.706 2.721 1.00 0.00 H new ATOM 250 N ARG A 33 -7.826 0.032 -4.396 1.00 0.00 N ATOM 251 CA ARG A 33 -9.082 -0.507 -4.967 1.00 0.00 C ATOM 252 C ARG A 33 -8.894 -1.791 -5.780 1.00 0.00 C ATOM 253 O ARG A 33 -9.584 -2.784 -5.553 1.00 0.00 O ATOM 254 CB ARG A 33 -9.881 0.504 -5.792 1.00 0.00 C ATOM 255 CG ARG A 33 -9.260 1.073 -7.074 1.00 0.00 C ATOM 256 CD ARG A 33 -10.385 1.717 -7.876 1.00 0.00 C ATOM 257 NE ARG A 33 -9.855 2.456 -9.030 1.00 0.00 N ATOM 258 CZ ARG A 33 -10.330 3.606 -9.516 1.00 0.00 C ATOM 259 NH1 ARG A 33 -11.391 4.211 -9.011 1.00 0.00 N ATOM 260 NH2 ARG A 33 -9.751 4.156 -10.579 1.00 0.00 N ATOM 0 H ARG A 33 -7.560 0.953 -4.745 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.664 -0.749 -4.078 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.826 0.033 -6.065 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.120 1.345 -5.141 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.490 1.806 -6.835 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.780 0.283 -7.652 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.077 0.948 -8.219 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.951 2.393 -7.236 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.048 2.053 -9.505 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.883 3.800 -8.217 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.718 5.089 -9.415 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.951 3.700 -11.017 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.107 5.034 -10.957 1.00 0.00 H new ATOM 261 N ARG A 34 -7.795 -1.818 -6.522 1.00 0.00 N ATOM 262 CA ARG A 34 -7.473 -2.936 -7.416 1.00 0.00 C ATOM 263 C ARG A 34 -7.342 -4.293 -6.755 1.00 0.00 C ATOM 264 O ARG A 34 -7.614 -5.316 -7.370 1.00 0.00 O ATOM 265 CB ARG A 34 -6.173 -2.598 -8.176 1.00 0.00 C ATOM 266 CG ARG A 34 -5.818 -3.497 -9.371 1.00 0.00 C ATOM 267 CD ARG A 34 -4.501 -4.248 -9.147 1.00 0.00 C ATOM 268 NE ARG A 34 -4.720 -5.441 -8.318 1.00 0.00 N ATOM 269 CZ ARG A 34 -4.079 -5.792 -7.201 1.00 0.00 C ATOM 270 NH1 ARG A 34 -3.168 -5.014 -6.626 1.00 0.00 N ATOM 271 NH2 ARG A 34 -4.248 -7.014 -6.720 1.00 0.00 N ATOM 0 H ARG A 34 -7.100 -1.071 -6.526 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.329 -3.039 -8.083 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.245 -1.571 -8.533 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.346 -2.632 -7.467 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.622 -4.214 -9.538 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.741 -2.889 -10.273 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.074 -4.539 -10.107 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.779 -3.590 -8.663 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.451 -6.079 -8.634 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.936 -4.110 -7.038 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.701 -5.320 -5.772 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.861 -7.672 -7.202 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.765 -7.298 -5.867 1.00 0.00 H new ATOM 272 N SER A 35 -6.837 -4.271 -5.531 1.00 0.00 N ATOM 273 CA SER A 35 -7.072 -5.379 -4.597 1.00 0.00 C ATOM 274 C SER A 35 -8.440 -5.306 -3.950 1.00 0.00 C ATOM 275 O SER A 35 -9.389 -5.913 -4.444 1.00 0.00 O ATOM 276 CB SER A 35 -5.966 -5.412 -3.554 1.00 0.00 C ATOM 277 OG SER A 35 -4.723 -5.836 -4.121 1.00 0.00 O ATOM 0 H SER A 35 -6.268 -3.511 -5.158 1.00 0.00 H new ATOM 0 HA SER A 35 -7.054 -6.309 -5.165 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.848 -4.421 -3.116 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.247 -6.087 -2.745 1.00 0.00 H new ATOM 0 HG SER A 35 -4.054 -5.129 -4.009 1.00 0.00 H new ATOM 278 N ILE A 36 -8.594 -4.349 -3.050 1.00 0.00 N ATOM 279 CA ILE A 36 -9.645 -4.376 -2.023 1.00 0.00 C ATOM 280 C ILE A 36 -11.062 -4.439 -2.573 1.00 0.00 C ATOM 281 O ILE A 36 -11.717 -5.479 -2.433 1.00 0.00 O ATOM 282 CB ILE A 36 -9.509 -3.241 -1.008 1.00 0.00 C ATOM 283 CG1 ILE A 36 -8.122 -3.305 -0.373 1.00 0.00 C ATOM 284 CG2 ILE A 36 -10.510 -3.277 0.142 1.00 0.00 C ATOM 285 CD1 ILE A 36 -7.767 -1.925 0.119 1.00 0.00 C ATOM 0 H ILE A 36 -7.996 -3.524 -3.003 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.478 -5.319 -1.503 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.693 -2.330 -1.578 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.114 -4.017 0.452 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.387 -3.651 -1.099 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.331 -2.432 0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -11.523 -3.218 -0.256 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.392 -4.207 0.698 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.778 -1.945 0.578 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.764 -1.229 -0.720 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.502 -1.601 0.856 1.00 0.00 H new ATOM 286 N GLN A 37 -11.320 -3.504 -3.481 1.00 0.00 N ATOM 287 CA GLN A 37 -12.676 -3.192 -3.926 1.00 0.00 C ATOM 288 C GLN A 37 -13.413 -4.374 -4.574 1.00 0.00 C ATOM 289 O GLN A 37 -14.638 -4.485 -4.533 1.00 0.00 O ATOM 290 CB GLN A 37 -12.490 -2.048 -4.914 1.00 0.00 C ATOM 291 CG GLN A 37 -13.810 -1.422 -5.303 1.00 0.00 C ATOM 292 CD GLN A 37 -13.605 -0.273 -6.290 1.00 0.00 C ATOM 293 OE1 GLN A 37 -13.051 -0.535 -7.456 1.00 0.00 O flip ATOM 294 NE2 GLN A 37 -13.956 0.872 -6.030 1.00 0.00 N flip ATOM 0 H GLN A 37 -10.597 -2.941 -3.929 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.309 -2.935 -3.077 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -11.843 -1.289 -4.474 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -11.986 -2.417 -5.807 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -14.457 -2.178 -5.749 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -14.318 -1.054 -4.412 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -14.386 1.082 -5.129 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -13.819 1.615 -6.715 1.00 0.00 H new ATOM 295 N LYS A 38 -12.578 -5.153 -5.242 1.00 0.00 N ATOM 296 CA LYS A 38 -12.917 -6.282 -6.115 1.00 0.00 C ATOM 297 C LYS A 38 -12.311 -7.641 -5.724 1.00 0.00 C ATOM 298 O LYS A 38 -13.031 -8.547 -5.302 1.00 0.00 O ATOM 299 CB LYS A 38 -12.532 -5.784 -7.515 1.00 0.00 C ATOM 300 CG LYS A 38 -11.108 -5.209 -7.650 1.00 0.00 C ATOM 301 CD LYS A 38 -10.892 -4.408 -8.941 1.00 0.00 C ATOM 302 CE LYS A 38 -11.346 -2.946 -8.810 1.00 0.00 C ATOM 303 NZ LYS A 38 -12.806 -2.815 -8.700 1.00 0.00 N ATOM 0 H LYS A 38 -11.570 -5.008 -5.189 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.974 -6.536 -6.039 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.638 -6.611 -8.217 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.244 -5.016 -7.816 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.901 -4.566 -6.794 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.389 -6.028 -7.615 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.836 -4.434 -9.208 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.439 -4.883 -9.755 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.878 -2.501 -7.932 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.999 -2.383 -9.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.064 -1.808 -8.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.258 -3.274 -9.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.130 -3.271 -7.823 1.00 0.00 H new ATOM 304 N ASN A 39 -10.989 -7.724 -5.801 1.00 0.00 N ATOM 305 CA ASN A 39 -10.248 -8.997 -5.808 1.00 0.00 C ATOM 306 C ASN A 39 -9.008 -9.126 -4.886 1.00 0.00 C ATOM 307 O ASN A 39 -7.946 -9.589 -5.298 1.00 0.00 O ATOM 308 CB ASN A 39 -9.997 -9.370 -7.283 1.00 0.00 C ATOM 309 CG ASN A 39 -9.223 -8.315 -8.070 1.00 0.00 C ATOM 310 OD1 ASN A 39 -9.681 -7.739 -9.040 1.00 0.00 O ATOM 311 ND2 ASN A 39 -8.008 -8.065 -7.658 1.00 0.00 N ATOM 0 H ASN A 39 -10.386 -6.904 -5.861 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.879 -9.738 -5.317 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.448 -10.311 -7.320 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.956 -9.541 -7.772 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.433 -7.381 -8.150 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.635 -8.554 -6.844 1.00 0.00 H new ATOM 312 N MET A 40 -9.210 -8.875 -3.594 1.00 0.00 N ATOM 313 CA MET A 40 -8.131 -9.106 -2.603 1.00 0.00 C ATOM 314 C MET A 40 -8.265 -10.415 -1.846 1.00 0.00 C ATOM 315 O MET A 40 -8.390 -10.553 -0.632 1.00 0.00 O ATOM 316 CB MET A 40 -8.044 -7.936 -1.653 1.00 0.00 C ATOM 317 CG MET A 40 -9.390 -7.638 -0.985 1.00 0.00 C ATOM 318 SD MET A 40 -9.654 -8.199 0.734 1.00 0.00 S ATOM 319 CE MET A 40 -9.077 -6.766 1.613 1.00 0.00 C ATOM 0 H MET A 40 -10.083 -8.520 -3.204 1.00 0.00 H new ATOM 0 HA MET A 40 -7.202 -9.190 -3.167 1.00 0.00 H new ATOM 0 HB2 MET A 40 -7.298 -8.146 -0.887 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.705 -7.053 -2.195 1.00 0.00 H new ATOM 0 HG2 MET A 40 -9.540 -6.559 -1.008 1.00 0.00 H new ATOM 0 HG3 MET A 40 -10.172 -8.081 -1.602 1.00 0.00 H new ATOM 0 HE1 MET A 40 -8.554 -7.080 2.517 1.00 0.00 H new ATOM 0 HE2 MET A 40 -8.396 -6.199 0.978 1.00 0.00 H new ATOM 0 HE3 MET A 40 -9.926 -6.139 1.884 1.00 0.00 H new ATOM 320 N ILE A 41 -7.829 -11.351 -2.654 1.00 0.00 N ATOM 321 CA ILE A 41 -7.783 -12.748 -2.265 1.00 0.00 C ATOM 322 C ILE A 41 -6.307 -13.165 -2.380 1.00 0.00 C ATOM 323 O ILE A 41 -5.765 -13.394 -3.468 1.00 0.00 O ATOM 324 CB ILE A 41 -8.783 -13.506 -3.145 1.00 0.00 C ATOM 325 CG1 ILE A 41 -10.212 -13.101 -2.746 1.00 0.00 C ATOM 326 CG2 ILE A 41 -8.586 -15.036 -3.064 1.00 0.00 C ATOM 327 CD1 ILE A 41 -11.286 -13.453 -3.779 1.00 0.00 C ATOM 0 H ILE A 41 -7.495 -11.170 -3.601 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.090 -12.968 -1.243 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.608 -13.233 -4.186 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.462 -13.585 -1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -10.235 -12.026 -2.569 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.317 -15.531 -3.704 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.580 -15.291 -3.397 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.722 -15.366 -2.034 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.261 -13.131 -3.414 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.066 -12.948 -4.719 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -11.297 -14.531 -3.940 1.00 0.00 H new ATOM 328 N TYR A 42 -5.648 -12.899 -1.251 1.00 0.00 N ATOM 329 CA TYR A 42 -4.187 -12.675 -1.167 1.00 0.00 C ATOM 330 C TYR A 42 -3.441 -13.305 0.018 1.00 0.00 C ATOM 331 O TYR A 42 -2.758 -14.305 -0.175 1.00 0.00 O ATOM 332 CB TYR A 42 -3.907 -11.168 -1.357 1.00 0.00 C ATOM 333 CG TYR A 42 -4.645 -10.115 -0.527 1.00 0.00 C ATOM 334 CD1 TYR A 42 -5.494 -10.362 0.579 1.00 0.00 C ATOM 335 CD2 TYR A 42 -4.356 -8.806 -0.947 1.00 0.00 C ATOM 336 CE1 TYR A 42 -6.030 -9.272 1.286 1.00 0.00 C ATOM 337 CE2 TYR A 42 -4.873 -7.711 -0.250 1.00 0.00 C ATOM 338 CZ TYR A 42 -5.701 -7.962 0.877 1.00 0.00 C ATOM 339 OH TYR A 42 -5.948 -6.921 1.709 1.00 0.00 O ATOM 0 H TYR A 42 -6.115 -12.830 -0.347 1.00 0.00 H new ATOM 0 HA TYR A 42 -3.746 -13.246 -1.984 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.841 -11.018 -1.187 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -4.098 -10.938 -2.405 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -5.726 -11.374 0.875 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -3.731 -8.645 -1.813 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -6.684 -9.435 2.130 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -4.649 -6.701 -0.560 1.00 0.00 H new ATOM 0 HH TYR A 42 -5.141 -6.717 2.226 1.00 0.00 H new ATOM 340 N THR A 43 -3.616 -12.722 1.205 1.00 0.00 N ATOM 341 CA THR A 43 -2.832 -12.966 2.444 1.00 0.00 C ATOM 342 C THR A 43 -1.689 -13.990 2.353 1.00 0.00 C ATOM 343 O THR A 43 -1.810 -15.151 2.743 1.00 0.00 O ATOM 344 CB THR A 43 -3.820 -13.237 3.596 1.00 0.00 C ATOM 345 OG1 THR A 43 -4.807 -12.198 3.573 1.00 0.00 O ATOM 346 CG2 THR A 43 -3.141 -13.262 4.970 1.00 0.00 C ATOM 0 H THR A 43 -4.347 -12.025 1.349 1.00 0.00 H new ATOM 0 HA THR A 43 -2.262 -12.057 2.639 1.00 0.00 H new ATOM 0 HB THR A 43 -4.261 -14.223 3.448 1.00 0.00 H new ATOM 0 HG1 THR A 43 -4.390 -11.345 3.814 1.00 0.00 H new ATOM 0 HG21 THR A 43 -3.887 -13.457 5.741 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.386 -14.048 4.988 1.00 0.00 H new ATOM 0 HG23 THR A 43 -2.667 -12.299 5.159 1.00 0.00 H new ATOM 347 N CYS A 44 -0.526 -13.559 1.873 1.00 0.00 N ATOM 348 CA CYS A 44 -0.211 -12.159 1.469 1.00 0.00 C ATOM 349 C CYS A 44 -0.289 -11.739 -0.017 1.00 0.00 C ATOM 350 O CYS A 44 -0.683 -10.606 -0.279 1.00 0.00 O ATOM 351 CB CYS A 44 1.065 -11.676 2.214 1.00 0.00 C ATOM 352 SG CYS A 44 2.248 -10.622 1.295 1.00 0.00 S ATOM 0 H CYS A 44 0.266 -14.188 1.743 1.00 0.00 H new ATOM 0 HA CYS A 44 -1.087 -11.600 1.799 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.747 -11.127 3.100 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.603 -12.558 2.561 1.00 0.00 H new ATOM 0 HG CYS A 44 3.224 -10.278 2.081 1.00 0.00 H new ATOM 353 N HIS A 45 0.204 -12.484 -1.002 1.00 0.00 N ATOM 354 CA HIS A 45 1.027 -13.695 -0.848 1.00 0.00 C ATOM 355 C HIS A 45 2.416 -13.625 -1.461 1.00 0.00 C ATOM 356 O HIS A 45 2.655 -13.911 -2.640 1.00 0.00 O ATOM 357 CB HIS A 45 0.228 -14.934 -1.306 1.00 0.00 C ATOM 358 CG HIS A 45 0.822 -16.199 -0.678 1.00 0.00 C ATOM 359 ND1 HIS A 45 1.563 -17.095 -1.325 1.00 0.00 N ATOM 360 CD2 HIS A 45 0.901 -16.485 0.621 1.00 0.00 C ATOM 361 CE1 HIS A 45 2.120 -17.909 -0.440 1.00 0.00 C ATOM 362 NE2 HIS A 45 1.708 -17.524 0.766 1.00 0.00 N ATOM 0 H HIS A 45 0.036 -12.254 -1.981 1.00 0.00 H new ATOM 0 HA HIS A 45 1.242 -13.782 0.217 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -0.818 -14.830 -1.017 1.00 0.00 H new ATOM 0 HB3 HIS A 45 0.252 -15.011 -2.393 1.00 0.00 H new ATOM 0 HD2 HIS A 45 0.394 -15.960 1.417 1.00 0.00 H new ATOM 0 HE1 HIS A 45 2.785 -18.732 -0.657 1.00 0.00 H new ATOM 0 HE2 HIS A 45 1.970 -17.957 1.652 1.00 0.00 H new ATOM 363 N ARG A 46 3.218 -12.886 -0.709 1.00 0.00 N ATOM 364 CA ARG A 46 4.614 -13.275 -0.509 1.00 0.00 C ATOM 365 C ARG A 46 4.709 -13.680 0.977 1.00 0.00 C ATOM 366 O ARG A 46 4.275 -14.759 1.380 1.00 0.00 O ATOM 367 CB ARG A 46 5.614 -12.178 -0.918 1.00 0.00 C ATOM 368 CG ARG A 46 5.621 -11.881 -2.415 1.00 0.00 C ATOM 369 CD ARG A 46 6.628 -12.705 -3.223 1.00 0.00 C ATOM 370 NE ARG A 46 6.356 -14.154 -3.146 1.00 0.00 N ATOM 371 CZ ARG A 46 7.117 -15.075 -2.548 1.00 0.00 C ATOM 372 NH1 ARG A 46 8.260 -14.771 -1.950 1.00 0.00 N ATOM 373 NH2 ARG A 46 6.651 -16.312 -2.399 1.00 0.00 N ATOM 0 H ARG A 46 2.937 -12.028 -0.233 1.00 0.00 H new ATOM 0 HA ARG A 46 4.896 -14.104 -1.158 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.377 -11.262 -0.376 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.616 -12.479 -0.612 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.622 -12.061 -2.813 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.837 -10.823 -2.561 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.601 -12.387 -4.265 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.635 -12.506 -2.855 1.00 0.00 H new ATOM 0 HE ARG A 46 5.502 -14.485 -3.594 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.587 -13.805 -1.935 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.813 -15.503 -1.504 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.720 -16.551 -2.740 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.225 -17.022 -1.944 1.00 0.00 H new ATOM 374 N ASP A 47 5.036 -12.692 1.797 1.00 0.00 N ATOM 375 CA ASP A 47 5.034 -12.699 3.260 1.00 0.00 C ATOM 376 C ASP A 47 4.549 -11.318 3.734 1.00 0.00 C ATOM 377 O ASP A 47 4.680 -10.342 2.982 1.00 0.00 O ATOM 378 CB ASP A 47 6.428 -13.080 3.781 1.00 0.00 C ATOM 379 CG ASP A 47 7.579 -12.219 3.240 1.00 0.00 C ATOM 380 OD1 ASP A 47 7.373 -10.994 3.142 1.00 0.00 O ATOM 381 OD2 ASP A 47 8.622 -12.809 2.883 1.00 0.00 O ATOM 0 H ASP A 47 5.335 -11.788 1.430 1.00 0.00 H new ATOM 0 HA ASP A 47 4.354 -13.449 3.664 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.424 -13.013 4.869 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.623 -14.122 3.527 1.00 0.00 H new ATOM 382 N LYS A 48 4.359 -11.147 5.031 1.00 0.00 N ATOM 383 CA LYS A 48 3.888 -9.863 5.570 1.00 0.00 C ATOM 384 C LYS A 48 5.001 -8.948 6.127 1.00 0.00 C ATOM 385 O LYS A 48 4.762 -8.051 6.936 1.00 0.00 O ATOM 386 CB LYS A 48 2.725 -10.046 6.560 1.00 0.00 C ATOM 387 CG LYS A 48 2.951 -11.114 7.642 1.00 0.00 C ATOM 388 CD LYS A 48 1.805 -11.135 8.665 1.00 0.00 C ATOM 389 CE LYS A 48 0.458 -11.525 8.043 1.00 0.00 C ATOM 390 NZ LYS A 48 -0.634 -11.318 8.997 1.00 0.00 N ATOM 0 H LYS A 48 4.519 -11.869 5.733 1.00 0.00 H new ATOM 0 HA LYS A 48 3.502 -9.321 4.707 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.531 -9.091 7.049 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.827 -10.305 5.998 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.039 -12.094 7.174 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.893 -10.920 8.154 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.049 -11.838 9.462 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.716 -10.150 9.124 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.281 -10.931 7.146 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.484 -12.570 7.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.464 -10.940 8.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.881 -12.224 9.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.333 -10.643 9.728 1.00 0.00 H new ATOM 391 N ASN A 49 6.197 -9.124 5.567 1.00 0.00 N ATOM 392 CA ASN A 49 7.321 -8.161 5.661 1.00 0.00 C ATOM 393 C ASN A 49 7.769 -7.559 4.310 1.00 0.00 C ATOM 394 O ASN A 49 8.752 -6.820 4.248 1.00 0.00 O ATOM 395 CB ASN A 49 8.519 -8.833 6.357 1.00 0.00 C ATOM 396 CG ASN A 49 9.083 -10.015 5.557 1.00 0.00 C ATOM 397 OD1 ASN A 49 8.598 -11.137 5.638 1.00 0.00 O ATOM 398 ND2 ASN A 49 9.965 -9.717 4.629 1.00 0.00 N ATOM 0 H ASN A 49 6.428 -9.954 5.021 1.00 0.00 H new ATOM 0 HA ASN A 49 6.947 -7.321 6.247 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.306 -8.095 6.510 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.212 -9.181 7.344 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.259 -10.427 3.958 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.356 -8.776 4.580 1.00 0.00 H new ATOM 399 N CYS A 50 7.235 -8.141 3.241 1.00 0.00 N ATOM 400 CA CYS A 50 7.402 -7.787 1.809 1.00 0.00 C ATOM 401 C CYS A 50 7.340 -6.253 1.704 1.00 0.00 C ATOM 402 O CYS A 50 6.310 -5.664 1.991 1.00 0.00 O ATOM 403 CB CYS A 50 6.204 -8.452 1.126 1.00 0.00 C ATOM 404 SG CYS A 50 6.098 -8.692 -0.681 1.00 0.00 S ATOM 0 H CYS A 50 6.617 -8.945 3.349 1.00 0.00 H new ATOM 0 HA CYS A 50 8.339 -8.112 1.358 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.100 -9.439 1.576 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.325 -7.876 1.414 1.00 0.00 H new ATOM 0 HG CYS A 50 5.937 -7.541 -1.263 1.00 0.00 H new ATOM 405 N VAL A 51 8.420 -5.670 1.192 1.00 0.00 N ATOM 406 CA VAL A 51 8.879 -4.310 1.549 1.00 0.00 C ATOM 407 C VAL A 51 8.720 -3.398 0.336 1.00 0.00 C ATOM 408 O VAL A 51 9.208 -3.734 -0.728 1.00 0.00 O ATOM 409 CB VAL A 51 10.408 -4.271 1.715 1.00 0.00 C ATOM 410 CG1 VAL A 51 10.762 -3.124 2.638 1.00 0.00 C ATOM 411 CG2 VAL A 51 11.007 -5.480 2.390 1.00 0.00 C ATOM 0 H VAL A 51 9.018 -6.128 0.505 1.00 0.00 H new ATOM 0 HA VAL A 51 8.322 -4.025 2.442 1.00 0.00 H new ATOM 0 HB VAL A 51 10.797 -4.197 0.699 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.843 -3.081 2.767 1.00 0.00 H new ATOM 0 HG12 VAL A 51 10.411 -2.187 2.205 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.287 -3.277 3.607 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.088 -5.359 2.461 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.587 -5.583 3.391 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.779 -6.372 1.807 1.00 0.00 H new ATOM 412 N ILE A 52 8.192 -2.209 0.567 1.00 0.00 N ATOM 413 CA ILE A 52 8.391 -1.114 -0.408 1.00 0.00 C ATOM 414 C ILE A 52 8.868 0.231 0.151 1.00 0.00 C ATOM 415 O ILE A 52 8.663 1.248 -0.498 1.00 0.00 O ATOM 416 CB ILE A 52 7.448 -1.015 -1.617 1.00 0.00 C ATOM 417 CG1 ILE A 52 6.219 -1.935 -1.718 1.00 0.00 C ATOM 418 CG2 ILE A 52 8.335 -1.119 -2.865 1.00 0.00 C ATOM 419 CD1 ILE A 52 6.506 -3.431 -1.844 1.00 0.00 C ATOM 0 H ILE A 52 7.638 -1.966 1.388 1.00 0.00 H new ATOM 0 HA ILE A 52 9.279 -1.524 -0.889 1.00 0.00 H new ATOM 0 HB ILE A 52 6.935 -0.061 -1.497 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.600 -1.778 -0.835 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.629 -1.625 -2.580 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.714 -1.054 -3.759 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.059 -0.304 -2.866 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.863 -2.073 -2.858 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.565 -3.978 -1.908 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.094 -3.614 -2.744 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.064 -3.769 -0.971 1.00 0.00 H new ATOM 420 N ASN A 53 9.994 0.090 0.849 1.00 0.00 N ATOM 421 CA ASN A 53 10.748 1.266 1.327 1.00 0.00 C ATOM 422 C ASN A 53 11.913 1.513 0.355 1.00 0.00 C ATOM 423 O ASN A 53 11.654 1.538 -0.850 1.00 0.00 O ATOM 424 CB ASN A 53 11.153 1.131 2.805 1.00 0.00 C ATOM 425 CG ASN A 53 12.049 -0.069 3.152 1.00 0.00 C ATOM 426 OD1 ASN A 53 12.627 -0.707 2.165 1.00 0.00 O flip ATOM 427 ND2 ASN A 53 12.266 -0.387 4.309 1.00 0.00 N flip ATOM 0 H ASN A 53 10.406 -0.809 1.097 1.00 0.00 H new ATOM 0 HA ASN A 53 10.120 2.157 1.321 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.669 2.043 3.104 1.00 0.00 H new ATOM 0 HB3 ASN A 53 10.245 1.067 3.405 1.00 0.00 H new ATOM 0 HD21 ASN A 53 11.811 0.116 5.070 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.903 -1.156 4.516 1.00 0.00 H new ATOM 428 N LYS A 54 13.172 1.600 0.797 1.00 0.00 N ATOM 429 CA LYS A 54 14.293 1.629 -0.157 1.00 0.00 C ATOM 430 C LYS A 54 15.322 0.476 -0.137 1.00 0.00 C ATOM 431 O LYS A 54 15.898 0.155 -1.178 1.00 0.00 O ATOM 432 CB LYS A 54 15.033 2.983 -0.118 1.00 0.00 C ATOM 433 CG LYS A 54 14.120 4.168 -0.465 1.00 0.00 C ATOM 434 CD LYS A 54 14.839 5.504 -0.286 1.00 0.00 C ATOM 435 CE LYS A 54 13.919 6.703 -0.544 1.00 0.00 C ATOM 436 NZ LYS A 54 12.895 6.840 0.496 1.00 0.00 N ATOM 0 H LYS A 54 13.440 1.650 1.780 1.00 0.00 H new ATOM 0 HA LYS A 54 13.766 1.476 -1.099 1.00 0.00 H new ATOM 0 HB2 LYS A 54 15.455 3.133 0.876 1.00 0.00 H new ATOM 0 HB3 LYS A 54 15.868 2.956 -0.818 1.00 0.00 H new ATOM 0 HG2 LYS A 54 13.777 4.074 -1.495 1.00 0.00 H new ATOM 0 HG3 LYS A 54 13.234 4.143 0.169 1.00 0.00 H new ATOM 0 HD2 LYS A 54 15.237 5.566 0.727 1.00 0.00 H new ATOM 0 HD3 LYS A 54 15.690 5.549 -0.966 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.515 7.615 -0.589 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.437 6.589 -1.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.955 6.889 0.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.935 6.019 1.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.067 7.709 1.040 1.00 0.00 H new ATOM 437 N VAL A 55 15.284 -0.343 0.913 1.00 0.00 N ATOM 438 CA VAL A 55 16.008 -1.638 0.986 1.00 0.00 C ATOM 439 C VAL A 55 14.900 -2.694 0.827 1.00 0.00 C ATOM 440 O VAL A 55 14.201 -3.087 1.757 1.00 0.00 O ATOM 441 CB VAL A 55 16.629 -1.792 2.364 1.00 0.00 C ATOM 442 CG1 VAL A 55 17.407 -3.102 2.460 1.00 0.00 C ATOM 443 CG2 VAL A 55 17.610 -0.683 2.765 1.00 0.00 C ATOM 0 H VAL A 55 14.746 -0.135 1.754 1.00 0.00 H new ATOM 0 HA VAL A 55 16.798 -1.721 0.240 1.00 0.00 H new ATOM 0 HB VAL A 55 15.773 -1.753 3.038 1.00 0.00 H new ATOM 0 HG11 VAL A 55 17.844 -3.194 3.454 1.00 0.00 H new ATOM 0 HG12 VAL A 55 16.733 -3.940 2.281 1.00 0.00 H new ATOM 0 HG13 VAL A 55 18.201 -3.109 1.713 1.00 0.00 H new ATOM 0 HG21 VAL A 55 17.998 -0.884 3.764 1.00 0.00 H new ATOM 0 HG22 VAL A 55 18.436 -0.653 2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 55 17.094 0.277 2.763 1.00 0.00 H new ATOM 444 N THR A 56 14.545 -2.689 -0.442 1.00 0.00 N ATOM 445 CA THR A 56 13.187 -3.060 -0.865 1.00 0.00 C ATOM 446 C THR A 56 12.885 -4.198 -1.867 1.00 0.00 C ATOM 447 O THR A 56 13.552 -5.234 -1.908 1.00 0.00 O ATOM 448 CB THR A 56 12.577 -1.691 -1.238 1.00 0.00 C ATOM 449 OG1 THR A 56 11.245 -1.725 -0.804 1.00 0.00 O ATOM 450 CG2 THR A 56 12.645 -1.240 -2.689 1.00 0.00 C ATOM 0 H THR A 56 15.170 -2.434 -1.207 1.00 0.00 H new ATOM 0 HA THR A 56 12.731 -3.611 -0.042 1.00 0.00 H new ATOM 0 HB THR A 56 13.199 -0.943 -0.747 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.189 -2.217 0.042 1.00 0.00 H new ATOM 0 HG21 THR A 56 12.175 -0.262 -2.788 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.687 -1.175 -3.001 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.121 -1.959 -3.319 1.00 0.00 H new ATOM 451 N ARG A 57 11.585 -4.151 -2.157 1.00 0.00 N ATOM 452 CA ARG A 57 10.717 -4.889 -3.112 1.00 0.00 C ATOM 453 C ARG A 57 11.270 -6.206 -3.697 1.00 0.00 C ATOM 454 O ARG A 57 12.157 -6.204 -4.549 1.00 0.00 O ATOM 455 CB ARG A 57 9.981 -3.982 -4.050 1.00 0.00 C ATOM 456 CG ARG A 57 10.794 -3.299 -5.158 1.00 0.00 C ATOM 457 CD ARG A 57 9.840 -2.510 -6.060 1.00 0.00 C ATOM 458 NE ARG A 57 10.392 -2.400 -7.423 1.00 0.00 N ATOM 459 CZ ARG A 57 9.823 -2.849 -8.540 1.00 0.00 C ATOM 460 NH1 ARG A 57 8.639 -3.449 -8.533 1.00 0.00 N ATOM 461 NH2 ARG A 57 10.457 -2.757 -9.698 1.00 0.00 N ATOM 0 H ARG A 57 11.010 -3.483 -1.644 1.00 0.00 H new ATOM 0 HA ARG A 57 9.937 -5.319 -2.484 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.187 -4.560 -4.523 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.500 -3.204 -3.457 1.00 0.00 H new ATOM 0 HG2 ARG A 57 11.539 -2.633 -4.723 1.00 0.00 H new ATOM 0 HG3 ARG A 57 11.335 -4.044 -5.742 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.869 -3.004 -6.093 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.677 -1.515 -5.646 1.00 0.00 H new ATOM 0 HE ARG A 57 11.295 -1.936 -7.519 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.138 -3.577 -7.654 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.231 -3.782 -9.407 1.00 0.00 H new ATOM 0 HH21 ARG A 57 11.387 -2.340 -9.739 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.016 -3.103 -10.550 1.00 0.00 H new ATOM 462 N ASN A 58 10.776 -7.372 -3.262 1.00 0.00 N ATOM 463 CA ASN A 58 9.772 -7.654 -2.201 1.00 0.00 C ATOM 464 C ASN A 58 8.384 -6.992 -2.384 1.00 0.00 C ATOM 465 O ASN A 58 7.861 -6.353 -1.475 1.00 0.00 O ATOM 466 CB ASN A 58 10.319 -7.350 -0.798 1.00 0.00 C ATOM 467 CG ASN A 58 11.513 -8.205 -0.364 1.00 0.00 C ATOM 468 OD1 ASN A 58 11.367 -9.291 0.172 1.00 0.00 O ATOM 469 ND2 ASN A 58 12.714 -7.715 -0.565 1.00 0.00 N ATOM 0 H ASN A 58 11.098 -8.243 -3.684 1.00 0.00 H new ATOM 0 HA ASN A 58 9.595 -8.724 -2.309 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.611 -6.301 -0.759 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.515 -7.484 -0.075 1.00 0.00 H new ATOM 0 HD21 ASN A 58 13.536 -8.243 -0.272 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.825 -6.806 -1.014 1.00 0.00 H new ATOM 470 N ARG A 59 7.775 -7.133 -3.557 1.00 0.00 N ATOM 471 CA ARG A 59 6.550 -6.404 -3.876 1.00 0.00 C ATOM 472 C ARG A 59 5.354 -7.354 -4.114 1.00 0.00 C ATOM 473 O ARG A 59 5.466 -8.371 -4.813 1.00 0.00 O ATOM 474 CB ARG A 59 6.749 -5.443 -5.025 1.00 0.00 C ATOM 475 CG ARG A 59 6.862 -5.955 -6.479 1.00 0.00 C ATOM 476 CD ARG A 59 8.112 -6.779 -6.815 1.00 0.00 C ATOM 477 NE ARG A 59 7.988 -8.138 -6.255 1.00 0.00 N ATOM 478 CZ ARG A 59 8.957 -8.929 -5.814 1.00 0.00 C ATOM 479 NH1 ARG A 59 10.242 -8.609 -5.933 1.00 0.00 N ATOM 480 NH2 ARG A 59 8.648 -9.941 -5.018 1.00 0.00 N ATOM 0 H ARG A 59 8.108 -7.744 -4.302 1.00 0.00 H new ATOM 0 HA ARG A 59 6.303 -5.803 -3.001 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.919 -4.737 -4.998 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.656 -4.877 -4.814 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.983 -6.562 -6.697 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.829 -5.095 -7.148 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.242 -6.833 -7.896 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.999 -6.290 -6.411 1.00 0.00 H new ATOM 0 HE ARG A 59 7.042 -8.515 -6.200 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.510 -7.730 -6.375 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.960 -9.243 -5.582 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.677 -10.103 -4.753 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.381 -10.559 -4.670 1.00 0.00 H new ATOM 481 N CYS A 60 4.303 -7.084 -3.352 1.00 0.00 N ATOM 482 CA CYS A 60 3.057 -7.878 -3.359 1.00 0.00 C ATOM 483 C CYS A 60 1.874 -7.017 -2.861 1.00 0.00 C ATOM 484 O CYS A 60 2.074 -5.852 -2.497 1.00 0.00 O ATOM 485 CB CYS A 60 3.286 -9.024 -2.373 1.00 0.00 C ATOM 486 SG CYS A 60 2.052 -10.334 -2.225 1.00 0.00 S ATOM 0 H CYS A 60 4.280 -6.300 -2.700 1.00 0.00 H new ATOM 0 HA CYS A 60 2.822 -8.234 -4.362 1.00 0.00 H new ATOM 0 HB2 CYS A 60 4.233 -9.496 -2.636 1.00 0.00 H new ATOM 0 HB3 CYS A 60 3.413 -8.583 -1.384 1.00 0.00 H new ATOM 0 HG CYS A 60 1.865 -10.614 -0.969 1.00 0.00 H new ATOM 487 N GLN A 61 0.711 -7.642 -2.682 1.00 0.00 N ATOM 488 CA GLN A 61 -0.489 -6.903 -2.229 1.00 0.00 C ATOM 489 C GLN A 61 -0.624 -6.695 -0.732 1.00 0.00 C ATOM 490 O GLN A 61 -0.113 -5.697 -0.236 1.00 0.00 O ATOM 491 CB GLN A 61 -1.806 -7.488 -2.771 1.00 0.00 C ATOM 492 CG GLN A 61 -1.801 -8.150 -4.152 1.00 0.00 C ATOM 493 CD GLN A 61 -1.350 -9.614 -4.133 1.00 0.00 C ATOM 494 OE1 GLN A 61 -0.827 -10.163 -3.172 1.00 0.00 O ATOM 495 NE2 GLN A 61 -1.543 -10.303 -5.241 1.00 0.00 N ATOM 0 H GLN A 61 0.565 -8.639 -2.838 1.00 0.00 H new ATOM 0 HA GLN A 61 -0.312 -5.920 -2.664 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.161 -8.226 -2.052 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.541 -6.684 -2.792 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.804 -8.094 -4.575 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.144 -7.585 -4.813 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.978 -9.858 -6.049 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.258 -11.281 -5.290 1.00 0.00 H new ATOM 496 N TYR A 62 -1.132 -7.692 -0.016 1.00 0.00 N ATOM 497 CA TYR A 62 -1.603 -7.529 1.379 1.00 0.00 C ATOM 498 C TYR A 62 -0.581 -6.897 2.306 1.00 0.00 C ATOM 499 O TYR A 62 -0.823 -5.794 2.764 1.00 0.00 O ATOM 500 CB TYR A 62 -2.070 -8.915 1.845 1.00 0.00 C ATOM 501 CG TYR A 62 -2.297 -9.094 3.356 1.00 0.00 C ATOM 502 CD1 TYR A 62 -1.209 -9.489 4.155 1.00 0.00 C ATOM 503 CD2 TYR A 62 -3.607 -8.990 3.895 1.00 0.00 C ATOM 504 CE1 TYR A 62 -1.411 -9.816 5.504 1.00 0.00 C ATOM 505 CE2 TYR A 62 -3.816 -9.330 5.244 1.00 0.00 C ATOM 506 CZ TYR A 62 -2.722 -9.745 6.034 1.00 0.00 C ATOM 507 OH TYR A 62 -2.941 -10.227 7.290 1.00 0.00 O ATOM 0 H TYR A 62 -1.234 -8.641 -0.375 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.426 -6.815 1.412 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -3.001 -9.151 1.330 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.332 -9.649 1.522 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.218 -9.541 3.730 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -4.429 -8.655 3.279 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.582 -10.116 6.127 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.806 -9.274 5.672 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.886 -10.112 7.524 1.00 0.00 H new ATOM 508 N CYS A 63 0.642 -7.381 2.212 1.00 0.00 N ATOM 509 CA CYS A 63 1.822 -6.804 2.889 1.00 0.00 C ATOM 510 C CYS A 63 1.904 -5.276 2.900 1.00 0.00 C ATOM 511 O CYS A 63 1.847 -4.658 3.960 1.00 0.00 O ATOM 512 CB CYS A 63 3.026 -7.405 2.139 1.00 0.00 C ATOM 513 SG CYS A 63 2.945 -7.129 0.328 1.00 0.00 S ATOM 0 H CYS A 63 0.864 -8.205 1.654 1.00 0.00 H new ATOM 0 HA CYS A 63 1.781 -7.051 3.950 1.00 0.00 H new ATOM 0 HB2 CYS A 63 3.946 -6.968 2.528 1.00 0.00 H new ATOM 0 HB3 CYS A 63 3.074 -8.476 2.337 1.00 0.00 H new ATOM 0 HG CYS A 63 4.036 -7.568 -0.227 1.00 0.00 H new ATOM 514 N ARG A 64 1.719 -4.691 1.712 1.00 0.00 N ATOM 515 CA ARG A 64 1.784 -3.232 1.525 1.00 0.00 C ATOM 516 C ARG A 64 0.444 -2.543 1.243 1.00 0.00 C ATOM 517 O ARG A 64 0.387 -1.325 1.393 1.00 0.00 O ATOM 518 CB ARG A 64 2.853 -2.849 0.492 1.00 0.00 C ATOM 519 CG ARG A 64 4.218 -3.445 0.831 1.00 0.00 C ATOM 520 CD ARG A 64 4.803 -3.010 2.179 1.00 0.00 C ATOM 521 NE ARG A 64 5.465 -1.703 2.126 1.00 0.00 N ATOM 522 CZ ARG A 64 6.562 -1.355 2.810 1.00 0.00 C ATOM 523 NH1 ARG A 64 7.205 -2.204 3.590 1.00 0.00 N ATOM 524 NH2 ARG A 64 7.073 -0.134 2.694 1.00 0.00 N ATOM 0 H ARG A 64 1.521 -5.209 0.856 1.00 0.00 H new ATOM 0 HA ARG A 64 2.080 -2.842 2.499 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.543 -3.193 -0.495 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.934 -1.763 0.440 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.134 -4.532 0.823 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.921 -3.174 0.043 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.005 -2.976 2.920 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.519 -3.759 2.516 1.00 0.00 H new ATOM 0 HE ARG A 64 5.054 -0.997 1.515 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.869 -3.162 3.687 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.038 -1.902 4.096 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.629 0.548 2.079 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.909 0.121 3.220 1.00 0.00 H new ATOM 525 N LEU A 65 -0.636 -3.314 1.031 1.00 0.00 N ATOM 526 CA LEU A 65 -1.995 -2.813 1.338 1.00 0.00 C ATOM 527 C LEU A 65 -2.009 -2.357 2.789 1.00 0.00 C ATOM 528 O LEU A 65 -2.049 -1.170 3.031 1.00 0.00 O ATOM 529 CB LEU A 65 -3.077 -3.897 1.281 1.00 0.00 C ATOM 530 CG LEU A 65 -4.039 -4.039 0.123 1.00 0.00 C ATOM 531 CD1 LEU A 65 -4.542 -2.702 -0.403 1.00 0.00 C ATOM 532 CD2 LEU A 65 -3.431 -4.765 -1.058 1.00 0.00 C ATOM 0 H LEU A 65 -0.603 -4.263 0.658 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.206 -2.038 0.601 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.562 -4.853 1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.686 -3.774 2.176 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.864 -4.614 0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.228 -2.872 -1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.061 -2.170 0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.697 -2.105 -0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.167 -4.837 -1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.560 -4.215 -1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.128 -5.766 -0.753 1.00 0.00 H new ATOM 533 N GLN A 66 -1.486 -3.266 3.617 1.00 0.00 N ATOM 534 CA GLN A 66 -1.567 -3.253 5.076 1.00 0.00 C ATOM 535 C GLN A 66 -0.562 -2.299 5.736 1.00 0.00 C ATOM 536 O GLN A 66 -0.899 -1.587 6.680 1.00 0.00 O ATOM 537 CB GLN A 66 -1.540 -4.701 5.556 1.00 0.00 C ATOM 538 CG GLN A 66 -2.778 -5.502 5.048 1.00 0.00 C ATOM 539 CD GLN A 66 -4.138 -4.812 5.036 1.00 0.00 C ATOM 540 OE1 GLN A 66 -4.857 -4.937 3.938 1.00 0.00 O flip ATOM 541 NE2 GLN A 66 -4.605 -4.237 6.010 1.00 0.00 N flip ATOM 0 H GLN A 66 -0.968 -4.072 3.267 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.510 -2.817 5.405 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.627 -5.183 5.207 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.515 -4.723 6.646 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.565 -5.831 4.031 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.867 -6.399 5.661 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.049 -4.140 6.860 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.550 -3.855 5.972 1.00 0.00 H new ATOM 542 N LYS A 67 0.634 -2.206 5.163 1.00 0.00 N ATOM 543 CA LYS A 67 1.557 -1.106 5.513 1.00 0.00 C ATOM 544 C LYS A 67 1.164 0.283 4.999 1.00 0.00 C ATOM 545 O LYS A 67 1.301 1.256 5.740 1.00 0.00 O ATOM 546 CB LYS A 67 3.022 -1.464 5.214 1.00 0.00 C ATOM 547 CG LYS A 67 3.480 -2.637 6.101 1.00 0.00 C ATOM 548 CD LYS A 67 4.958 -2.943 5.921 1.00 0.00 C ATOM 549 CE LYS A 67 5.355 -4.282 6.543 1.00 0.00 C ATOM 550 NZ LYS A 67 4.761 -5.401 5.788 1.00 0.00 N ATOM 0 H LYS A 67 0.992 -2.860 4.467 1.00 0.00 H new ATOM 0 HA LYS A 67 1.456 -1.006 6.594 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.131 -1.731 4.163 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.658 -0.597 5.390 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.284 -2.399 7.146 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.894 -3.524 5.860 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.197 -2.954 4.858 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.549 -2.146 6.372 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.441 -4.378 6.551 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.024 -4.320 7.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.041 -6.302 6.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.724 -5.317 5.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.098 -5.374 4.804 1.00 0.00 H new ATOM 551 N CYS A 68 0.555 0.369 3.815 1.00 0.00 N ATOM 552 CA CYS A 68 -0.095 1.629 3.356 1.00 0.00 C ATOM 553 C CYS A 68 -1.329 1.989 4.206 1.00 0.00 C ATOM 554 O CYS A 68 -1.476 3.127 4.637 1.00 0.00 O ATOM 555 CB CYS A 68 -0.404 1.602 1.860 1.00 0.00 C ATOM 556 SG CYS A 68 0.492 2.877 0.908 1.00 0.00 S ATOM 0 H CYS A 68 0.491 -0.403 3.152 1.00 0.00 H new ATOM 0 HA CYS A 68 0.627 2.431 3.508 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -0.152 0.619 1.463 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -1.476 1.739 1.716 1.00 0.00 H new ATOM 0 HG CYS A 68 -0.237 3.950 0.827 1.00 0.00 H new ATOM 557 N PHE A 69 -2.085 0.956 4.572 1.00 0.00 N ATOM 558 CA PHE A 69 -3.154 0.955 5.587 1.00 0.00 C ATOM 559 C PHE A 69 -2.820 1.431 7.003 1.00 0.00 C ATOM 560 O PHE A 69 -3.705 1.857 7.735 1.00 0.00 O ATOM 561 CB PHE A 69 -3.786 -0.432 5.725 1.00 0.00 C ATOM 562 CG PHE A 69 -4.981 -0.663 4.822 1.00 0.00 C ATOM 563 CD1 PHE A 69 -6.119 0.134 5.094 1.00 0.00 C ATOM 564 CD2 PHE A 69 -5.044 -1.732 3.888 1.00 0.00 C ATOM 565 CE1 PHE A 69 -7.327 -0.109 4.401 1.00 0.00 C ATOM 566 CE2 PHE A 69 -6.238 -1.991 3.216 1.00 0.00 C ATOM 567 CZ PHE A 69 -7.327 -1.142 3.438 1.00 0.00 C ATOM 0 H PHE A 69 -1.966 0.037 4.146 1.00 0.00 H new ATOM 0 HA PHE A 69 -3.825 1.708 5.174 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.030 -1.187 5.508 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.094 -0.577 6.760 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.065 0.924 5.828 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.172 -2.341 3.700 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.215 0.473 4.600 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.320 -2.829 2.539 1.00 0.00 H new ATOM 0 HZ PHE A 69 -8.216 -1.284 2.841 1.00 0.00 H new ATOM 568 N GLU A 70 -1.571 1.253 7.407 1.00 0.00 N ATOM 569 CA GLU A 70 -1.040 1.904 8.622 1.00 0.00 C ATOM 570 C GLU A 70 -1.279 3.429 8.649 1.00 0.00 C ATOM 571 O GLU A 70 -1.406 4.038 9.707 1.00 0.00 O ATOM 572 CB GLU A 70 0.440 1.596 8.752 1.00 0.00 C ATOM 573 CG GLU A 70 0.591 0.123 9.119 1.00 0.00 C ATOM 574 CD GLU A 70 2.020 -0.289 9.473 1.00 0.00 C ATOM 575 OE1 GLU A 70 2.946 0.051 8.706 1.00 0.00 O ATOM 576 OE2 GLU A 70 2.167 -0.987 10.504 1.00 0.00 O ATOM 0 H GLU A 70 -0.896 0.665 6.919 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.586 1.497 9.473 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.956 1.809 7.816 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.894 2.227 9.517 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.060 -0.098 9.965 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.245 -0.486 8.284 1.00 0.00 H new ATOM 577 N VAL A 71 -1.411 3.975 7.445 1.00 0.00 N ATOM 578 CA VAL A 71 -1.797 5.381 7.191 1.00 0.00 C ATOM 579 C VAL A 71 -3.097 5.302 6.366 1.00 0.00 C ATOM 580 O VAL A 71 -3.064 5.509 5.155 1.00 0.00 O ATOM 581 CB VAL A 71 -0.627 6.081 6.478 1.00 0.00 C ATOM 582 CG1 VAL A 71 -0.888 7.589 6.335 1.00 0.00 C ATOM 583 CG2 VAL A 71 0.679 5.952 7.274 1.00 0.00 C ATOM 0 H VAL A 71 -1.251 3.447 6.587 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.990 5.972 8.086 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.540 5.597 5.505 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.045 8.058 5.828 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.796 7.748 5.753 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.009 8.033 7.323 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.483 6.458 6.739 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.553 6.408 8.256 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.930 4.898 7.393 1.00 0.00 H new ATOM 584 N GLY A 72 -4.068 4.642 7.006 1.00 0.00 N ATOM 585 CA GLY A 72 -5.437 4.276 6.562 1.00 0.00 C ATOM 586 C GLY A 72 -6.138 5.179 5.556 1.00 0.00 C ATOM 587 O GLY A 72 -7.254 5.676 5.723 1.00 0.00 O ATOM 0 H GLY A 72 -3.905 4.309 7.956 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.390 3.275 6.133 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.068 4.214 7.449 1.00 0.00 H new ATOM 588 N MET A 73 -5.569 4.973 4.388 1.00 0.00 N ATOM 589 CA MET A 73 -6.080 5.326 3.056 1.00 0.00 C ATOM 590 C MET A 73 -7.381 4.515 3.007 1.00 0.00 C ATOM 591 O MET A 73 -7.427 3.342 3.391 1.00 0.00 O ATOM 592 CB MET A 73 -5.220 4.654 1.974 1.00 0.00 C ATOM 593 CG MET A 73 -3.946 3.924 2.405 1.00 0.00 C ATOM 594 SD MET A 73 -2.407 4.425 1.558 1.00 0.00 S ATOM 595 CE MET A 73 -2.777 4.191 -0.171 1.00 0.00 C ATOM 0 H MET A 73 -4.659 4.516 4.327 1.00 0.00 H new ATOM 0 HA MET A 73 -6.133 6.404 2.904 1.00 0.00 H new ATOM 0 HB2 MET A 73 -5.850 3.938 1.446 1.00 0.00 H new ATOM 0 HB3 MET A 73 -4.936 5.420 1.253 1.00 0.00 H new ATOM 0 HG2 MET A 73 -3.812 4.072 3.477 1.00 0.00 H new ATOM 0 HG3 MET A 73 -4.093 2.856 2.247 1.00 0.00 H new ATOM 0 HE1 MET A 73 -2.018 3.552 -0.622 1.00 0.00 H new ATOM 0 HE2 MET A 73 -3.755 3.721 -0.273 1.00 0.00 H new ATOM 0 HE3 MET A 73 -2.784 5.157 -0.676 1.00 0.00 H new ATOM 596 N SER A 74 -8.429 5.113 2.471 1.00 0.00 N ATOM 597 CA SER A 74 -9.720 4.417 2.397 1.00 0.00 C ATOM 598 C SER A 74 -10.245 4.027 1.030 1.00 0.00 C ATOM 599 O SER A 74 -11.230 4.507 0.482 1.00 0.00 O ATOM 600 CB SER A 74 -10.767 5.150 3.268 1.00 0.00 C ATOM 601 OG SER A 74 -10.467 4.919 4.645 1.00 0.00 O ATOM 0 H SER A 74 -8.424 6.057 2.086 1.00 0.00 H new ATOM 0 HA SER A 74 -9.514 3.429 2.810 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.754 6.219 3.054 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.769 4.790 3.035 1.00 0.00 H new ATOM 0 HG SER A 74 -11.125 5.381 5.205 1.00 0.00 H new ATOM 602 N LYS A 75 -9.456 3.090 0.518 1.00 0.00 N ATOM 603 CA LYS A 75 -10.032 1.836 0.031 1.00 0.00 C ATOM 604 C LYS A 75 -9.858 0.907 1.235 1.00 0.00 C ATOM 605 O LYS A 75 -8.780 0.417 1.526 1.00 0.00 O ATOM 606 CB LYS A 75 -9.434 1.349 -1.283 1.00 0.00 C ATOM 607 CG LYS A 75 -9.574 2.375 -2.420 1.00 0.00 C ATOM 608 CD LYS A 75 -10.982 2.933 -2.689 1.00 0.00 C ATOM 609 CE LYS A 75 -11.934 1.979 -3.407 1.00 0.00 C ATOM 610 NZ LYS A 75 -13.044 2.734 -3.993 1.00 0.00 N ATOM 0 H LYS A 75 -8.443 3.166 0.429 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.077 1.917 -0.267 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.379 1.121 -1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.922 0.420 -1.577 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.913 3.214 -2.202 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.211 1.914 -3.339 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.430 3.219 -1.737 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.888 3.842 -3.283 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.400 1.436 -4.187 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.317 1.237 -2.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.936 2.228 -3.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.091 3.677 -3.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.893 2.834 -5.017 1.00 0.00 H new ATOM 611 N GLU A 76 -10.968 0.752 1.935 1.00 0.00 N ATOM 612 CA GLU A 76 -11.012 0.630 3.401 1.00 0.00 C ATOM 613 C GLU A 76 -11.375 -0.851 3.706 1.00 0.00 C ATOM 614 O GLU A 76 -10.573 -1.749 3.444 1.00 0.00 O ATOM 615 CB GLU A 76 -12.104 1.624 3.787 1.00 0.00 C ATOM 616 CG GLU A 76 -12.170 1.923 5.293 1.00 0.00 C ATOM 617 CD GLU A 76 -13.477 2.648 5.632 1.00 0.00 C ATOM 618 OE1 GLU A 76 -14.475 1.912 5.813 1.00 0.00 O ATOM 619 OE2 GLU A 76 -13.474 3.894 5.633 1.00 0.00 O ATOM 0 H GLU A 76 -11.890 0.705 1.501 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.094 0.848 3.947 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.939 2.557 3.248 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -13.068 1.234 3.461 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.104 0.994 5.859 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.318 2.537 5.587 1.00 0.00 H new ATOM 620 N SER A 77 -12.634 -1.100 4.023 1.00 0.00 N ATOM 621 CA SER A 77 -13.288 -2.409 3.836 1.00 0.00 C ATOM 622 C SER A 77 -14.199 -2.198 2.623 1.00 0.00 C ATOM 623 O SER A 77 -15.414 -2.005 2.660 1.00 0.00 O ATOM 624 CB SER A 77 -14.066 -2.782 5.102 1.00 0.00 C ATOM 625 OG SER A 77 -14.998 -1.759 5.443 1.00 0.00 O ATOM 0 H SER A 77 -13.251 -0.395 4.425 1.00 0.00 H new ATOM 0 HA SER A 77 -12.594 -3.232 3.666 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.593 -3.723 4.946 1.00 0.00 H new ATOM 0 HB3 SER A 77 -13.372 -2.938 5.928 1.00 0.00 H new ATOM 0 HG SER A 77 -15.890 -2.009 5.122 1.00 0.00 H new ATOM 626 N VAL A 78 -13.491 -2.197 1.512 1.00 0.00 N ATOM 627 CA VAL A 78 -13.997 -1.715 0.224 1.00 0.00 C ATOM 628 C VAL A 78 -14.229 -2.843 -0.765 1.00 0.00 C ATOM 629 O VAL A 78 -13.477 -3.805 -0.826 1.00 0.00 O ATOM 630 CB VAL A 78 -13.072 -0.567 -0.200 1.00 0.00 C ATOM 631 CG1 VAL A 78 -12.133 -0.756 -1.382 1.00 0.00 C ATOM 632 CG2 VAL A 78 -13.512 0.873 0.003 1.00 0.00 C ATOM 0 H VAL A 78 -12.530 -2.535 1.468 1.00 0.00 H new ATOM 0 HA VAL A 78 -15.005 -1.305 0.286 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.426 -0.743 0.660 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.556 0.156 -1.538 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.454 -1.584 -1.179 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -12.715 -0.975 -2.277 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.732 1.546 -0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.431 1.055 -0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.689 1.053 1.063 1.00 0.00 H new ATOM 633 N ARG A 79 -15.444 -2.850 -1.299 1.00 0.00 N ATOM 634 CA ARG A 79 -16.491 -1.859 -0.972 1.00 0.00 C ATOM 635 C ARG A 79 -17.733 -2.444 -0.277 1.00 0.00 C ATOM 636 O ARG A 79 -18.524 -3.161 -0.890 1.00 0.00 O ATOM 637 CB ARG A 79 -16.902 -1.014 -2.172 1.00 0.00 C ATOM 638 CG ARG A 79 -16.914 0.415 -1.639 1.00 0.00 C ATOM 639 CD ARG A 79 -17.581 1.413 -2.588 1.00 0.00 C ATOM 640 NE ARG A 79 -16.824 1.595 -3.846 1.00 0.00 N ATOM 641 CZ ARG A 79 -16.810 2.696 -4.589 1.00 0.00 C ATOM 642 NH1 ARG A 79 -17.500 3.785 -4.260 1.00 0.00 N ATOM 643 NH2 ARG A 79 -16.140 2.727 -5.723 1.00 0.00 N ATOM 0 H ARG A 79 -15.745 -3.547 -1.980 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.008 -1.209 -0.242 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -16.198 -1.125 -2.997 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -17.882 -1.307 -2.548 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -17.434 0.433 -0.681 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -15.889 0.733 -1.451 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -18.589 1.069 -2.821 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -17.681 2.375 -2.086 1.00 0.00 H new ATOM 0 HE ARG A 79 -16.264 0.807 -4.171 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -18.065 3.793 -3.411 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -17.464 4.611 -4.857 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -15.628 1.902 -6.035 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -16.134 3.576 -6.289 1.00 0.00 H new ATOM 644 N ASN A 80 -17.769 -2.272 1.036 1.00 0.00 N ATOM 645 CA ASN A 80 -18.967 -2.537 1.857 1.00 0.00 C ATOM 646 C ASN A 80 -19.440 -1.357 2.732 1.00 0.00 C ATOM 647 O ASN A 80 -18.607 -0.444 2.956 1.00 0.00 O ATOM 648 CB ASN A 80 -18.755 -3.823 2.649 1.00 0.00 C ATOM 649 CG ASN A 80 -17.669 -3.786 3.737 1.00 0.00 C ATOM 650 OD1 ASN A 80 -17.400 -2.792 4.394 1.00 0.00 O ATOM 651 ND2 ASN A 80 -17.018 -4.905 3.940 1.00 0.00 N ATOM 652 OXT ASN A 80 -20.633 -1.358 3.090 1.00 0.00 O ATOM 0 H ASN A 80 -16.969 -1.943 1.576 1.00 0.00 H new ATOM 0 HA ASN A 80 -19.802 -2.668 1.169 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -19.700 -4.094 3.119 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -18.508 -4.620 1.947 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -16.285 -4.947 4.648 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -17.244 -5.734 3.390 1.00 0.00 H new