USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 510 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 16 TYR OH : rot -136:sc= 1.23 USER MOD Set 1.2: A 42 MET CE :methyl -169:sc= -0.846 (180deg=-1.6) USER MOD Set 2.1: A 20 LYS NZ :NH3+ -163:sc= 0 (180deg=0) USER MOD Set 2.2: A 40 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Set 3.1: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 33 GLN : amide:sc= -0.631 K(o=-0.63,f=-3.9!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0686 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0846 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 162:sc=-0.00969 (180deg=-0.374) USER MOD Single : A 11 THR OG1 : rot 130:sc= 0.638 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 68:sc= 0.873 USER MOD Single : A 22 ASN : amide:sc= -1.96 K(o=-2,f=-15!) USER MOD Single : A 25 CYS SG : rot 17:sc= 0.21 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0217 X(o=-0.022,f=0.12) USER MOD Single : A 38 ASN : amide:sc= -6.03! C(o=-6!,f=-6.5!) USER MOD Single : A 39 GLN : amide:sc= -0.0164 X(o=-0.016,f=-0.018) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 CYS SG : rot 180:sc= -2.6! USER MOD Single : A 46 TYR OH : rot 180:sc= -0.54 USER MOD Single : A 47 GLN : amide:sc= -2.5! C(o=-2.5!,f=-3.7!) USER MOD Single : A 50 SER OG : rot -43:sc= 1.22 USER MOD Single : A 52 HIS :FLIP no HD1:sc= -0.0971 F(o=-0.7,f=-0.097) USER MOD Single : A 53 SER OG : rot 180:sc= -0.539 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 12:sc= 0.529 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.886 1.035 -20.236 1.00 0.00 N ATOM 2 CA GLY A 1 0.931 1.438 -21.629 1.00 0.00 C ATOM 3 C GLY A 1 2.265 2.048 -22.014 1.00 0.00 C ATOM 4 O GLY A 1 2.994 1.494 -22.836 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.046 0.625 -20.023 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.626 0.327 -20.055 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.046 1.865 -19.629 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.735 0.572 -22.261 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.136 2.159 -21.821 1.00 0.00 H new ATOM 8 N SER A 2 2.584 3.193 -21.418 1.00 0.00 N ATOM 9 CA SER A 2 3.836 3.882 -21.708 1.00 0.00 C ATOM 10 C SER A 2 4.559 4.259 -20.418 1.00 0.00 C ATOM 11 O SER A 2 5.757 4.021 -20.273 1.00 0.00 O ATOM 12 CB SER A 2 3.572 5.136 -22.543 1.00 0.00 C ATOM 13 OG SER A 2 4.672 5.428 -23.387 1.00 0.00 O ATOM 0 H SER A 2 1.993 3.663 -20.732 1.00 0.00 H new ATOM 0 HA SER A 2 4.472 3.204 -22.277 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.675 4.993 -23.146 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.381 5.982 -21.883 1.00 0.00 H new ATOM 0 HG SER A 2 4.477 6.233 -23.911 1.00 0.00 H new ATOM 19 N SER A 3 3.820 4.849 -19.484 1.00 0.00 N ATOM 20 CA SER A 3 4.390 5.264 -18.207 1.00 0.00 C ATOM 21 C SER A 3 4.968 4.068 -17.457 1.00 0.00 C ATOM 22 O SER A 3 4.591 2.923 -17.705 1.00 0.00 O ATOM 23 CB SER A 3 3.326 5.952 -17.350 1.00 0.00 C ATOM 24 OG SER A 3 3.824 6.243 -16.055 1.00 0.00 O ATOM 0 H SER A 3 2.825 5.050 -19.587 1.00 0.00 H new ATOM 0 HA SER A 3 5.196 5.969 -18.408 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.004 6.874 -17.835 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.448 5.311 -17.270 1.00 0.00 H new ATOM 0 HG SER A 3 3.126 6.684 -15.527 1.00 0.00 H new ATOM 30 N GLY A 4 5.887 4.343 -16.536 1.00 0.00 N ATOM 31 CA GLY A 4 6.504 3.281 -15.763 1.00 0.00 C ATOM 32 C GLY A 4 6.226 3.408 -14.279 1.00 0.00 C ATOM 33 O GLY A 4 5.601 2.532 -13.681 1.00 0.00 O ATOM 0 H GLY A 4 6.215 5.282 -16.312 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.137 2.318 -16.117 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.581 3.293 -15.930 1.00 0.00 H new ATOM 37 N SER A 5 6.693 4.500 -13.682 1.00 0.00 N ATOM 38 CA SER A 5 6.495 4.735 -12.256 1.00 0.00 C ATOM 39 C SER A 5 5.114 5.327 -11.990 1.00 0.00 C ATOM 40 O SER A 5 4.968 6.259 -11.198 1.00 0.00 O ATOM 41 CB SER A 5 7.577 5.674 -11.718 1.00 0.00 C ATOM 42 OG SER A 5 8.827 5.012 -11.626 1.00 0.00 O ATOM 0 H SER A 5 7.211 5.236 -14.163 1.00 0.00 H new ATOM 0 HA SER A 5 6.566 3.777 -11.741 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.668 6.541 -12.372 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.285 6.045 -10.736 1.00 0.00 H new ATOM 0 HG SER A 5 9.502 5.634 -11.281 1.00 0.00 H new ATOM 48 N SER A 6 4.104 4.778 -12.656 1.00 0.00 N ATOM 49 CA SER A 6 2.734 5.253 -12.495 1.00 0.00 C ATOM 50 C SER A 6 2.353 5.321 -11.019 1.00 0.00 C ATOM 51 O SER A 6 1.791 6.313 -10.557 1.00 0.00 O ATOM 52 CB SER A 6 1.763 4.338 -13.243 1.00 0.00 C ATOM 53 OG SER A 6 1.778 3.028 -12.702 1.00 0.00 O ATOM 0 H SER A 6 4.208 4.004 -13.312 1.00 0.00 H new ATOM 0 HA SER A 6 2.672 6.257 -12.915 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.754 4.747 -13.185 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.032 4.302 -14.299 1.00 0.00 H new ATOM 0 HG SER A 6 1.148 2.463 -13.196 1.00 0.00 H new ATOM 59 N GLY A 7 2.663 4.257 -10.285 1.00 0.00 N ATOM 60 CA GLY A 7 2.346 4.215 -8.869 1.00 0.00 C ATOM 61 C GLY A 7 2.793 5.465 -8.137 1.00 0.00 C ATOM 62 O GLY A 7 3.751 6.121 -8.545 1.00 0.00 O ATOM 0 H GLY A 7 3.128 3.424 -10.645 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.270 4.090 -8.744 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.823 3.344 -8.419 1.00 0.00 H new ATOM 66 N SER A 8 2.096 5.795 -7.055 1.00 0.00 N ATOM 67 CA SER A 8 2.423 6.978 -6.268 1.00 0.00 C ATOM 68 C SER A 8 3.115 6.590 -4.965 1.00 0.00 C ATOM 69 O SER A 8 2.564 5.846 -4.152 1.00 0.00 O ATOM 70 CB SER A 8 1.157 7.782 -5.965 1.00 0.00 C ATOM 71 OG SER A 8 0.477 8.130 -7.159 1.00 0.00 O ATOM 0 H SER A 8 1.302 5.260 -6.703 1.00 0.00 H new ATOM 0 HA SER A 8 3.106 7.595 -6.853 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.497 7.199 -5.323 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.419 8.686 -5.415 1.00 0.00 H new ATOM 0 HG SER A 8 -0.329 8.642 -6.939 1.00 0.00 H new ATOM 77 N THR A 9 4.328 7.098 -4.771 1.00 0.00 N ATOM 78 CA THR A 9 5.098 6.805 -3.569 1.00 0.00 C ATOM 79 C THR A 9 4.506 7.507 -2.352 1.00 0.00 C ATOM 80 O THR A 9 3.955 8.602 -2.463 1.00 0.00 O ATOM 81 CB THR A 9 6.570 7.229 -3.727 1.00 0.00 C ATOM 82 OG1 THR A 9 7.084 6.759 -4.978 1.00 0.00 O ATOM 83 CG2 THR A 9 7.416 6.680 -2.587 1.00 0.00 C ATOM 0 H THR A 9 4.799 7.715 -5.432 1.00 0.00 H new ATOM 0 HA THR A 9 5.053 5.726 -3.420 1.00 0.00 H new ATOM 0 HB THR A 9 6.616 8.318 -3.702 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.020 7.034 -5.071 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.452 6.992 -2.720 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.040 7.063 -1.638 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.362 5.591 -2.586 1.00 0.00 H new ATOM 91 N MET A 10 4.624 6.871 -1.192 1.00 0.00 N ATOM 92 CA MET A 10 4.102 7.437 0.047 1.00 0.00 C ATOM 93 C MET A 10 4.994 7.074 1.229 1.00 0.00 C ATOM 94 O MET A 10 5.554 5.978 1.285 1.00 0.00 O ATOM 95 CB MET A 10 2.676 6.942 0.297 1.00 0.00 C ATOM 96 CG MET A 10 1.747 7.139 -0.890 1.00 0.00 C ATOM 97 SD MET A 10 0.008 6.967 -0.447 1.00 0.00 S ATOM 98 CE MET A 10 -0.405 8.659 -0.029 1.00 0.00 C ATOM 0 H MET A 10 5.076 5.963 -1.083 1.00 0.00 H new ATOM 0 HA MET A 10 4.090 8.522 -0.055 1.00 0.00 H new ATOM 0 HB2 MET A 10 2.707 5.883 0.551 1.00 0.00 H new ATOM 0 HB3 MET A 10 2.265 7.465 1.160 1.00 0.00 H new ATOM 0 HG2 MET A 10 1.913 8.128 -1.316 1.00 0.00 H new ATOM 0 HG3 MET A 10 1.994 6.413 -1.664 1.00 0.00 H new ATOM 0 HE1 MET A 10 -1.488 8.784 -0.045 1.00 0.00 H new ATOM 0 HE2 MET A 10 -0.028 8.890 0.967 1.00 0.00 H new ATOM 0 HE3 MET A 10 0.049 9.334 -0.754 1.00 0.00 H new ATOM 108 N THR A 11 5.122 7.999 2.175 1.00 0.00 N ATOM 109 CA THR A 11 5.947 7.777 3.355 1.00 0.00 C ATOM 110 C THR A 11 5.087 7.578 4.598 1.00 0.00 C ATOM 111 O THR A 11 4.210 8.390 4.894 1.00 0.00 O ATOM 112 CB THR A 11 6.913 8.952 3.596 1.00 0.00 C ATOM 113 OG1 THR A 11 7.792 9.101 2.475 1.00 0.00 O ATOM 114 CG2 THR A 11 7.728 8.733 4.861 1.00 0.00 C ATOM 0 H THR A 11 4.664 8.910 2.146 1.00 0.00 H new ATOM 0 HA THR A 11 6.527 6.873 3.169 1.00 0.00 H new ATOM 0 HB THR A 11 6.322 9.860 3.717 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.799 10.038 2.187 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.403 9.576 5.010 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.057 8.650 5.716 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.309 7.816 4.765 1.00 0.00 H new ATOM 122 N VAL A 12 5.343 6.494 5.323 1.00 0.00 N ATOM 123 CA VAL A 12 4.593 6.190 6.535 1.00 0.00 C ATOM 124 C VAL A 12 4.699 7.326 7.547 1.00 0.00 C ATOM 125 O VAL A 12 5.774 7.893 7.747 1.00 0.00 O ATOM 126 CB VAL A 12 5.087 4.886 7.190 1.00 0.00 C ATOM 127 CG1 VAL A 12 4.261 4.562 8.425 1.00 0.00 C ATOM 128 CG2 VAL A 12 5.042 3.739 6.191 1.00 0.00 C ATOM 0 H VAL A 12 6.065 5.811 5.092 1.00 0.00 H new ATOM 0 HA VAL A 12 3.551 6.067 6.239 1.00 0.00 H new ATOM 0 HB VAL A 12 6.122 5.025 7.502 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.625 3.638 8.874 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.350 5.375 9.146 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.215 4.441 8.142 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.394 2.825 6.670 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.018 3.596 5.847 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.682 3.972 5.340 1.00 0.00 H new ATOM 138 N ILE A 13 3.579 7.651 8.183 1.00 0.00 N ATOM 139 CA ILE A 13 3.547 8.718 9.175 1.00 0.00 C ATOM 140 C ILE A 13 3.364 8.157 10.581 1.00 0.00 C ATOM 141 O ILE A 13 3.912 8.684 11.549 1.00 0.00 O ATOM 142 CB ILE A 13 2.417 9.724 8.885 1.00 0.00 C ATOM 143 CG1 ILE A 13 1.081 8.993 8.735 1.00 0.00 C ATOM 144 CG2 ILE A 13 2.732 10.527 7.631 1.00 0.00 C ATOM 145 CD1 ILE A 13 -0.106 9.923 8.619 1.00 0.00 C ATOM 0 H ILE A 13 2.682 7.191 8.029 1.00 0.00 H new ATOM 0 HA ILE A 13 4.506 9.233 9.114 1.00 0.00 H new ATOM 0 HB ILE A 13 2.340 10.414 9.725 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.121 8.356 7.851 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.936 8.337 9.594 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.924 11.234 7.439 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.665 11.072 7.773 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.832 9.851 6.782 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.019 9.337 8.516 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.172 10.542 9.514 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.016 10.561 7.744 1.00 0.00 H new ATOM 157 N LYS A 14 2.590 7.081 10.686 1.00 0.00 N ATOM 158 CA LYS A 14 2.336 6.444 11.972 1.00 0.00 C ATOM 159 C LYS A 14 2.535 4.934 11.881 1.00 0.00 C ATOM 160 O LYS A 14 2.188 4.313 10.876 1.00 0.00 O ATOM 161 CB LYS A 14 0.914 6.753 12.446 1.00 0.00 C ATOM 162 CG LYS A 14 0.624 8.239 12.570 1.00 0.00 C ATOM 163 CD LYS A 14 -0.858 8.534 12.409 1.00 0.00 C ATOM 164 CE LYS A 14 -1.620 8.279 13.701 1.00 0.00 C ATOM 165 NZ LYS A 14 -1.540 9.440 14.630 1.00 0.00 N ATOM 0 H LYS A 14 2.128 6.632 9.895 1.00 0.00 H new ATOM 0 HA LYS A 14 3.048 6.844 12.693 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.203 6.309 11.749 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.751 6.277 13.413 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.964 8.597 13.542 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.189 8.785 11.814 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.993 9.572 12.105 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.270 7.913 11.614 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.665 8.069 13.471 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.217 7.393 14.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.071 9.227 15.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.545 9.625 14.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.948 10.280 14.172 1.00 0.00 H new ATOM 179 N ASP A 15 3.094 4.351 12.935 1.00 0.00 N ATOM 180 CA ASP A 15 3.337 2.913 12.974 1.00 0.00 C ATOM 181 C ASP A 15 2.054 2.138 12.695 1.00 0.00 C ATOM 182 O ASP A 15 0.956 2.599 13.010 1.00 0.00 O ATOM 183 CB ASP A 15 3.908 2.508 14.334 1.00 0.00 C ATOM 184 CG ASP A 15 2.851 2.483 15.421 1.00 0.00 C ATOM 185 OD1 ASP A 15 2.055 1.521 15.453 1.00 0.00 O ATOM 186 OD2 ASP A 15 2.820 3.425 16.239 1.00 0.00 O ATOM 0 H ASP A 15 3.388 4.851 13.774 1.00 0.00 H new ATOM 0 HA ASP A 15 4.062 2.670 12.198 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.366 1.522 14.254 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.698 3.204 14.615 1.00 0.00 H new ATOM 191 N TYR A 16 2.199 0.958 12.102 1.00 0.00 N ATOM 192 CA TYR A 16 1.051 0.119 11.777 1.00 0.00 C ATOM 193 C TYR A 16 1.387 -1.358 11.956 1.00 0.00 C ATOM 194 O TYR A 16 2.555 -1.748 11.932 1.00 0.00 O ATOM 195 CB TYR A 16 0.593 0.379 10.341 1.00 0.00 C ATOM 196 CG TYR A 16 -0.503 -0.553 9.877 1.00 0.00 C ATOM 197 CD1 TYR A 16 -1.823 -0.353 10.263 1.00 0.00 C ATOM 198 CD2 TYR A 16 -0.219 -1.634 9.051 1.00 0.00 C ATOM 199 CE1 TYR A 16 -2.827 -1.203 9.842 1.00 0.00 C ATOM 200 CE2 TYR A 16 -1.217 -2.488 8.624 1.00 0.00 C ATOM 201 CZ TYR A 16 -2.519 -2.269 9.022 1.00 0.00 C ATOM 202 OH TYR A 16 -3.517 -3.117 8.599 1.00 0.00 O ATOM 0 H TYR A 16 3.100 0.561 11.837 1.00 0.00 H new ATOM 0 HA TYR A 16 0.242 0.374 12.461 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.242 1.408 10.261 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.448 0.282 9.672 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.068 0.482 10.903 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.800 -1.809 8.738 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.847 -1.034 10.153 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -0.979 -3.323 7.982 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.210 -4.045 8.670 1.00 0.00 H new ATOM 212 N TYR A 17 0.355 -2.175 12.135 1.00 0.00 N ATOM 213 CA TYR A 17 0.539 -3.609 12.321 1.00 0.00 C ATOM 214 C TYR A 17 -0.306 -4.400 11.326 1.00 0.00 C ATOM 215 O TYR A 17 -1.518 -4.209 11.235 1.00 0.00 O ATOM 216 CB TYR A 17 0.174 -4.011 13.750 1.00 0.00 C ATOM 217 CG TYR A 17 0.439 -2.928 14.771 1.00 0.00 C ATOM 218 CD1 TYR A 17 1.737 -2.537 15.077 1.00 0.00 C ATOM 219 CD2 TYR A 17 -0.608 -2.294 15.428 1.00 0.00 C ATOM 220 CE1 TYR A 17 1.984 -1.547 16.009 1.00 0.00 C ATOM 221 CE2 TYR A 17 -0.371 -1.302 16.360 1.00 0.00 C ATOM 222 CZ TYR A 17 0.927 -0.933 16.648 1.00 0.00 C ATOM 223 OH TYR A 17 1.169 0.054 17.576 1.00 0.00 O ATOM 0 H TYR A 17 -0.618 -1.868 12.155 1.00 0.00 H new ATOM 0 HA TYR A 17 1.589 -3.841 12.143 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.882 -4.280 13.784 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.739 -4.902 14.023 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.567 -3.015 14.578 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.625 -2.582 15.206 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.999 -1.256 16.236 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.197 -0.818 16.860 1.00 0.00 H new ATOM 0 HH TYR A 17 1.542 0.841 17.127 1.00 0.00 H new ATOM 233 N ALA A 18 0.344 -5.289 10.583 1.00 0.00 N ATOM 234 CA ALA A 18 -0.346 -6.112 9.597 1.00 0.00 C ATOM 235 C ALA A 18 -1.235 -7.150 10.274 1.00 0.00 C ATOM 236 O ALA A 18 -0.742 -8.098 10.887 1.00 0.00 O ATOM 237 CB ALA A 18 0.659 -6.792 8.680 1.00 0.00 C ATOM 0 H ALA A 18 1.348 -5.458 10.645 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.983 -5.461 8.999 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.129 -7.403 7.949 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.248 -6.036 8.162 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.320 -7.425 9.271 1.00 0.00 H new ATOM 243 N LEU A 19 -2.545 -6.965 10.159 1.00 0.00 N ATOM 244 CA LEU A 19 -3.503 -7.887 10.761 1.00 0.00 C ATOM 245 C LEU A 19 -3.698 -9.119 9.884 1.00 0.00 C ATOM 246 O LEU A 19 -3.930 -10.220 10.384 1.00 0.00 O ATOM 247 CB LEU A 19 -4.845 -7.186 10.981 1.00 0.00 C ATOM 248 CG LEU A 19 -5.004 -6.442 12.307 1.00 0.00 C ATOM 249 CD1 LEU A 19 -3.898 -5.411 12.477 1.00 0.00 C ATOM 250 CD2 LEU A 19 -6.371 -5.777 12.385 1.00 0.00 C ATOM 0 H LEU A 19 -2.969 -6.186 9.655 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.105 -8.209 11.724 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.999 -6.476 10.168 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.638 -7.931 10.908 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.927 -7.165 13.119 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.028 -4.891 13.426 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.930 -5.911 12.466 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.943 -4.691 11.660 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.467 -5.252 13.336 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.477 -5.066 11.566 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.150 -6.536 12.310 1.00 0.00 H new ATOM 262 N LYS A 20 -3.599 -8.928 8.573 1.00 0.00 N ATOM 263 CA LYS A 20 -3.760 -10.024 7.625 1.00 0.00 C ATOM 264 C LYS A 20 -2.404 -10.571 7.190 1.00 0.00 C ATOM 265 O LYS A 20 -1.375 -9.922 7.374 1.00 0.00 O ATOM 266 CB LYS A 20 -4.549 -9.555 6.401 1.00 0.00 C ATOM 267 CG LYS A 20 -5.974 -9.135 6.720 1.00 0.00 C ATOM 268 CD LYS A 20 -6.865 -9.209 5.492 1.00 0.00 C ATOM 269 CE LYS A 20 -7.994 -8.191 5.560 1.00 0.00 C ATOM 270 NZ LYS A 20 -9.168 -8.609 4.746 1.00 0.00 N ATOM 0 H LYS A 20 -3.408 -8.023 8.142 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.312 -10.822 8.121 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.026 -8.716 5.942 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.572 -10.358 5.664 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.377 -9.778 7.502 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.976 -8.118 7.111 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.268 -9.033 4.597 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.283 -10.212 5.404 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.301 -8.058 6.597 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.633 -7.225 5.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.785 -7.789 4.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.841 -8.987 3.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.699 -9.344 5.255 1.00 0.00 H new ATOM 284 N GLU A 21 -2.412 -11.767 6.610 1.00 0.00 N ATOM 285 CA GLU A 21 -1.182 -12.399 6.148 1.00 0.00 C ATOM 286 C GLU A 21 -0.540 -11.586 5.028 1.00 0.00 C ATOM 287 O GLU A 21 0.678 -11.412 4.993 1.00 0.00 O ATOM 288 CB GLU A 21 -1.465 -13.823 5.663 1.00 0.00 C ATOM 289 CG GLU A 21 -2.302 -13.878 4.396 1.00 0.00 C ATOM 290 CD GLU A 21 -3.731 -13.422 4.620 1.00 0.00 C ATOM 291 OE1 GLU A 21 -4.509 -14.187 5.227 1.00 0.00 O ATOM 292 OE2 GLU A 21 -4.070 -12.301 4.189 1.00 0.00 O ATOM 0 H GLU A 21 -3.256 -12.317 6.449 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.487 -12.440 6.987 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.518 -14.333 5.485 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.979 -14.372 6.452 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.840 -13.252 3.633 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.306 -14.898 4.012 1.00 0.00 H new ATOM 299 N ASN A 22 -1.368 -11.091 4.114 1.00 0.00 N ATOM 300 CA ASN A 22 -0.882 -10.298 2.992 1.00 0.00 C ATOM 301 C ASN A 22 -0.312 -8.967 3.473 1.00 0.00 C ATOM 302 O ASN A 22 0.689 -8.483 2.946 1.00 0.00 O ATOM 303 CB ASN A 22 -2.010 -10.049 1.989 1.00 0.00 C ATOM 304 CG ASN A 22 -3.294 -9.603 2.662 1.00 0.00 C ATOM 305 OD1 ASN A 22 -3.295 -9.226 3.834 1.00 0.00 O ATOM 306 ND2 ASN A 22 -4.395 -9.644 1.921 1.00 0.00 N ATOM 0 H ASN A 22 -2.379 -11.225 4.129 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.086 -10.859 2.502 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.695 -9.289 1.273 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.198 -10.962 1.423 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.289 -9.356 2.319 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.347 -9.964 0.954 1.00 0.00 H new ATOM 313 N GLU A 23 -0.957 -8.382 4.477 1.00 0.00 N ATOM 314 CA GLU A 23 -0.514 -7.107 5.029 1.00 0.00 C ATOM 315 C GLU A 23 0.889 -7.227 5.619 1.00 0.00 C ATOM 316 O GLU A 23 1.254 -8.265 6.172 1.00 0.00 O ATOM 317 CB GLU A 23 -1.491 -6.623 6.103 1.00 0.00 C ATOM 318 CG GLU A 23 -2.806 -6.109 5.542 1.00 0.00 C ATOM 319 CD GLU A 23 -3.823 -5.807 6.625 1.00 0.00 C ATOM 320 OE1 GLU A 23 -3.407 -5.486 7.758 1.00 0.00 O ATOM 321 OE2 GLU A 23 -5.036 -5.891 6.339 1.00 0.00 O ATOM 0 H GLU A 23 -1.787 -8.770 4.925 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.487 -6.379 4.218 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.695 -7.442 6.792 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.018 -5.830 6.682 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.621 -5.206 4.961 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.219 -6.850 4.857 1.00 0.00 H new ATOM 328 N ILE A 24 1.669 -6.159 5.496 1.00 0.00 N ATOM 329 CA ILE A 24 3.031 -6.144 6.017 1.00 0.00 C ATOM 330 C ILE A 24 3.196 -5.077 7.093 1.00 0.00 C ATOM 331 O ILE A 24 2.423 -4.120 7.157 1.00 0.00 O ATOM 332 CB ILE A 24 4.059 -5.892 4.898 1.00 0.00 C ATOM 333 CG1 ILE A 24 3.860 -4.499 4.297 1.00 0.00 C ATOM 334 CG2 ILE A 24 3.942 -6.961 3.822 1.00 0.00 C ATOM 335 CD1 ILE A 24 4.920 -4.120 3.287 1.00 0.00 C ATOM 0 H ILE A 24 1.382 -5.293 5.040 1.00 0.00 H new ATOM 0 HA ILE A 24 3.213 -7.127 6.452 1.00 0.00 H new ATOM 0 HB ILE A 24 5.060 -5.942 5.326 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.882 -4.455 3.819 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.855 -3.763 5.101 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.675 -6.770 3.038 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.128 -7.941 4.261 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.939 -6.939 3.395 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.716 -3.121 2.903 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.899 -4.131 3.766 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.910 -4.834 2.464 1.00 0.00 H new ATOM 347 N CYS A 25 4.209 -5.246 7.936 1.00 0.00 N ATOM 348 CA CYS A 25 4.477 -4.296 9.010 1.00 0.00 C ATOM 349 C CYS A 25 5.236 -3.082 8.485 1.00 0.00 C ATOM 350 O CYS A 25 6.105 -3.205 7.622 1.00 0.00 O ATOM 351 CB CYS A 25 5.277 -4.970 10.126 1.00 0.00 C ATOM 352 SG CYS A 25 6.992 -5.335 9.688 1.00 0.00 S ATOM 0 H CYS A 25 4.858 -6.032 7.896 1.00 0.00 H new ATOM 0 HA CYS A 25 3.521 -3.958 9.411 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.267 -4.326 11.005 1.00 0.00 H new ATOM 0 HB3 CYS A 25 4.779 -5.899 10.405 1.00 0.00 H new ATOM 0 HG CYS A 25 7.326 -4.649 8.635 1.00 0.00 H new ATOM 358 N VAL A 26 4.900 -1.908 9.011 1.00 0.00 N ATOM 359 CA VAL A 26 5.549 -0.671 8.595 1.00 0.00 C ATOM 360 C VAL A 26 5.590 0.339 9.737 1.00 0.00 C ATOM 361 O VAL A 26 4.735 0.325 10.623 1.00 0.00 O ATOM 362 CB VAL A 26 4.829 -0.037 7.390 1.00 0.00 C ATOM 363 CG1 VAL A 26 4.653 -1.057 6.276 1.00 0.00 C ATOM 364 CG2 VAL A 26 3.487 0.539 7.814 1.00 0.00 C ATOM 0 H VAL A 26 4.182 -1.788 9.726 1.00 0.00 H new ATOM 0 HA VAL A 26 6.567 -0.930 8.305 1.00 0.00 H new ATOM 0 HB VAL A 26 5.444 0.778 7.009 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.142 -0.591 5.433 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.630 -1.417 5.954 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.060 -1.896 6.641 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.992 0.983 6.950 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.862 -0.256 8.221 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.643 1.304 8.575 1.00 0.00 H new ATOM 374 N SER A 27 6.590 1.214 9.710 1.00 0.00 N ATOM 375 CA SER A 27 6.745 2.230 10.745 1.00 0.00 C ATOM 376 C SER A 27 6.897 3.616 10.127 1.00 0.00 C ATOM 377 O SER A 27 7.263 3.750 8.960 1.00 0.00 O ATOM 378 CB SER A 27 7.958 1.914 11.622 1.00 0.00 C ATOM 379 OG SER A 27 7.772 2.394 12.942 1.00 0.00 O ATOM 0 H SER A 27 7.305 1.240 8.983 1.00 0.00 H new ATOM 0 HA SER A 27 5.847 2.224 11.363 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.124 0.837 11.643 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.851 2.366 11.190 1.00 0.00 H new ATOM 0 HG SER A 27 8.560 2.178 13.483 1.00 0.00 H new ATOM 385 N GLN A 28 6.614 4.645 10.920 1.00 0.00 N ATOM 386 CA GLN A 28 6.719 6.022 10.451 1.00 0.00 C ATOM 387 C GLN A 28 8.109 6.301 9.889 1.00 0.00 C ATOM 388 O GLN A 28 9.118 6.022 10.535 1.00 0.00 O ATOM 389 CB GLN A 28 6.411 6.995 11.590 1.00 0.00 C ATOM 390 CG GLN A 28 6.822 8.428 11.293 1.00 0.00 C ATOM 391 CD GLN A 28 6.826 9.303 12.532 1.00 0.00 C ATOM 392 OE1 GLN A 28 5.941 10.139 12.718 1.00 0.00 O ATOM 393 NE2 GLN A 28 7.824 9.114 13.387 1.00 0.00 N ATOM 0 H GLN A 28 6.311 4.551 11.889 1.00 0.00 H new ATOM 0 HA GLN A 28 5.990 6.165 9.654 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.342 6.969 11.800 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.922 6.659 12.492 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.817 8.432 10.847 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.140 8.852 10.556 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.536 8.410 13.192 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.879 9.673 14.238 1.00 0.00 H new ATOM 402 N GLY A 29 8.153 6.855 8.681 1.00 0.00 N ATOM 403 CA GLY A 29 9.425 7.162 8.052 1.00 0.00 C ATOM 404 C GLY A 29 9.661 6.349 6.795 1.00 0.00 C ATOM 405 O GLY A 29 10.103 6.883 5.778 1.00 0.00 O ATOM 0 H GLY A 29 7.331 7.097 8.127 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.458 8.223 7.806 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.232 6.973 8.760 1.00 0.00 H new ATOM 409 N GLU A 30 9.369 5.054 6.866 1.00 0.00 N ATOM 410 CA GLU A 30 9.556 4.166 5.724 1.00 0.00 C ATOM 411 C GLU A 30 8.874 4.729 4.480 1.00 0.00 C ATOM 412 O GLU A 30 8.077 5.663 4.564 1.00 0.00 O ATOM 413 CB GLU A 30 9.003 2.774 6.037 1.00 0.00 C ATOM 414 CG GLU A 30 9.949 1.913 6.857 1.00 0.00 C ATOM 415 CD GLU A 30 11.096 1.361 6.033 1.00 0.00 C ATOM 416 OE1 GLU A 30 11.661 2.122 5.219 1.00 0.00 O ATOM 417 OE2 GLU A 30 11.430 0.170 6.203 1.00 0.00 O ATOM 0 H GLU A 30 9.003 4.597 7.701 1.00 0.00 H new ATOM 0 HA GLU A 30 10.625 4.088 5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.062 2.879 6.576 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.779 2.262 5.101 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.350 2.503 7.681 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.392 1.086 7.298 1.00 0.00 H new ATOM 424 N VAL A 31 9.194 4.154 3.326 1.00 0.00 N ATOM 425 CA VAL A 31 8.614 4.596 2.064 1.00 0.00 C ATOM 426 C VAL A 31 8.239 3.408 1.184 1.00 0.00 C ATOM 427 O VAL A 31 9.023 2.474 1.018 1.00 0.00 O ATOM 428 CB VAL A 31 9.583 5.509 1.289 1.00 0.00 C ATOM 429 CG1 VAL A 31 8.882 6.143 0.098 1.00 0.00 C ATOM 430 CG2 VAL A 31 10.160 6.574 2.208 1.00 0.00 C ATOM 0 H VAL A 31 9.853 3.380 3.239 1.00 0.00 H new ATOM 0 HA VAL A 31 7.714 5.160 2.311 1.00 0.00 H new ATOM 0 HB VAL A 31 10.406 4.901 0.913 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.582 6.784 -0.437 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.522 5.361 -0.571 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.038 6.739 0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.842 7.210 1.644 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.351 7.181 2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.701 6.096 3.025 1.00 0.00 H new ATOM 440 N VAL A 32 7.035 3.451 0.623 1.00 0.00 N ATOM 441 CA VAL A 32 6.556 2.379 -0.241 1.00 0.00 C ATOM 442 C VAL A 32 5.898 2.938 -1.497 1.00 0.00 C ATOM 443 O VAL A 32 5.775 4.152 -1.657 1.00 0.00 O ATOM 444 CB VAL A 32 5.550 1.473 0.493 1.00 0.00 C ATOM 445 CG1 VAL A 32 6.253 0.648 1.560 1.00 0.00 C ATOM 446 CG2 VAL A 32 4.431 2.305 1.101 1.00 0.00 C ATOM 0 H VAL A 32 6.373 4.217 0.751 1.00 0.00 H new ATOM 0 HA VAL A 32 7.427 1.787 -0.523 1.00 0.00 H new ATOM 0 HB VAL A 32 5.110 0.786 -0.230 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.526 0.014 2.068 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.015 0.024 1.094 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.722 1.314 2.284 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.729 1.649 1.616 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.851 3.016 1.812 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.910 2.846 0.311 1.00 0.00 H new ATOM 456 N GLN A 33 5.475 2.044 -2.385 1.00 0.00 N ATOM 457 CA GLN A 33 4.828 2.449 -3.628 1.00 0.00 C ATOM 458 C GLN A 33 3.460 1.791 -3.769 1.00 0.00 C ATOM 459 O GLN A 33 3.347 0.565 -3.785 1.00 0.00 O ATOM 460 CB GLN A 33 5.708 2.087 -4.826 1.00 0.00 C ATOM 461 CG GLN A 33 6.788 3.115 -5.121 1.00 0.00 C ATOM 462 CD GLN A 33 8.044 2.893 -4.300 1.00 0.00 C ATOM 463 OE1 GLN A 33 8.479 3.775 -3.559 1.00 0.00 O ATOM 464 NE2 GLN A 33 8.634 1.710 -4.429 1.00 0.00 N ATOM 0 H GLN A 33 5.568 1.035 -2.267 1.00 0.00 H new ATOM 0 HA GLN A 33 4.689 3.530 -3.601 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.178 1.121 -4.642 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.077 1.972 -5.708 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.040 3.078 -6.181 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.399 4.113 -4.920 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.238 1.008 -5.055 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.483 1.503 -3.902 1.00 0.00 H new ATOM 473 N VAL A 34 2.421 2.614 -3.872 1.00 0.00 N ATOM 474 CA VAL A 34 1.059 2.112 -4.012 1.00 0.00 C ATOM 475 C VAL A 34 0.869 1.406 -5.350 1.00 0.00 C ATOM 476 O VAL A 34 1.438 1.812 -6.365 1.00 0.00 O ATOM 477 CB VAL A 34 0.027 3.249 -3.893 1.00 0.00 C ATOM 478 CG1 VAL A 34 -1.383 2.712 -4.086 1.00 0.00 C ATOM 479 CG2 VAL A 34 0.160 3.950 -2.549 1.00 0.00 C ATOM 0 H VAL A 34 2.497 3.631 -3.861 1.00 0.00 H new ATOM 0 HA VAL A 34 0.899 1.400 -3.202 1.00 0.00 H new ATOM 0 HB VAL A 34 0.223 3.979 -4.679 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.099 3.529 -3.999 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.468 2.259 -5.074 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.594 1.962 -3.324 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.577 4.751 -2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.009 3.233 -1.746 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.162 4.370 -2.455 1.00 0.00 H new ATOM 489 N LEU A 35 0.066 0.349 -5.346 1.00 0.00 N ATOM 490 CA LEU A 35 -0.201 -0.415 -6.561 1.00 0.00 C ATOM 491 C LEU A 35 -1.690 -0.412 -6.889 1.00 0.00 C ATOM 492 O LEU A 35 -2.078 -0.345 -8.055 1.00 0.00 O ATOM 493 CB LEU A 35 0.295 -1.853 -6.402 1.00 0.00 C ATOM 494 CG LEU A 35 1.801 -2.025 -6.198 1.00 0.00 C ATOM 495 CD1 LEU A 35 2.148 -3.492 -5.996 1.00 0.00 C ATOM 496 CD2 LEU A 35 2.568 -1.451 -7.380 1.00 0.00 C ATOM 0 H LEU A 35 -0.412 0.000 -4.515 1.00 0.00 H new ATOM 0 HA LEU A 35 0.335 0.058 -7.384 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.220 -2.302 -5.553 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.002 -2.417 -7.287 1.00 0.00 H new ATOM 0 HG LEU A 35 2.092 -1.478 -5.302 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.224 -3.595 -5.852 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.627 -3.872 -5.117 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.843 -4.062 -6.873 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.638 -1.582 -7.218 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.273 -1.970 -8.292 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.343 -0.389 -7.478 1.00 0.00 H new ATOM 508 N ALA A 36 -2.520 -0.483 -5.854 1.00 0.00 N ATOM 509 CA ALA A 36 -3.967 -0.485 -6.032 1.00 0.00 C ATOM 510 C ALA A 36 -4.685 -0.347 -4.694 1.00 0.00 C ATOM 511 O ALA A 36 -4.050 -0.215 -3.648 1.00 0.00 O ATOM 512 CB ALA A 36 -4.409 -1.755 -6.743 1.00 0.00 C ATOM 0 H ALA A 36 -2.215 -0.540 -4.882 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.234 0.374 -6.647 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.492 -1.743 -6.869 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.930 -1.810 -7.721 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.122 -2.623 -6.149 1.00 0.00 H new ATOM 518 N VAL A 37 -6.013 -0.378 -4.735 1.00 0.00 N ATOM 519 CA VAL A 37 -6.818 -0.258 -3.525 1.00 0.00 C ATOM 520 C VAL A 37 -7.751 -1.453 -3.364 1.00 0.00 C ATOM 521 O VAL A 37 -8.298 -1.962 -4.341 1.00 0.00 O ATOM 522 CB VAL A 37 -7.656 1.035 -3.535 1.00 0.00 C ATOM 523 CG1 VAL A 37 -8.657 1.032 -2.390 1.00 0.00 C ATOM 524 CG2 VAL A 37 -6.751 2.256 -3.460 1.00 0.00 C ATOM 0 H VAL A 37 -6.554 -0.485 -5.593 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.124 -0.227 -2.685 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.212 1.080 -4.471 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.239 1.953 -2.414 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -9.325 0.177 -2.493 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -8.125 0.964 -1.441 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.359 3.161 -3.468 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.167 2.220 -2.541 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.078 2.263 -4.318 1.00 0.00 H new ATOM 534 N ASN A 38 -7.928 -1.895 -2.124 1.00 0.00 N ATOM 535 CA ASN A 38 -8.795 -3.032 -1.834 1.00 0.00 C ATOM 536 C ASN A 38 -10.128 -2.565 -1.256 1.00 0.00 C ATOM 537 O ASN A 38 -10.218 -1.487 -0.670 1.00 0.00 O ATOM 538 CB ASN A 38 -8.109 -3.987 -0.855 1.00 0.00 C ATOM 539 CG ASN A 38 -9.070 -5.002 -0.268 1.00 0.00 C ATOM 540 OD1 ASN A 38 -9.890 -5.582 -0.980 1.00 0.00 O ATOM 541 ND2 ASN A 38 -8.974 -5.220 1.039 1.00 0.00 N ATOM 0 H ASN A 38 -7.483 -1.484 -1.303 1.00 0.00 H new ATOM 0 HA ASN A 38 -8.988 -3.558 -2.769 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.301 -4.510 -1.367 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.655 -3.412 -0.048 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -9.595 -5.891 1.491 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.279 -4.716 1.590 1.00 0.00 H new ATOM 548 N GLN A 39 -11.160 -3.386 -1.427 1.00 0.00 N ATOM 549 CA GLN A 39 -12.488 -3.057 -0.923 1.00 0.00 C ATOM 550 C GLN A 39 -12.449 -2.786 0.577 1.00 0.00 C ATOM 551 O GLN A 39 -13.349 -2.151 1.125 1.00 0.00 O ATOM 552 CB GLN A 39 -13.466 -4.194 -1.223 1.00 0.00 C ATOM 553 CG GLN A 39 -13.695 -4.424 -2.708 1.00 0.00 C ATOM 554 CD GLN A 39 -14.472 -3.297 -3.360 1.00 0.00 C ATOM 555 OE1 GLN A 39 -13.889 -2.359 -3.905 1.00 0.00 O ATOM 556 NE2 GLN A 39 -15.796 -3.382 -3.308 1.00 0.00 N ATOM 0 H GLN A 39 -11.102 -4.282 -1.910 1.00 0.00 H new ATOM 0 HA GLN A 39 -12.827 -2.153 -1.428 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.089 -5.114 -0.775 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -14.421 -3.975 -0.746 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.732 -4.533 -3.208 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -14.235 -5.361 -2.848 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -16.238 -4.177 -2.846 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -16.371 -2.653 -3.730 1.00 0.00 H new ATOM 565 N GLN A 40 -11.401 -3.273 1.234 1.00 0.00 N ATOM 566 CA GLN A 40 -11.247 -3.083 2.672 1.00 0.00 C ATOM 567 C GLN A 40 -10.645 -1.716 2.979 1.00 0.00 C ATOM 568 O GLN A 40 -10.133 -1.484 4.074 1.00 0.00 O ATOM 569 CB GLN A 40 -10.365 -4.186 3.261 1.00 0.00 C ATOM 570 CG GLN A 40 -10.449 -4.288 4.775 1.00 0.00 C ATOM 571 CD GLN A 40 -11.530 -5.245 5.236 1.00 0.00 C ATOM 572 OE1 GLN A 40 -12.696 -5.109 4.864 1.00 0.00 O ATOM 573 NE2 GLN A 40 -11.148 -6.222 6.052 1.00 0.00 N ATOM 0 H GLN A 40 -10.647 -3.801 0.794 1.00 0.00 H new ATOM 0 HA GLN A 40 -12.236 -3.135 3.128 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.653 -5.142 2.824 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -9.329 -4.004 2.974 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -9.487 -4.617 5.167 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -10.642 -3.300 5.192 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -10.171 -6.297 6.335 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -11.832 -6.896 6.395 1.00 0.00 H new ATOM 582 N ASN A 41 -10.711 -0.813 2.006 1.00 0.00 N ATOM 583 CA ASN A 41 -10.172 0.531 2.172 1.00 0.00 C ATOM 584 C ASN A 41 -8.663 0.489 2.395 1.00 0.00 C ATOM 585 O ASN A 41 -8.106 1.328 3.102 1.00 0.00 O ATOM 586 CB ASN A 41 -10.853 1.234 3.349 1.00 0.00 C ATOM 587 CG ASN A 41 -12.102 1.985 2.930 1.00 0.00 C ATOM 588 OD1 ASN A 41 -13.216 1.474 3.048 1.00 0.00 O ATOM 589 ND2 ASN A 41 -11.921 3.204 2.437 1.00 0.00 N ATOM 0 H ASN A 41 -11.133 -0.988 1.094 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.371 1.091 1.258 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -11.113 0.496 4.108 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.151 1.930 3.809 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -12.724 3.757 2.138 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.979 3.587 2.358 1.00 0.00 H new ATOM 596 N MET A 42 -8.008 -0.494 1.786 1.00 0.00 N ATOM 597 CA MET A 42 -6.564 -0.645 1.915 1.00 0.00 C ATOM 598 C MET A 42 -5.863 -0.316 0.601 1.00 0.00 C ATOM 599 O MET A 42 -6.504 -0.200 -0.443 1.00 0.00 O ATOM 600 CB MET A 42 -6.215 -2.070 2.351 1.00 0.00 C ATOM 601 CG MET A 42 -6.832 -2.467 3.682 1.00 0.00 C ATOM 602 SD MET A 42 -5.845 -1.932 5.092 1.00 0.00 S ATOM 603 CE MET A 42 -4.353 -2.891 4.844 1.00 0.00 C ATOM 0 H MET A 42 -8.455 -1.198 1.198 1.00 0.00 H new ATOM 0 HA MET A 42 -6.217 0.055 2.676 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.548 -2.768 1.583 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.131 -2.165 2.420 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.830 -2.036 3.758 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.949 -3.550 3.715 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.725 -2.822 5.732 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.616 -3.934 4.665 1.00 0.00 H new ATOM 0 HE3 MET A 42 -3.809 -2.502 3.984 1.00 0.00 H new ATOM 613 N CYS A 43 -4.544 -0.168 0.661 1.00 0.00 N ATOM 614 CA CYS A 43 -3.756 0.149 -0.525 1.00 0.00 C ATOM 615 C CYS A 43 -2.576 -0.807 -0.665 1.00 0.00 C ATOM 616 O CYS A 43 -1.696 -0.854 0.196 1.00 0.00 O ATOM 617 CB CYS A 43 -3.254 1.592 -0.459 1.00 0.00 C ATOM 618 SG CYS A 43 -4.507 2.829 -0.870 1.00 0.00 S ATOM 0 H CYS A 43 -3.998 -0.262 1.517 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.398 0.035 -1.398 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.880 1.790 0.545 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.411 1.704 -1.141 1.00 0.00 H new ATOM 0 HG CYS A 43 -3.988 4.018 -0.784 1.00 0.00 H new ATOM 624 N LEU A 44 -2.564 -1.569 -1.753 1.00 0.00 N ATOM 625 CA LEU A 44 -1.492 -2.526 -2.006 1.00 0.00 C ATOM 626 C LEU A 44 -0.180 -1.808 -2.304 1.00 0.00 C ATOM 627 O LEU A 44 0.035 -1.322 -3.415 1.00 0.00 O ATOM 628 CB LEU A 44 -1.864 -3.441 -3.174 1.00 0.00 C ATOM 629 CG LEU A 44 -0.818 -4.484 -3.569 1.00 0.00 C ATOM 630 CD1 LEU A 44 -0.584 -5.464 -2.429 1.00 0.00 C ATOM 631 CD2 LEU A 44 -1.248 -5.220 -4.829 1.00 0.00 C ATOM 0 H LEU A 44 -3.285 -1.543 -2.474 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.358 -3.130 -1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.789 -3.960 -2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.074 -2.819 -4.044 1.00 0.00 H new ATOM 0 HG LEU A 44 0.120 -3.969 -3.776 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.163 -6.199 -2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.230 -4.923 -1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.518 -5.973 -2.189 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.492 -5.958 -5.095 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.199 -5.723 -4.650 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.362 -4.507 -5.646 1.00 0.00 H new ATOM 643 N VAL A 45 0.695 -1.747 -1.306 1.00 0.00 N ATOM 644 CA VAL A 45 1.988 -1.091 -1.462 1.00 0.00 C ATOM 645 C VAL A 45 3.118 -2.113 -1.524 1.00 0.00 C ATOM 646 O VAL A 45 3.017 -3.202 -0.958 1.00 0.00 O ATOM 647 CB VAL A 45 2.262 -0.108 -0.309 1.00 0.00 C ATOM 648 CG1 VAL A 45 1.129 0.898 -0.185 1.00 0.00 C ATOM 649 CG2 VAL A 45 2.463 -0.862 0.997 1.00 0.00 C ATOM 0 H VAL A 45 0.532 -2.144 -0.381 1.00 0.00 H new ATOM 0 HA VAL A 45 1.951 -0.537 -2.400 1.00 0.00 H new ATOM 0 HB VAL A 45 3.178 0.439 -0.530 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.340 1.584 0.635 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.038 1.460 -1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.195 0.372 0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.656 -0.152 1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.566 -1.436 1.227 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.312 -1.539 0.900 1.00 0.00 H new ATOM 659 N TYR A 46 4.195 -1.755 -2.215 1.00 0.00 N ATOM 660 CA TYR A 46 5.345 -2.641 -2.352 1.00 0.00 C ATOM 661 C TYR A 46 6.491 -2.191 -1.452 1.00 0.00 C ATOM 662 O TYR A 46 7.089 -1.138 -1.671 1.00 0.00 O ATOM 663 CB TYR A 46 5.811 -2.683 -3.808 1.00 0.00 C ATOM 664 CG TYR A 46 7.010 -3.577 -4.035 1.00 0.00 C ATOM 665 CD1 TYR A 46 8.295 -3.136 -3.745 1.00 0.00 C ATOM 666 CD2 TYR A 46 6.856 -4.863 -4.537 1.00 0.00 C ATOM 667 CE1 TYR A 46 9.393 -3.949 -3.951 1.00 0.00 C ATOM 668 CE2 TYR A 46 7.948 -5.684 -4.745 1.00 0.00 C ATOM 669 CZ TYR A 46 9.214 -5.222 -4.451 1.00 0.00 C ATOM 670 OH TYR A 46 10.305 -6.035 -4.656 1.00 0.00 O ATOM 0 H TYR A 46 4.295 -0.857 -2.689 1.00 0.00 H new ATOM 0 HA TYR A 46 5.039 -3.641 -2.046 1.00 0.00 H new ATOM 0 HB2 TYR A 46 4.988 -3.027 -4.434 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.056 -1.671 -4.132 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.438 -2.140 -3.352 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.866 -5.227 -4.769 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.385 -3.590 -3.722 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.811 -6.682 -5.135 1.00 0.00 H new ATOM 0 HH TYR A 46 10.007 -6.899 -5.011 1.00 0.00 H new ATOM 680 N GLN A 47 6.791 -2.997 -0.439 1.00 0.00 N ATOM 681 CA GLN A 47 7.865 -2.682 0.495 1.00 0.00 C ATOM 682 C GLN A 47 9.180 -3.310 0.045 1.00 0.00 C ATOM 683 O GLN A 47 9.374 -4.523 0.120 1.00 0.00 O ATOM 684 CB GLN A 47 7.508 -3.171 1.900 1.00 0.00 C ATOM 685 CG GLN A 47 8.684 -3.169 2.863 1.00 0.00 C ATOM 686 CD GLN A 47 8.253 -3.277 4.312 1.00 0.00 C ATOM 687 OE1 GLN A 47 7.701 -4.294 4.733 1.00 0.00 O ATOM 688 NE2 GLN A 47 8.503 -2.226 5.084 1.00 0.00 N ATOM 0 H GLN A 47 6.306 -3.873 -0.244 1.00 0.00 H new ATOM 0 HA GLN A 47 7.988 -1.599 0.515 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.717 -2.540 2.305 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.106 -4.182 1.832 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.347 -4.000 2.622 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.259 -2.253 2.726 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.963 -1.404 4.693 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.235 -2.241 6.068 1.00 0.00 H new ATOM 697 N PRO A 48 10.105 -2.466 -0.435 1.00 0.00 N ATOM 698 CA PRO A 48 11.418 -2.916 -0.907 1.00 0.00 C ATOM 699 C PRO A 48 12.309 -3.400 0.231 1.00 0.00 C ATOM 700 O PRO A 48 12.058 -3.101 1.398 1.00 0.00 O ATOM 701 CB PRO A 48 12.011 -1.662 -1.555 1.00 0.00 C ATOM 702 CG PRO A 48 11.329 -0.526 -0.874 1.00 0.00 C ATOM 703 CD PRO A 48 9.941 -1.007 -0.554 1.00 0.00 C ATOM 0 HA PRO A 48 11.338 -3.766 -1.585 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.091 -1.617 -1.415 1.00 0.00 H new ATOM 0 HB3 PRO A 48 11.828 -1.647 -2.629 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.861 -0.239 0.033 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.298 0.353 -1.518 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.567 -0.568 0.371 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.233 -0.745 -1.341 1.00 0.00 H new ATOM 711 N ALA A 49 13.350 -4.149 -0.116 1.00 0.00 N ATOM 712 CA ALA A 49 14.280 -4.672 0.878 1.00 0.00 C ATOM 713 C ALA A 49 14.537 -3.651 1.980 1.00 0.00 C ATOM 714 O ALA A 49 15.018 -2.548 1.718 1.00 0.00 O ATOM 715 CB ALA A 49 15.588 -5.077 0.215 1.00 0.00 C ATOM 0 H ALA A 49 13.571 -4.407 -1.078 1.00 0.00 H new ATOM 0 HA ALA A 49 13.828 -5.553 1.334 1.00 0.00 H new ATOM 0 HB1 ALA A 49 16.273 -5.466 0.969 1.00 0.00 H new ATOM 0 HB2 ALA A 49 15.394 -5.848 -0.531 1.00 0.00 H new ATOM 0 HB3 ALA A 49 16.035 -4.208 -0.268 1.00 0.00 H new ATOM 721 N SER A 50 14.214 -4.024 3.214 1.00 0.00 N ATOM 722 CA SER A 50 14.407 -3.138 4.356 1.00 0.00 C ATOM 723 C SER A 50 14.759 -3.935 5.609 1.00 0.00 C ATOM 724 O SER A 50 14.292 -5.059 5.795 1.00 0.00 O ATOM 725 CB SER A 50 13.145 -2.309 4.604 1.00 0.00 C ATOM 726 OG SER A 50 12.129 -3.094 5.204 1.00 0.00 O ATOM 0 H SER A 50 13.817 -4.934 3.449 1.00 0.00 H new ATOM 0 HA SER A 50 15.235 -2.467 4.128 1.00 0.00 H new ATOM 0 HB2 SER A 50 13.383 -1.462 5.248 1.00 0.00 H new ATOM 0 HB3 SER A 50 12.783 -1.900 3.661 1.00 0.00 H new ATOM 0 HG SER A 50 12.084 -3.966 4.759 1.00 0.00 H new ATOM 732 N ASP A 51 15.586 -3.345 6.464 1.00 0.00 N ATOM 733 CA ASP A 51 16.002 -3.998 7.700 1.00 0.00 C ATOM 734 C ASP A 51 14.854 -4.804 8.302 1.00 0.00 C ATOM 735 O ASP A 51 15.002 -5.990 8.596 1.00 0.00 O ATOM 736 CB ASP A 51 16.496 -2.960 8.709 1.00 0.00 C ATOM 737 CG ASP A 51 17.334 -3.578 9.811 1.00 0.00 C ATOM 738 OD1 ASP A 51 18.391 -4.164 9.495 1.00 0.00 O ATOM 739 OD2 ASP A 51 16.934 -3.476 10.990 1.00 0.00 O ATOM 0 H ASP A 51 15.982 -2.415 6.324 1.00 0.00 H new ATOM 0 HA ASP A 51 16.818 -4.681 7.464 1.00 0.00 H new ATOM 0 HB2 ASP A 51 17.085 -2.204 8.189 1.00 0.00 H new ATOM 0 HB3 ASP A 51 15.640 -2.450 9.150 1.00 0.00 H new ATOM 744 N HIS A 52 13.711 -4.150 8.483 1.00 0.00 N ATOM 745 CA HIS A 52 12.537 -4.806 9.050 1.00 0.00 C ATOM 746 C HIS A 52 12.180 -6.060 8.258 1.00 0.00 C ATOM 747 O HIS A 52 12.169 -7.165 8.800 1.00 0.00 O ATOM 748 CB HIS A 52 11.349 -3.844 9.068 1.00 0.00 C ATOM 749 CG HIS A 52 11.558 -2.650 9.949 1.00 0.00 C ATOM 750 ND1 HIS A 52 12.694 -2.038 10.355 1.00 0.00 N flip ATOM 751 CD2 HIS A 52 10.519 -1.946 10.521 1.00 0.00 C flip ATOM 752 CE1 HIS A 52 12.326 -0.986 11.157 1.00 0.00 C flip ATOM 753 NE2 HIS A 52 11.008 -0.952 11.240 1.00 0.00 N flip ATOM 0 H HIS A 52 13.572 -3.168 8.246 1.00 0.00 H new ATOM 0 HA HIS A 52 12.773 -5.099 10.073 1.00 0.00 H new ATOM 0 HB2 HIS A 52 11.151 -3.505 8.051 1.00 0.00 H new ATOM 0 HB3 HIS A 52 10.462 -4.381 9.403 1.00 0.00 H new ATOM 0 HD2 HIS A 52 9.470 -2.172 10.400 1.00 0.00 H new ATOM 0 HE1 HIS A 52 13.004 -0.298 11.641 1.00 0.00 H new ATOM 0 HE2 HIS A 52 10.461 -0.273 11.770 1.00 0.00 H new ATOM 762 N SER A 53 11.888 -5.880 6.974 1.00 0.00 N ATOM 763 CA SER A 53 11.526 -6.997 6.109 1.00 0.00 C ATOM 764 C SER A 53 12.076 -6.794 4.701 1.00 0.00 C ATOM 765 O SER A 53 12.172 -5.673 4.200 1.00 0.00 O ATOM 766 CB SER A 53 10.005 -7.156 6.057 1.00 0.00 C ATOM 767 OG SER A 53 9.614 -7.963 4.959 1.00 0.00 O ATOM 0 H SER A 53 11.895 -4.972 6.510 1.00 0.00 H new ATOM 0 HA SER A 53 11.965 -7.904 6.524 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.651 -7.604 6.986 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.536 -6.175 5.977 1.00 0.00 H new ATOM 0 HG SER A 53 8.638 -8.051 4.949 1.00 0.00 H new ATOM 773 N PRO A 54 12.446 -7.904 4.045 1.00 0.00 N ATOM 774 CA PRO A 54 12.992 -7.875 2.685 1.00 0.00 C ATOM 775 C PRO A 54 11.943 -7.494 1.647 1.00 0.00 C ATOM 776 O PRO A 54 10.765 -7.341 1.968 1.00 0.00 O ATOM 777 CB PRO A 54 13.467 -9.313 2.463 1.00 0.00 C ATOM 778 CG PRO A 54 12.627 -10.135 3.378 1.00 0.00 C ATOM 779 CD PRO A 54 12.359 -9.272 4.581 1.00 0.00 C ATOM 0 HA PRO A 54 13.780 -7.130 2.578 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.336 -9.617 1.425 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.527 -9.420 2.695 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.696 -10.430 2.894 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.143 -11.052 3.663 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.377 -9.474 5.010 1.00 0.00 H new ATOM 0 HD3 PRO A 54 13.092 -9.442 5.369 1.00 0.00 H new ATOM 787 N ALA A 55 12.378 -7.341 0.400 1.00 0.00 N ATOM 788 CA ALA A 55 11.475 -6.980 -0.686 1.00 0.00 C ATOM 789 C ALA A 55 10.215 -7.839 -0.660 1.00 0.00 C ATOM 790 O ALA A 55 10.286 -9.065 -0.737 1.00 0.00 O ATOM 791 CB ALA A 55 12.182 -7.116 -2.026 1.00 0.00 C ATOM 0 H ALA A 55 13.351 -7.462 0.117 1.00 0.00 H new ATOM 0 HA ALA A 55 11.177 -5.941 -0.549 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.496 -6.843 -2.828 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.049 -6.455 -2.049 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.508 -8.147 -2.162 1.00 0.00 H new ATOM 797 N ALA A 56 9.063 -7.186 -0.550 1.00 0.00 N ATOM 798 CA ALA A 56 7.787 -7.890 -0.516 1.00 0.00 C ATOM 799 C ALA A 56 6.625 -6.932 -0.757 1.00 0.00 C ATOM 800 O ALA A 56 6.756 -5.724 -0.569 1.00 0.00 O ATOM 801 CB ALA A 56 7.615 -8.606 0.816 1.00 0.00 C ATOM 0 H ALA A 56 8.987 -6.171 -0.483 1.00 0.00 H new ATOM 0 HA ALA A 56 7.786 -8.629 -1.317 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.658 -9.128 0.828 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.422 -9.326 0.949 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.641 -7.878 1.627 1.00 0.00 H new ATOM 807 N GLU A 57 5.488 -7.481 -1.175 1.00 0.00 N ATOM 808 CA GLU A 57 4.304 -6.674 -1.443 1.00 0.00 C ATOM 809 C GLU A 57 3.250 -6.878 -0.359 1.00 0.00 C ATOM 810 O GLU A 57 2.758 -7.987 -0.157 1.00 0.00 O ATOM 811 CB GLU A 57 3.719 -7.026 -2.812 1.00 0.00 C ATOM 812 CG GLU A 57 2.966 -5.880 -3.466 1.00 0.00 C ATOM 813 CD GLU A 57 2.262 -6.297 -4.742 1.00 0.00 C ATOM 814 OE1 GLU A 57 1.147 -6.852 -4.652 1.00 0.00 O ATOM 815 OE2 GLU A 57 2.827 -6.067 -5.832 1.00 0.00 O ATOM 0 H GLU A 57 5.363 -8.481 -1.335 1.00 0.00 H new ATOM 0 HA GLU A 57 4.602 -5.626 -1.442 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.527 -7.342 -3.472 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.046 -7.876 -2.702 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.232 -5.485 -2.763 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.663 -5.072 -3.688 1.00 0.00 H new ATOM 822 N GLY A 58 2.908 -5.797 0.337 1.00 0.00 N ATOM 823 CA GLY A 58 1.915 -5.878 1.392 1.00 0.00 C ATOM 824 C GLY A 58 0.902 -4.753 1.322 1.00 0.00 C ATOM 825 O GLY A 58 1.191 -3.681 0.791 1.00 0.00 O ATOM 0 H GLY A 58 3.301 -4.868 0.189 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.396 -6.834 1.326 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.415 -5.853 2.360 1.00 0.00 H new ATOM 829 N TRP A 59 -0.289 -4.997 1.857 1.00 0.00 N ATOM 830 CA TRP A 59 -1.349 -3.996 1.851 1.00 0.00 C ATOM 831 C TRP A 59 -1.274 -3.116 3.094 1.00 0.00 C ATOM 832 O TRP A 59 -0.994 -3.598 4.192 1.00 0.00 O ATOM 833 CB TRP A 59 -2.719 -4.674 1.774 1.00 0.00 C ATOM 834 CG TRP A 59 -2.958 -5.381 0.474 1.00 0.00 C ATOM 835 CD1 TRP A 59 -2.464 -6.598 0.101 1.00 0.00 C ATOM 836 CD2 TRP A 59 -3.750 -4.913 -0.623 1.00 0.00 C ATOM 837 NE1 TRP A 59 -2.902 -6.915 -1.163 1.00 0.00 N ATOM 838 CE2 TRP A 59 -3.693 -5.898 -1.628 1.00 0.00 C ATOM 839 CE3 TRP A 59 -4.504 -3.759 -0.853 1.00 0.00 C ATOM 840 CZ2 TRP A 59 -4.359 -5.761 -2.843 1.00 0.00 C ATOM 841 CZ3 TRP A 59 -5.165 -3.624 -2.059 1.00 0.00 C ATOM 842 CH2 TRP A 59 -5.090 -4.621 -3.041 1.00 0.00 C ATOM 0 H TRP A 59 -0.545 -5.879 2.300 1.00 0.00 H new ATOM 0 HA TRP A 59 -1.213 -3.365 0.973 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.809 -5.390 2.591 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -3.497 -3.924 1.920 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -1.824 -7.220 0.709 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.675 -7.769 -1.672 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.569 -2.986 -0.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -4.301 -6.527 -3.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.749 -2.735 -2.248 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -5.620 -4.487 -3.973 1.00 0.00 H new ATOM 853 N VAL A 60 -1.525 -1.823 2.915 1.00 0.00 N ATOM 854 CA VAL A 60 -1.486 -0.876 4.022 1.00 0.00 C ATOM 855 C VAL A 60 -2.612 0.146 3.911 1.00 0.00 C ATOM 856 O VAL A 60 -3.071 0.485 2.820 1.00 0.00 O ATOM 857 CB VAL A 60 -0.138 -0.133 4.079 1.00 0.00 C ATOM 858 CG1 VAL A 60 1.017 -1.123 4.096 1.00 0.00 C ATOM 859 CG2 VAL A 60 -0.010 0.828 2.908 1.00 0.00 C ATOM 0 H VAL A 60 -1.758 -1.408 2.013 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.612 -1.455 4.937 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.101 0.447 5.001 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.961 -0.580 4.136 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.931 -1.767 4.971 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.987 -1.732 3.193 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.948 1.344 2.964 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.068 0.271 1.973 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.818 1.558 2.946 1.00 0.00 H new ATOM 869 N PRO A 61 -3.070 0.650 5.067 1.00 0.00 N ATOM 870 CA PRO A 61 -4.148 1.642 5.126 1.00 0.00 C ATOM 871 C PRO A 61 -3.714 3.003 4.591 1.00 0.00 C ATOM 872 O PRO A 61 -2.591 3.445 4.829 1.00 0.00 O ATOM 873 CB PRO A 61 -4.466 1.732 6.620 1.00 0.00 C ATOM 874 CG PRO A 61 -3.207 1.317 7.301 1.00 0.00 C ATOM 875 CD PRO A 61 -2.570 0.291 6.404 1.00 0.00 C ATOM 0 HA PRO A 61 -5.001 1.354 4.511 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.754 2.744 6.903 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.295 1.078 6.888 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.545 2.170 7.450 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.415 0.899 8.286 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.482 0.336 6.452 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.860 -0.722 6.683 1.00 0.00 H new ATOM 883 N GLY A 62 -4.612 3.663 3.866 1.00 0.00 N ATOM 884 CA GLY A 62 -4.303 4.967 3.309 1.00 0.00 C ATOM 885 C GLY A 62 -4.331 6.065 4.354 1.00 0.00 C ATOM 886 O GLY A 62 -4.242 7.247 4.024 1.00 0.00 O ATOM 0 H GLY A 62 -5.548 3.318 3.654 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.317 4.936 2.845 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.019 5.201 2.521 1.00 0.00 H new ATOM 890 N SER A 63 -4.457 5.674 5.618 1.00 0.00 N ATOM 891 CA SER A 63 -4.503 6.635 6.714 1.00 0.00 C ATOM 892 C SER A 63 -3.095 6.997 7.178 1.00 0.00 C ATOM 893 O SER A 63 -2.793 8.165 7.425 1.00 0.00 O ATOM 894 CB SER A 63 -5.307 6.066 7.885 1.00 0.00 C ATOM 895 OG SER A 63 -5.500 7.043 8.893 1.00 0.00 O ATOM 0 H SER A 63 -4.529 4.699 5.909 1.00 0.00 H new ATOM 0 HA SER A 63 -4.992 7.539 6.352 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.274 5.711 7.528 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.786 5.205 8.304 1.00 0.00 H new ATOM 0 HG SER A 63 -6.018 6.655 9.629 1.00 0.00 H new ATOM 901 N ILE A 64 -2.239 5.988 7.293 1.00 0.00 N ATOM 902 CA ILE A 64 -0.863 6.200 7.725 1.00 0.00 C ATOM 903 C ILE A 64 0.044 6.513 6.540 1.00 0.00 C ATOM 904 O ILE A 64 1.268 6.411 6.636 1.00 0.00 O ATOM 905 CB ILE A 64 -0.311 4.969 8.469 1.00 0.00 C ATOM 906 CG1 ILE A 64 -0.064 3.822 7.488 1.00 0.00 C ATOM 907 CG2 ILE A 64 -1.272 4.538 9.566 1.00 0.00 C ATOM 908 CD1 ILE A 64 0.757 2.693 8.072 1.00 0.00 C ATOM 0 H ILE A 64 -2.474 5.016 7.093 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.874 7.052 8.405 1.00 0.00 H new ATOM 0 HB ILE A 64 0.639 5.238 8.931 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.024 3.427 7.154 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.445 4.212 6.606 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.868 3.667 10.082 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.402 5.354 10.277 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.236 4.284 9.126 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.892 1.915 7.321 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.731 3.073 8.380 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.240 2.276 8.936 1.00 0.00 H new ATOM 920 N LEU A 65 -0.564 6.895 5.422 1.00 0.00 N ATOM 921 CA LEU A 65 0.189 7.226 4.217 1.00 0.00 C ATOM 922 C LEU A 65 0.062 8.709 3.885 1.00 0.00 C ATOM 923 O LEU A 65 -0.995 9.310 4.075 1.00 0.00 O ATOM 924 CB LEU A 65 -0.303 6.384 3.038 1.00 0.00 C ATOM 925 CG LEU A 65 -0.014 4.885 3.116 1.00 0.00 C ATOM 926 CD1 LEU A 65 -0.450 4.189 1.836 1.00 0.00 C ATOM 927 CD2 LEU A 65 1.465 4.640 3.381 1.00 0.00 C ATOM 0 H LEU A 65 -1.576 6.983 5.325 1.00 0.00 H new ATOM 0 HA LEU A 65 1.240 7.003 4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.380 6.521 2.944 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.149 6.774 2.126 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.586 4.467 3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.236 3.123 1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.520 4.335 1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.093 4.610 0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.652 3.568 3.433 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.056 5.073 2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.747 5.104 4.326 1.00 0.00 H new ATOM 939 N ALA A 66 1.147 9.293 3.387 1.00 0.00 N ATOM 940 CA ALA A 66 1.156 10.705 3.025 1.00 0.00 C ATOM 941 C ALA A 66 1.852 10.924 1.686 1.00 0.00 C ATOM 942 O ALA A 66 2.717 10.150 1.275 1.00 0.00 O ATOM 943 CB ALA A 66 1.833 11.525 4.114 1.00 0.00 C ATOM 0 H ALA A 66 2.031 8.810 3.225 1.00 0.00 H new ATOM 0 HA ALA A 66 0.122 11.036 2.926 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.833 12.577 3.830 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.292 11.402 5.052 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.860 11.184 4.241 1.00 0.00 H new ATOM 949 N PRO A 67 1.467 12.003 0.988 1.00 0.00 N ATOM 950 CA PRO A 67 2.042 12.348 -0.316 1.00 0.00 C ATOM 951 C PRO A 67 3.490 12.814 -0.206 1.00 0.00 C ATOM 952 O PRO A 67 3.757 13.986 0.061 1.00 0.00 O ATOM 953 CB PRO A 67 1.148 13.490 -0.806 1.00 0.00 C ATOM 954 CG PRO A 67 0.595 14.098 0.436 1.00 0.00 C ATOM 955 CD PRO A 67 0.442 12.969 1.417 1.00 0.00 C ATOM 0 HA PRO A 67 2.070 11.491 -0.989 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.717 14.218 -1.384 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.353 13.120 -1.454 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.263 14.866 0.826 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.364 14.579 0.242 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.607 13.302 2.442 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.558 12.537 1.380 1.00 0.00 H new ATOM 963 N PHE A 68 4.421 11.890 -0.414 1.00 0.00 N ATOM 964 CA PHE A 68 5.843 12.206 -0.338 1.00 0.00 C ATOM 965 C PHE A 68 6.264 13.099 -1.502 1.00 0.00 C ATOM 966 O PHE A 68 5.506 13.301 -2.450 1.00 0.00 O ATOM 967 CB PHE A 68 6.674 10.921 -0.339 1.00 0.00 C ATOM 968 CG PHE A 68 8.138 11.154 -0.102 1.00 0.00 C ATOM 969 CD1 PHE A 68 8.569 11.878 0.998 1.00 0.00 C ATOM 970 CD2 PHE A 68 9.085 10.651 -0.980 1.00 0.00 C ATOM 971 CE1 PHE A 68 9.916 12.094 1.220 1.00 0.00 C ATOM 972 CE2 PHE A 68 10.433 10.863 -0.764 1.00 0.00 C ATOM 973 CZ PHE A 68 10.849 11.587 0.337 1.00 0.00 C ATOM 0 H PHE A 68 4.217 10.916 -0.637 1.00 0.00 H new ATOM 0 HA PHE A 68 6.021 12.744 0.593 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.292 10.250 0.430 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.545 10.415 -1.296 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.843 12.278 1.690 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.765 10.086 -1.843 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.238 12.658 2.083 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.161 10.463 -1.455 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.902 11.756 0.507 1.00 0.00 H new ATOM 983 N SER A 69 7.480 13.630 -1.422 1.00 0.00 N ATOM 984 CA SER A 69 8.002 14.505 -2.465 1.00 0.00 C ATOM 985 C SER A 69 9.527 14.489 -2.475 1.00 0.00 C ATOM 986 O SER A 69 10.164 14.353 -1.431 1.00 0.00 O ATOM 987 CB SER A 69 7.497 15.935 -2.262 1.00 0.00 C ATOM 988 OG SER A 69 6.120 16.040 -2.582 1.00 0.00 O ATOM 0 H SER A 69 8.122 13.469 -0.646 1.00 0.00 H new ATOM 0 HA SER A 69 7.646 14.135 -3.426 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.657 16.237 -1.227 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.072 16.619 -2.886 1.00 0.00 H new ATOM 0 HG SER A 69 5.738 15.143 -2.681 1.00 0.00 H new ATOM 994 N GLY A 70 10.107 14.630 -3.663 1.00 0.00 N ATOM 995 CA GLY A 70 11.553 14.629 -3.787 1.00 0.00 C ATOM 996 C GLY A 70 12.013 14.878 -5.210 1.00 0.00 C ATOM 997 O GLY A 70 11.208 14.977 -6.137 1.00 0.00 O ATOM 0 H GLY A 70 9.602 14.745 -4.541 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.971 15.395 -3.134 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.943 13.671 -3.445 1.00 0.00 H new ATOM 1001 N PRO A 71 13.336 14.984 -5.399 1.00 0.00 N ATOM 1002 CA PRO A 71 13.931 15.225 -6.717 1.00 0.00 C ATOM 1003 C PRO A 71 13.797 14.021 -7.643 1.00 0.00 C ATOM 1004 O PRO A 71 14.558 13.059 -7.539 1.00 0.00 O ATOM 1005 CB PRO A 71 15.404 15.492 -6.397 1.00 0.00 C ATOM 1006 CG PRO A 71 15.646 14.790 -5.106 1.00 0.00 C ATOM 1007 CD PRO A 71 14.354 14.876 -4.340 1.00 0.00 C ATOM 0 HA PRO A 71 13.439 16.043 -7.243 1.00 0.00 H new ATOM 0 HB2 PRO A 71 16.055 15.110 -7.183 1.00 0.00 H new ATOM 0 HB3 PRO A 71 15.603 16.560 -6.310 1.00 0.00 H new ATOM 0 HG2 PRO A 71 15.932 13.752 -5.274 1.00 0.00 H new ATOM 0 HG3 PRO A 71 16.460 15.259 -4.553 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.196 13.994 -3.719 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.337 15.741 -3.677 1.00 0.00 H new ATOM 1015 N SER A 72 12.826 14.082 -8.548 1.00 0.00 N ATOM 1016 CA SER A 72 12.590 12.994 -9.490 1.00 0.00 C ATOM 1017 C SER A 72 13.152 13.337 -10.866 1.00 0.00 C ATOM 1018 O SER A 72 13.674 14.431 -11.081 1.00 0.00 O ATOM 1019 CB SER A 72 11.093 12.700 -9.597 1.00 0.00 C ATOM 1020 OG SER A 72 10.630 11.990 -8.462 1.00 0.00 O ATOM 0 H SER A 72 12.190 14.873 -8.649 1.00 0.00 H new ATOM 0 HA SER A 72 13.101 12.106 -9.118 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.542 13.635 -9.694 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.897 12.119 -10.498 1.00 0.00 H new ATOM 0 HG SER A 72 9.670 11.816 -8.554 1.00 0.00 H new ATOM 1026 N SER A 73 13.042 12.393 -11.796 1.00 0.00 N ATOM 1027 CA SER A 73 13.542 12.592 -13.151 1.00 0.00 C ATOM 1028 C SER A 73 12.394 12.615 -14.156 1.00 0.00 C ATOM 1029 O SER A 73 11.908 11.569 -14.583 1.00 0.00 O ATOM 1030 CB SER A 73 14.534 11.487 -13.518 1.00 0.00 C ATOM 1031 OG SER A 73 15.687 11.542 -12.695 1.00 0.00 O ATOM 0 H SER A 73 12.611 11.483 -11.635 1.00 0.00 H new ATOM 0 HA SER A 73 14.052 13.555 -13.186 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.054 10.514 -13.413 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.825 11.588 -14.564 1.00 0.00 H new ATOM 0 HG SER A 73 16.304 10.824 -12.949 1.00 0.00 H new ATOM 1037 N GLY A 74 11.967 13.817 -14.529 1.00 0.00 N ATOM 1038 CA GLY A 74 10.880 13.956 -15.480 1.00 0.00 C ATOM 1039 C GLY A 74 9.817 14.928 -15.009 1.00 0.00 C ATOM 1040 O GLY A 74 9.726 15.230 -13.819 1.00 0.00 O ATOM 0 H GLY A 74 12.354 14.697 -14.190 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.279 14.295 -16.436 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.425 12.980 -15.652 1.00 0.00 H new TER 1044 GLY A 74