USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 570 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 84 THR OG1 : rot 140:sc= -1.85! USER MOD Set 1.2: A 85 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 17 GLN : amide:sc= 0 X(o=-1.6,f=-1.6) USER MOD Set 2.2: A 30 THR OG1 : rot 157:sc= -1.62! USER MOD Set 3.1: A 3 HIS : no HD1:sc= -0.799 K(o=-1.6,f=-0.14) USER MOD Set 3.2: A 13 SER OG : rot 180:sc= -0.817 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0185 USER MOD Single : A 8 SER OG : rot -63:sc= 1.14 USER MOD Single : A 12 TYR OH : rot -125:sc= 0.729 USER MOD Single : A 16 MET CE :methyl -157:sc=-0.00622 (180deg=-0.479) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -1.15 X(o=-1.1,f=-1.2) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -3.35! C(o=-3.4!,f=-7.8!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.388 X(o=-0.39,f=-0.39) USER MOD Single : A 46 THR OG1 : rot 30:sc= 0.113 USER MOD Single : A 47 TYR OH : rot 165:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0.125 K(o=0.13,f=-0.55) USER MOD Single : A 51 SER OG : rot 150:sc= -2.75! USER MOD Single : A 52 ASN : amide:sc= -1.18 X(o=-1.2,f=-0.86) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 30:sc= -2.05! USER MOD Single : A 63 ASN : amide:sc= -0.889 K(o=-0.89,f=0.26!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -19:sc= 0.851 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.283! USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= -0.714 K(o=-0.71,f=-1.6!) USER MOD Single : A 83 SER OG : rot 180:sc= -2.33! USER MOD Single : A 86 SER OG : rot 180:sc= 0.0748 USER MOD Single : A 87 ASN : amide:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.489 X(o=-0.49,f=0) USER MOD Single : A 92 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.0029) USER MOD Single : A 93 LYS NZ :NH3+ -168:sc= 0.029! (180deg=-0.856!) USER MOD Single : A 94 TYR OH : rot 178:sc= 0.353 USER MOD Single : A 95 SER OG : rot 85:sc= -1.7! USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 46.577 2.954 -40.075 1.00 0.00 N ATOM 32 CA HIS A 3 45.614 2.689 -39.015 1.00 0.00 C ATOM 33 C HIS A 3 46.033 3.368 -37.715 1.00 0.00 C ATOM 34 O HIS A 3 47.219 3.600 -37.479 1.00 0.00 O ATOM 35 CB HIS A 3 45.476 1.182 -38.796 1.00 0.00 C ATOM 36 CG HIS A 3 44.502 0.528 -39.726 1.00 0.00 C ATOM 37 ND1 HIS A 3 44.635 0.557 -41.099 1.00 0.00 N ATOM 38 CD2 HIS A 3 43.375 -0.181 -39.475 1.00 0.00 C ATOM 39 CE1 HIS A 3 43.633 -0.104 -41.651 1.00 0.00 C ATOM 40 NE2 HIS A 3 42.855 -0.562 -40.688 1.00 0.00 N ATOM 0 HA HIS A 3 44.651 3.097 -39.320 1.00 0.00 H new ATOM 0 HB2 HIS A 3 46.453 0.714 -38.919 1.00 0.00 H new ATOM 0 HB3 HIS A 3 45.163 1.000 -37.768 1.00 0.00 H new ATOM 0 HD2 HIS A 3 42.962 -0.405 -38.502 1.00 0.00 H new ATOM 0 HE1 HIS A 3 43.477 -0.246 -42.710 1.00 0.00 H new ATOM 0 HE2 HIS A 3 42.005 -1.110 -40.823 1.00 0.00 H new ATOM 49 N CYS A 4 45.052 3.678 -36.874 1.00 0.00 N ATOM 50 CA CYS A 4 45.319 4.326 -35.592 1.00 0.00 C ATOM 51 C CYS A 4 45.114 3.346 -34.443 1.00 0.00 C ATOM 52 O CYS A 4 44.136 2.604 -34.418 1.00 0.00 O ATOM 53 CB CYS A 4 44.412 5.548 -35.409 1.00 0.00 C ATOM 54 SG CYS A 4 42.849 5.465 -36.348 1.00 0.00 S ATOM 0 H CYS A 4 44.066 3.492 -37.055 1.00 0.00 H new ATOM 0 HA CYS A 4 46.358 4.657 -35.587 1.00 0.00 H new ATOM 0 HB2 CYS A 4 44.181 5.660 -34.350 1.00 0.00 H new ATOM 0 HB3 CYS A 4 44.958 6.441 -35.712 1.00 0.00 H new ATOM 59 N VAL A 5 46.043 3.343 -33.493 1.00 0.00 N ATOM 60 CA VAL A 5 45.955 2.445 -32.347 1.00 0.00 C ATOM 61 C VAL A 5 46.204 3.194 -31.042 1.00 0.00 C ATOM 62 O VAL A 5 47.198 3.906 -30.903 1.00 0.00 O ATOM 63 CB VAL A 5 46.966 1.290 -32.465 1.00 0.00 C ATOM 64 CG1 VAL A 5 46.762 0.284 -31.343 1.00 0.00 C ATOM 65 CG2 VAL A 5 46.849 0.616 -33.824 1.00 0.00 C ATOM 0 H VAL A 5 46.863 3.950 -33.493 1.00 0.00 H new ATOM 0 HA VAL A 5 44.945 2.036 -32.339 1.00 0.00 H new ATOM 0 HB VAL A 5 47.972 1.701 -32.374 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.486 -0.525 -31.443 1.00 0.00 H new ATOM 0 HG12 VAL A 5 46.901 0.778 -30.381 1.00 0.00 H new ATOM 0 HG13 VAL A 5 45.753 -0.123 -31.399 1.00 0.00 H new ATOM 0 HG21 VAL A 5 47.571 -0.198 -33.890 1.00 0.00 H new ATOM 0 HG22 VAL A 5 45.842 0.218 -33.947 1.00 0.00 H new ATOM 0 HG23 VAL A 5 47.050 1.344 -34.610 1.00 0.00 H new ATOM 75 N THR A 6 45.295 3.026 -30.087 1.00 0.00 N ATOM 76 CA THR A 6 45.418 3.686 -28.792 1.00 0.00 C ATOM 77 C THR A 6 46.706 3.274 -28.087 1.00 0.00 C ATOM 78 O THR A 6 47.437 4.116 -27.566 1.00 0.00 O ATOM 79 CB THR A 6 44.222 3.363 -27.879 1.00 0.00 C ATOM 80 OG1 THR A 6 44.093 1.945 -27.720 1.00 0.00 O ATOM 81 CG2 THR A 6 42.933 3.933 -28.454 1.00 0.00 C ATOM 0 H THR A 6 44.466 2.439 -30.185 1.00 0.00 H new ATOM 0 HA THR A 6 45.437 4.759 -28.985 1.00 0.00 H new ATOM 0 HB THR A 6 44.403 3.821 -26.907 1.00 0.00 H new ATOM 0 HG1 THR A 6 43.331 1.749 -27.136 1.00 0.00 H new ATOM 0 HG21 THR A 6 42.101 3.692 -27.792 1.00 0.00 H new ATOM 0 HG22 THR A 6 43.023 5.015 -28.545 1.00 0.00 H new ATOM 0 HG23 THR A 6 42.751 3.500 -29.438 1.00 0.00 H new ATOM 89 N ASP A 7 46.975 1.973 -28.075 1.00 0.00 N ATOM 90 CA ASP A 7 48.173 1.447 -27.433 1.00 0.00 C ATOM 91 C ASP A 7 48.283 -0.061 -27.633 1.00 0.00 C ATOM 92 O ASP A 7 49.380 -0.602 -27.764 1.00 0.00 O ATOM 93 CB ASP A 7 48.164 1.778 -25.939 1.00 0.00 C ATOM 94 CG ASP A 7 49.428 2.492 -25.498 1.00 0.00 C ATOM 95 OD1 ASP A 7 50.127 3.053 -26.366 1.00 0.00 O ATOM 96 OD2 ASP A 7 49.717 2.488 -24.282 1.00 0.00 O ATOM 0 H ASP A 7 46.379 1.264 -28.503 1.00 0.00 H new ATOM 0 HA ASP A 7 49.039 1.919 -27.897 1.00 0.00 H new ATOM 0 HB2 ASP A 7 47.299 2.402 -25.713 1.00 0.00 H new ATOM 0 HB3 ASP A 7 48.051 0.858 -25.366 1.00 0.00 H new ATOM 101 N SER A 8 47.137 -0.736 -27.654 1.00 0.00 N ATOM 102 CA SER A 8 47.104 -2.182 -27.838 1.00 0.00 C ATOM 103 C SER A 8 45.757 -2.756 -27.408 1.00 0.00 C ATOM 104 O SER A 8 45.681 -3.554 -26.473 1.00 0.00 O ATOM 105 CB SER A 8 48.230 -2.845 -27.043 1.00 0.00 C ATOM 106 OG SER A 8 47.950 -4.213 -26.802 1.00 0.00 O ATOM 0 H SER A 8 46.219 -0.304 -27.546 1.00 0.00 H new ATOM 0 HA SER A 8 47.246 -2.390 -28.899 1.00 0.00 H new ATOM 0 HB2 SER A 8 49.168 -2.754 -27.591 1.00 0.00 H new ATOM 0 HB3 SER A 8 48.363 -2.326 -26.094 1.00 0.00 H new ATOM 0 HG SER A 8 47.141 -4.290 -26.255 1.00 0.00 H new ATOM 112 N GLY A 9 44.697 -2.346 -28.095 1.00 0.00 N ATOM 113 CA GLY A 9 43.369 -2.830 -27.769 1.00 0.00 C ATOM 114 C GLY A 9 42.349 -2.499 -28.840 1.00 0.00 C ATOM 115 O GLY A 9 41.446 -3.289 -29.113 1.00 0.00 O ATOM 0 H GLY A 9 44.734 -1.687 -28.872 1.00 0.00 H new ATOM 0 HA2 GLY A 9 43.405 -3.910 -27.628 1.00 0.00 H new ATOM 0 HA3 GLY A 9 43.050 -2.395 -26.822 1.00 0.00 H new ATOM 119 N VAL A 10 42.495 -1.328 -29.450 1.00 0.00 N ATOM 120 CA VAL A 10 41.580 -0.892 -30.498 1.00 0.00 C ATOM 121 C VAL A 10 42.341 -0.339 -31.699 1.00 0.00 C ATOM 122 O VAL A 10 42.866 0.773 -31.657 1.00 0.00 O ATOM 123 CB VAL A 10 40.606 0.184 -29.984 1.00 0.00 C ATOM 124 CG1 VAL A 10 39.414 0.317 -30.917 1.00 0.00 C ATOM 125 CG2 VAL A 10 40.151 -0.144 -28.569 1.00 0.00 C ATOM 0 H VAL A 10 43.239 -0.663 -29.237 1.00 0.00 H new ATOM 0 HA VAL A 10 41.011 -1.770 -30.804 1.00 0.00 H new ATOM 0 HB VAL A 10 41.128 1.141 -29.963 1.00 0.00 H new ATOM 0 HG11 VAL A 10 38.738 1.082 -30.536 1.00 0.00 H new ATOM 0 HG12 VAL A 10 39.760 0.600 -31.911 1.00 0.00 H new ATOM 0 HG13 VAL A 10 38.888 -0.636 -30.974 1.00 0.00 H new ATOM 0 HG21 VAL A 10 39.463 0.626 -28.220 1.00 0.00 H new ATOM 0 HG22 VAL A 10 39.647 -1.110 -28.564 1.00 0.00 H new ATOM 0 HG23 VAL A 10 41.017 -0.183 -27.908 1.00 0.00 H new ATOM 135 N VAL A 11 42.399 -1.127 -32.768 1.00 0.00 N ATOM 136 CA VAL A 11 43.096 -0.720 -33.981 1.00 0.00 C ATOM 137 C VAL A 11 42.195 0.116 -34.882 1.00 0.00 C ATOM 138 O VAL A 11 41.635 -0.386 -35.858 1.00 0.00 O ATOM 139 CB VAL A 11 43.608 -1.937 -34.772 1.00 0.00 C ATOM 140 CG1 VAL A 11 44.527 -1.490 -35.898 1.00 0.00 C ATOM 141 CG2 VAL A 11 44.318 -2.915 -33.849 1.00 0.00 C ATOM 0 H VAL A 11 41.971 -2.052 -32.818 1.00 0.00 H new ATOM 0 HA VAL A 11 43.948 -0.117 -33.666 1.00 0.00 H new ATOM 0 HB VAL A 11 42.752 -2.449 -35.213 1.00 0.00 H new ATOM 0 HG11 VAL A 11 44.880 -2.363 -36.447 1.00 0.00 H new ATOM 0 HG12 VAL A 11 43.981 -0.832 -36.574 1.00 0.00 H new ATOM 0 HG13 VAL A 11 45.380 -0.954 -35.481 1.00 0.00 H new ATOM 0 HG21 VAL A 11 44.673 -3.769 -34.427 1.00 0.00 H new ATOM 0 HG22 VAL A 11 45.166 -2.419 -33.376 1.00 0.00 H new ATOM 0 HG23 VAL A 11 43.625 -3.259 -33.081 1.00 0.00 H new ATOM 151 N TYR A 12 42.066 1.393 -34.552 1.00 0.00 N ATOM 152 CA TYR A 12 41.242 2.312 -35.327 1.00 0.00 C ATOM 153 C TYR A 12 41.792 2.475 -36.740 1.00 0.00 C ATOM 154 O TYR A 12 42.706 1.759 -37.150 1.00 0.00 O ATOM 155 CB TYR A 12 41.186 3.677 -34.637 1.00 0.00 C ATOM 156 CG TYR A 12 40.442 3.664 -33.326 1.00 0.00 C ATOM 157 CD1 TYR A 12 39.062 3.517 -33.287 1.00 0.00 C ATOM 158 CD2 TYR A 12 41.124 3.794 -32.125 1.00 0.00 C ATOM 159 CE1 TYR A 12 38.381 3.498 -32.086 1.00 0.00 C ATOM 160 CE2 TYR A 12 40.451 3.778 -30.918 1.00 0.00 C ATOM 161 CZ TYR A 12 39.080 3.629 -30.904 1.00 0.00 C ATOM 162 OH TYR A 12 38.406 3.610 -29.705 1.00 0.00 O ATOM 0 H TYR A 12 42.525 1.819 -33.747 1.00 0.00 H new ATOM 0 HA TYR A 12 40.237 1.896 -35.390 1.00 0.00 H new ATOM 0 HB2 TYR A 12 42.203 4.028 -34.464 1.00 0.00 H new ATOM 0 HB3 TYR A 12 40.711 4.394 -35.307 1.00 0.00 H new ATOM 0 HD1 TYR A 12 38.512 3.416 -34.211 1.00 0.00 H new ATOM 0 HD2 TYR A 12 42.198 3.910 -32.133 1.00 0.00 H new ATOM 0 HE1 TYR A 12 37.307 3.381 -32.072 1.00 0.00 H new ATOM 0 HE2 TYR A 12 40.996 3.882 -29.991 1.00 0.00 H new ATOM 0 HH TYR A 12 38.625 4.417 -29.194 1.00 0.00 H new ATOM 172 N SER A 13 41.233 3.428 -37.476 1.00 0.00 N ATOM 173 CA SER A 13 41.667 3.699 -38.841 1.00 0.00 C ATOM 174 C SER A 13 41.581 5.190 -39.140 1.00 0.00 C ATOM 175 O SER A 13 40.655 5.865 -38.695 1.00 0.00 O ATOM 176 CB SER A 13 40.816 2.913 -39.837 1.00 0.00 C ATOM 177 OG SER A 13 41.131 1.531 -39.799 1.00 0.00 O ATOM 0 H SER A 13 40.476 4.028 -37.149 1.00 0.00 H new ATOM 0 HA SER A 13 42.705 3.382 -38.941 1.00 0.00 H new ATOM 0 HB2 SER A 13 39.760 3.055 -39.609 1.00 0.00 H new ATOM 0 HB3 SER A 13 40.979 3.299 -40.843 1.00 0.00 H new ATOM 0 HG SER A 13 40.572 1.050 -40.445 1.00 0.00 H new ATOM 183 N VAL A 14 42.557 5.695 -39.887 1.00 0.00 N ATOM 184 CA VAL A 14 42.603 7.109 -40.242 1.00 0.00 C ATOM 185 C VAL A 14 41.204 7.692 -40.415 1.00 0.00 C ATOM 186 O VAL A 14 40.655 7.700 -41.518 1.00 0.00 O ATOM 187 CB VAL A 14 43.405 7.338 -41.537 1.00 0.00 C ATOM 188 CG1 VAL A 14 42.937 6.392 -42.633 1.00 0.00 C ATOM 189 CG2 VAL A 14 43.289 8.786 -41.987 1.00 0.00 C ATOM 0 H VAL A 14 43.330 5.144 -40.260 1.00 0.00 H new ATOM 0 HA VAL A 14 43.100 7.618 -39.416 1.00 0.00 H new ATOM 0 HB VAL A 14 44.455 7.127 -41.333 1.00 0.00 H new ATOM 0 HG11 VAL A 14 43.516 6.570 -43.539 1.00 0.00 H new ATOM 0 HG12 VAL A 14 43.078 5.361 -42.309 1.00 0.00 H new ATOM 0 HG13 VAL A 14 41.881 6.566 -42.837 1.00 0.00 H new ATOM 0 HG21 VAL A 14 43.862 8.929 -42.903 1.00 0.00 H new ATOM 0 HG22 VAL A 14 42.242 9.027 -42.172 1.00 0.00 H new ATOM 0 HG23 VAL A 14 43.680 9.441 -41.209 1.00 0.00 H new ATOM 199 N GLY A 15 40.636 8.185 -39.320 1.00 0.00 N ATOM 200 CA GLY A 15 39.309 8.770 -39.370 1.00 0.00 C ATOM 201 C GLY A 15 38.264 7.925 -38.668 1.00 0.00 C ATOM 202 O GLY A 15 37.167 7.723 -39.191 1.00 0.00 O ATOM 0 H GLY A 15 41.071 8.190 -38.398 1.00 0.00 H new ATOM 0 HA2 GLY A 15 39.336 9.759 -38.913 1.00 0.00 H new ATOM 0 HA3 GLY A 15 39.017 8.908 -40.411 1.00 0.00 H new ATOM 206 N MET A 16 38.600 7.432 -37.482 1.00 0.00 N ATOM 207 CA MET A 16 37.676 6.607 -36.712 1.00 0.00 C ATOM 208 C MET A 16 37.456 7.185 -35.317 1.00 0.00 C ATOM 209 O MET A 16 37.591 6.480 -34.318 1.00 0.00 O ATOM 210 CB MET A 16 38.207 5.176 -36.604 1.00 0.00 C ATOM 211 CG MET A 16 37.933 4.331 -37.837 1.00 0.00 C ATOM 212 SD MET A 16 36.498 3.257 -37.638 1.00 0.00 S ATOM 213 CE MET A 16 37.151 2.024 -36.516 1.00 0.00 C ATOM 0 H MET A 16 39.503 7.588 -37.033 1.00 0.00 H new ATOM 0 HA MET A 16 36.719 6.596 -37.234 1.00 0.00 H new ATOM 0 HB2 MET A 16 39.282 5.209 -36.428 1.00 0.00 H new ATOM 0 HB3 MET A 16 37.756 4.695 -35.736 1.00 0.00 H new ATOM 0 HG2 MET A 16 37.776 4.986 -38.694 1.00 0.00 H new ATOM 0 HG3 MET A 16 38.810 3.722 -38.058 1.00 0.00 H new ATOM 0 HE1 MET A 16 36.572 1.105 -36.609 1.00 0.00 H new ATOM 0 HE2 MET A 16 38.193 1.823 -36.763 1.00 0.00 H new ATOM 0 HE3 MET A 16 37.085 2.392 -35.492 1.00 0.00 H new ATOM 223 N GLN A 17 37.116 8.471 -35.259 1.00 0.00 N ATOM 224 CA GLN A 17 36.874 9.150 -33.987 1.00 0.00 C ATOM 225 C GLN A 17 36.279 8.191 -32.962 1.00 0.00 C ATOM 226 O GLN A 17 35.352 7.440 -33.266 1.00 0.00 O ATOM 227 CB GLN A 17 35.936 10.341 -34.191 1.00 0.00 C ATOM 228 CG GLN A 17 36.564 11.489 -34.964 1.00 0.00 C ATOM 229 CD GLN A 17 35.616 12.659 -35.143 1.00 0.00 C ATOM 230 OE1 GLN A 17 34.798 12.676 -36.064 1.00 0.00 O ATOM 231 NE2 GLN A 17 35.719 13.645 -34.260 1.00 0.00 N ATOM 0 H GLN A 17 37.002 9.065 -36.080 1.00 0.00 H new ATOM 0 HA GLN A 17 37.831 9.510 -33.609 1.00 0.00 H new ATOM 0 HB2 GLN A 17 35.045 10.003 -34.720 1.00 0.00 H new ATOM 0 HB3 GLN A 17 35.610 10.706 -33.217 1.00 0.00 H new ATOM 0 HG2 GLN A 17 37.459 11.828 -34.441 1.00 0.00 H new ATOM 0 HG3 GLN A 17 36.883 11.131 -35.943 1.00 0.00 H new ATOM 0 HE21 GLN A 17 36.411 13.590 -33.513 1.00 0.00 H new ATOM 0 HE22 GLN A 17 35.106 14.458 -34.329 1.00 0.00 H new ATOM 240 N TRP A 18 36.820 8.216 -31.748 1.00 0.00 N ATOM 241 CA TRP A 18 36.341 7.342 -30.684 1.00 0.00 C ATOM 242 C TRP A 18 36.397 8.037 -29.327 1.00 0.00 C ATOM 243 O TRP A 18 36.715 9.223 -29.235 1.00 0.00 O ATOM 244 CB TRP A 18 37.173 6.060 -30.641 1.00 0.00 C ATOM 245 CG TRP A 18 38.561 6.271 -30.118 1.00 0.00 C ATOM 246 CD1 TRP A 18 38.957 6.253 -28.812 1.00 0.00 C ATOM 247 CD2 TRP A 18 39.739 6.530 -30.892 1.00 0.00 C ATOM 248 NE1 TRP A 18 40.308 6.488 -28.725 1.00 0.00 N ATOM 249 CE2 TRP A 18 40.811 6.661 -29.989 1.00 0.00 C ATOM 250 CE3 TRP A 18 39.992 6.665 -32.260 1.00 0.00 C ATOM 251 CZ2 TRP A 18 42.114 6.920 -30.412 1.00 0.00 C ATOM 252 CZ3 TRP A 18 41.283 6.921 -32.677 1.00 0.00 C ATOM 253 CH2 TRP A 18 42.329 7.045 -31.755 1.00 0.00 C ATOM 0 H TRP A 18 37.588 8.830 -31.477 1.00 0.00 H new ATOM 0 HA TRP A 18 35.301 7.094 -30.899 1.00 0.00 H new ATOM 0 HB2 TRP A 18 36.664 5.326 -30.016 1.00 0.00 H new ATOM 0 HB3 TRP A 18 37.231 5.639 -31.645 1.00 0.00 H new ATOM 0 HD1 TRP A 18 38.304 6.079 -27.970 1.00 0.00 H new ATOM 0 HE1 TRP A 18 40.849 6.527 -27.861 1.00 0.00 H new ATOM 0 HE3 TRP A 18 39.191 6.571 -32.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 42.923 7.018 -29.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 41.489 7.027 -33.732 1.00 0.00 H new ATOM 0 HH2 TRP A 18 43.328 7.244 -32.114 1.00 0.00 H new ATOM 264 N LEU A 19 36.087 7.283 -28.276 1.00 0.00 N ATOM 265 CA LEU A 19 36.102 7.815 -26.918 1.00 0.00 C ATOM 266 C LEU A 19 36.936 6.926 -26.001 1.00 0.00 C ATOM 267 O LEU A 19 36.672 5.731 -25.869 1.00 0.00 O ATOM 268 CB LEU A 19 34.676 7.930 -26.377 1.00 0.00 C ATOM 269 CG LEU A 19 34.511 8.854 -25.167 1.00 0.00 C ATOM 270 CD1 LEU A 19 34.483 10.312 -25.601 1.00 0.00 C ATOM 271 CD2 LEU A 19 33.249 8.502 -24.397 1.00 0.00 C ATOM 0 H LEU A 19 35.822 6.300 -28.340 1.00 0.00 H new ATOM 0 HA LEU A 19 36.552 8.807 -26.945 1.00 0.00 H new ATOM 0 HB2 LEU A 19 34.028 8.287 -27.178 1.00 0.00 H new ATOM 0 HB3 LEU A 19 34.326 6.934 -26.104 1.00 0.00 H new ATOM 0 HG LEU A 19 35.368 8.711 -24.509 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.365 10.950 -24.725 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.416 10.559 -26.107 1.00 0.00 H new ATOM 0 HD13 LEU A 19 33.647 10.473 -26.282 1.00 0.00 H new ATOM 0 HD21 LEU A 19 33.148 9.168 -23.540 1.00 0.00 H new ATOM 0 HD22 LEU A 19 32.382 8.614 -25.048 1.00 0.00 H new ATOM 0 HD23 LEU A 19 33.311 7.471 -24.049 1.00 0.00 H new ATOM 283 N LYS A 20 37.946 7.516 -25.372 1.00 0.00 N ATOM 284 CA LYS A 20 38.823 6.778 -24.469 1.00 0.00 C ATOM 285 C LYS A 20 38.476 7.065 -23.012 1.00 0.00 C ATOM 286 O LYS A 20 38.009 8.154 -22.677 1.00 0.00 O ATOM 287 CB LYS A 20 40.285 7.141 -24.738 1.00 0.00 C ATOM 288 CG LYS A 20 41.174 5.936 -24.998 1.00 0.00 C ATOM 289 CD LYS A 20 41.548 5.231 -23.705 1.00 0.00 C ATOM 290 CE LYS A 20 42.057 6.214 -22.662 1.00 0.00 C ATOM 291 NZ LYS A 20 43.157 5.636 -21.843 1.00 0.00 N ATOM 0 H LYS A 20 38.178 8.504 -25.471 1.00 0.00 H new ATOM 0 HA LYS A 20 38.678 5.713 -24.653 1.00 0.00 H new ATOM 0 HB2 LYS A 20 40.332 7.809 -25.598 1.00 0.00 H new ATOM 0 HB3 LYS A 20 40.677 7.693 -23.884 1.00 0.00 H new ATOM 0 HG2 LYS A 20 40.659 5.238 -25.658 1.00 0.00 H new ATOM 0 HG3 LYS A 20 42.079 6.255 -25.515 1.00 0.00 H new ATOM 0 HD2 LYS A 20 40.680 4.701 -23.314 1.00 0.00 H new ATOM 0 HD3 LYS A 20 42.314 4.482 -23.906 1.00 0.00 H new ATOM 0 HE2 LYS A 20 42.410 7.118 -23.158 1.00 0.00 H new ATOM 0 HE3 LYS A 20 41.235 6.509 -22.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 43.475 6.338 -21.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 42.813 4.787 -21.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 43.952 5.378 -22.462 1.00 0.00 H new ATOM 379 N GLN A 26 36.876 10.268 -18.350 1.00 0.00 N ATOM 380 CA GLN A 26 36.608 10.147 -19.777 1.00 0.00 C ATOM 381 C GLN A 26 37.651 10.898 -20.598 1.00 0.00 C ATOM 382 O GLN A 26 38.460 11.650 -20.056 1.00 0.00 O ATOM 383 CB GLN A 26 35.209 10.676 -20.101 1.00 0.00 C ATOM 384 CG GLN A 26 34.091 9.757 -19.640 1.00 0.00 C ATOM 385 CD GLN A 26 34.147 9.471 -18.153 1.00 0.00 C ATOM 386 OE1 GLN A 26 34.542 8.382 -17.733 1.00 0.00 O ATOM 387 NE2 GLN A 26 33.752 10.449 -17.347 1.00 0.00 N ATOM 0 HA GLN A 26 36.661 9.091 -20.040 1.00 0.00 H new ATOM 0 HB2 GLN A 26 35.081 11.653 -19.634 1.00 0.00 H new ATOM 0 HB3 GLN A 26 35.126 10.824 -21.178 1.00 0.00 H new ATOM 0 HG2 GLN A 26 33.130 10.210 -19.883 1.00 0.00 H new ATOM 0 HG3 GLN A 26 34.148 8.817 -20.189 1.00 0.00 H new ATOM 0 HE21 GLN A 26 33.432 11.335 -17.739 1.00 0.00 H new ATOM 0 HE22 GLN A 26 33.768 10.315 -16.336 1.00 0.00 H new ATOM 396 N MET A 27 37.627 10.683 -21.909 1.00 0.00 N ATOM 397 CA MET A 27 38.570 11.334 -22.812 1.00 0.00 C ATOM 398 C MET A 27 38.314 10.907 -24.254 1.00 0.00 C ATOM 399 O MET A 27 38.491 9.742 -24.603 1.00 0.00 O ATOM 400 CB MET A 27 40.007 10.989 -22.414 1.00 0.00 C ATOM 401 CG MET A 27 40.975 12.151 -22.559 1.00 0.00 C ATOM 402 SD MET A 27 42.472 11.699 -23.456 1.00 0.00 S ATOM 403 CE MET A 27 43.732 12.322 -22.346 1.00 0.00 C ATOM 0 H MET A 27 36.963 10.061 -22.371 1.00 0.00 H new ATOM 0 HA MET A 27 38.429 12.412 -22.737 1.00 0.00 H new ATOM 0 HB2 MET A 27 40.016 10.647 -21.379 1.00 0.00 H new ATOM 0 HB3 MET A 27 40.355 10.158 -23.028 1.00 0.00 H new ATOM 0 HG2 MET A 27 40.478 12.970 -23.079 1.00 0.00 H new ATOM 0 HG3 MET A 27 41.246 12.519 -21.569 1.00 0.00 H new ATOM 0 HE1 MET A 27 44.718 12.118 -22.763 1.00 0.00 H new ATOM 0 HE2 MET A 27 43.607 13.398 -22.221 1.00 0.00 H new ATOM 0 HE3 MET A 27 43.639 11.831 -21.378 1.00 0.00 H new ATOM 413 N LEU A 28 37.905 11.856 -25.090 1.00 0.00 N ATOM 414 CA LEU A 28 37.634 11.569 -26.493 1.00 0.00 C ATOM 415 C LEU A 28 38.922 11.636 -27.301 1.00 0.00 C ATOM 416 O LEU A 28 39.644 12.630 -27.245 1.00 0.00 O ATOM 417 CB LEU A 28 36.613 12.560 -27.052 1.00 0.00 C ATOM 418 CG LEU A 28 36.209 12.321 -28.507 1.00 0.00 C ATOM 419 CD1 LEU A 28 34.700 12.194 -28.628 1.00 0.00 C ATOM 420 CD2 LEU A 28 36.723 13.445 -29.395 1.00 0.00 C ATOM 0 H LEU A 28 37.754 12.828 -24.821 1.00 0.00 H new ATOM 0 HA LEU A 28 37.222 10.563 -26.568 1.00 0.00 H new ATOM 0 HB2 LEU A 28 35.717 12.524 -26.432 1.00 0.00 H new ATOM 0 HB3 LEU A 28 37.021 13.567 -26.965 1.00 0.00 H new ATOM 0 HG LEU A 28 36.660 11.386 -28.840 1.00 0.00 H new ATOM 0 HD11 LEU A 28 34.432 12.024 -29.671 1.00 0.00 H new ATOM 0 HD12 LEU A 28 34.356 11.355 -28.023 1.00 0.00 H new ATOM 0 HD13 LEU A 28 34.228 13.112 -28.277 1.00 0.00 H new ATOM 0 HD21 LEU A 28 36.426 13.258 -30.427 1.00 0.00 H new ATOM 0 HD22 LEU A 28 36.301 14.393 -29.062 1.00 0.00 H new ATOM 0 HD23 LEU A 28 37.810 13.490 -29.333 1.00 0.00 H new ATOM 432 N CYS A 29 39.215 10.575 -28.043 1.00 0.00 N ATOM 433 CA CYS A 29 40.430 10.533 -28.845 1.00 0.00 C ATOM 434 C CYS A 29 40.132 10.221 -30.302 1.00 0.00 C ATOM 435 O CYS A 29 39.237 9.435 -30.615 1.00 0.00 O ATOM 436 CB CYS A 29 41.410 9.512 -28.271 1.00 0.00 C ATOM 437 SG CYS A 29 43.149 9.834 -28.703 1.00 0.00 S ATOM 0 H CYS A 29 38.633 9.739 -28.106 1.00 0.00 H new ATOM 0 HA CYS A 29 40.885 11.523 -28.807 1.00 0.00 H new ATOM 0 HB2 CYS A 29 41.312 9.499 -27.185 1.00 0.00 H new ATOM 0 HB3 CYS A 29 41.135 8.519 -28.627 1.00 0.00 H new ATOM 442 N THR A 30 40.891 10.853 -31.188 1.00 0.00 N ATOM 443 CA THR A 30 40.715 10.657 -32.624 1.00 0.00 C ATOM 444 C THR A 30 42.051 10.573 -33.350 1.00 0.00 C ATOM 445 O THR A 30 43.063 11.095 -32.881 1.00 0.00 O ATOM 446 CB THR A 30 39.891 11.796 -33.252 1.00 0.00 C ATOM 447 OG1 THR A 30 38.587 11.847 -32.659 1.00 0.00 O ATOM 448 CG2 THR A 30 39.762 11.604 -34.757 1.00 0.00 C ATOM 0 H THR A 30 41.634 11.506 -30.939 1.00 0.00 H new ATOM 0 HA THR A 30 40.182 9.713 -32.738 1.00 0.00 H new ATOM 0 HB THR A 30 40.411 12.735 -33.063 1.00 0.00 H new ATOM 0 HG1 THR A 30 38.212 12.746 -32.769 1.00 0.00 H new ATOM 0 HG21 THR A 30 39.176 12.420 -35.179 1.00 0.00 H new ATOM 0 HG22 THR A 30 40.754 11.598 -35.209 1.00 0.00 H new ATOM 0 HG23 THR A 30 39.264 10.656 -34.962 1.00 0.00 H new ATOM 456 N CYS A 31 42.041 9.921 -34.508 1.00 0.00 N ATOM 457 CA CYS A 31 43.243 9.774 -35.316 1.00 0.00 C ATOM 458 C CYS A 31 43.086 10.512 -36.642 1.00 0.00 C ATOM 459 O CYS A 31 42.413 10.032 -37.554 1.00 0.00 O ATOM 460 CB CYS A 31 43.541 8.297 -35.572 1.00 0.00 C ATOM 461 SG CYS A 31 42.170 7.376 -36.333 1.00 0.00 S ATOM 0 H CYS A 31 41.210 9.485 -34.908 1.00 0.00 H new ATOM 0 HA CYS A 31 44.079 10.209 -34.767 1.00 0.00 H new ATOM 0 HB2 CYS A 31 44.416 8.222 -36.218 1.00 0.00 H new ATOM 0 HB3 CYS A 31 43.801 7.822 -34.626 1.00 0.00 H new ATOM 466 N LEU A 32 43.701 11.684 -36.735 1.00 0.00 N ATOM 467 CA LEU A 32 43.622 12.494 -37.944 1.00 0.00 C ATOM 468 C LEU A 32 44.585 11.983 -39.013 1.00 0.00 C ATOM 469 O LEU A 32 44.262 11.058 -39.759 1.00 0.00 O ATOM 470 CB LEU A 32 43.919 13.960 -37.620 1.00 0.00 C ATOM 471 CG LEU A 32 44.928 14.183 -36.492 1.00 0.00 C ATOM 472 CD1 LEU A 32 45.906 15.285 -36.863 1.00 0.00 C ATOM 473 CD2 LEU A 32 44.209 14.516 -35.194 1.00 0.00 C ATOM 0 H LEU A 32 44.260 12.095 -35.988 1.00 0.00 H new ATOM 0 HA LEU A 32 42.608 12.416 -38.337 1.00 0.00 H new ATOM 0 HB2 LEU A 32 44.291 14.447 -38.521 1.00 0.00 H new ATOM 0 HB3 LEU A 32 42.984 14.454 -37.354 1.00 0.00 H new ATOM 0 HG LEU A 32 45.492 13.262 -36.344 1.00 0.00 H new ATOM 0 HD11 LEU A 32 46.616 15.430 -36.049 1.00 0.00 H new ATOM 0 HD12 LEU A 32 46.444 15.004 -37.769 1.00 0.00 H new ATOM 0 HD13 LEU A 32 45.360 16.212 -37.038 1.00 0.00 H new ATOM 0 HD21 LEU A 32 44.941 14.672 -34.402 1.00 0.00 H new ATOM 0 HD22 LEU A 32 43.620 15.423 -35.327 1.00 0.00 H new ATOM 0 HD23 LEU A 32 43.550 13.692 -34.922 1.00 0.00 H new ATOM 485 N GLY A 33 45.769 12.587 -39.089 1.00 0.00 N ATOM 486 CA GLY A 33 46.748 12.171 -40.076 1.00 0.00 C ATOM 487 C GLY A 33 48.153 12.114 -39.511 1.00 0.00 C ATOM 488 O GLY A 33 48.902 11.176 -39.787 1.00 0.00 O ATOM 0 H GLY A 33 46.066 13.354 -38.486 1.00 0.00 H new ATOM 0 HA2 GLY A 33 46.475 11.189 -40.462 1.00 0.00 H new ATOM 0 HA3 GLY A 33 46.726 12.862 -40.918 1.00 0.00 H new ATOM 492 N ASN A 34 48.508 13.114 -38.715 1.00 0.00 N ATOM 493 CA ASN A 34 49.830 13.170 -38.105 1.00 0.00 C ATOM 494 C ASN A 34 49.974 12.083 -37.048 1.00 0.00 C ATOM 495 O ASN A 34 51.048 11.509 -36.871 1.00 0.00 O ATOM 496 CB ASN A 34 50.073 14.548 -37.481 1.00 0.00 C ATOM 497 CG ASN A 34 49.514 14.658 -36.075 1.00 0.00 C ATOM 498 OD1 ASN A 34 48.343 14.365 -35.835 1.00 0.00 O ATOM 499 ND2 ASN A 34 50.351 15.082 -35.136 1.00 0.00 N ATOM 0 H ASN A 34 47.899 13.897 -38.477 1.00 0.00 H new ATOM 0 HA ASN A 34 50.575 13.002 -38.883 1.00 0.00 H new ATOM 0 HB2 ASN A 34 51.144 14.749 -37.459 1.00 0.00 H new ATOM 0 HB3 ASN A 34 49.618 15.313 -38.110 1.00 0.00 H new ATOM 0 HD21 ASN A 34 50.031 15.175 -34.172 1.00 0.00 H new ATOM 0 HD22 ASN A 34 51.314 15.314 -35.378 1.00 0.00 H new ATOM 506 N GLY A 35 48.878 11.805 -36.352 1.00 0.00 N ATOM 507 CA GLY A 35 48.893 10.786 -35.322 1.00 0.00 C ATOM 508 C GLY A 35 47.528 10.577 -34.695 1.00 0.00 C ATOM 509 O GLY A 35 46.606 10.089 -35.348 1.00 0.00 O ATOM 0 H GLY A 35 47.979 12.268 -36.483 1.00 0.00 H new ATOM 0 HA2 GLY A 35 49.241 9.846 -35.750 1.00 0.00 H new ATOM 0 HA3 GLY A 35 49.606 11.067 -34.547 1.00 0.00 H new ATOM 513 N VAL A 36 47.400 10.950 -33.427 1.00 0.00 N ATOM 514 CA VAL A 36 46.140 10.802 -32.711 1.00 0.00 C ATOM 515 C VAL A 36 45.997 11.881 -31.637 1.00 0.00 C ATOM 516 O VAL A 36 46.911 12.106 -30.843 1.00 0.00 O ATOM 517 CB VAL A 36 46.017 9.390 -32.081 1.00 0.00 C ATOM 518 CG1 VAL A 36 45.220 9.413 -30.785 1.00 0.00 C ATOM 519 CG2 VAL A 36 45.383 8.432 -33.071 1.00 0.00 C ATOM 0 H VAL A 36 48.154 11.357 -32.874 1.00 0.00 H new ATOM 0 HA VAL A 36 45.331 10.922 -33.432 1.00 0.00 H new ATOM 0 HB VAL A 36 47.023 9.047 -31.839 1.00 0.00 H new ATOM 0 HG11 VAL A 36 45.158 8.404 -30.378 1.00 0.00 H new ATOM 0 HG12 VAL A 36 45.715 10.065 -30.065 1.00 0.00 H new ATOM 0 HG13 VAL A 36 44.215 9.787 -30.982 1.00 0.00 H new ATOM 0 HG21 VAL A 36 45.301 7.443 -32.619 1.00 0.00 H new ATOM 0 HG22 VAL A 36 44.390 8.791 -33.340 1.00 0.00 H new ATOM 0 HG23 VAL A 36 46.002 8.372 -33.966 1.00 0.00 H new ATOM 529 N SER A 37 44.844 12.541 -31.622 1.00 0.00 N ATOM 530 CA SER A 37 44.576 13.594 -30.650 1.00 0.00 C ATOM 531 C SER A 37 43.284 13.313 -29.888 1.00 0.00 C ATOM 532 O SER A 37 42.314 12.811 -30.457 1.00 0.00 O ATOM 533 CB SER A 37 44.486 14.952 -31.350 1.00 0.00 C ATOM 534 OG SER A 37 44.210 15.987 -30.423 1.00 0.00 O ATOM 0 H SER A 37 44.079 12.365 -32.273 1.00 0.00 H new ATOM 0 HA SER A 37 45.400 13.616 -29.937 1.00 0.00 H new ATOM 0 HB2 SER A 37 45.423 15.162 -31.865 1.00 0.00 H new ATOM 0 HB3 SER A 37 43.705 14.922 -32.109 1.00 0.00 H new ATOM 0 HG SER A 37 44.159 16.844 -30.895 1.00 0.00 H new ATOM 540 N CYS A 38 43.279 13.635 -28.599 1.00 0.00 N ATOM 541 CA CYS A 38 42.107 13.412 -27.759 1.00 0.00 C ATOM 542 C CYS A 38 41.847 14.612 -26.852 1.00 0.00 C ATOM 543 O CYS A 38 42.713 15.471 -26.677 1.00 0.00 O ATOM 544 CB CYS A 38 42.290 12.150 -26.910 1.00 0.00 C ATOM 545 SG CYS A 38 43.777 11.172 -27.309 1.00 0.00 S ATOM 0 H CYS A 38 44.073 14.051 -28.113 1.00 0.00 H new ATOM 0 HA CYS A 38 41.246 13.280 -28.414 1.00 0.00 H new ATOM 0 HB2 CYS A 38 42.332 12.438 -25.860 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.412 11.516 -27.032 1.00 0.00 H new ATOM 550 N GLN A 39 40.650 14.663 -26.277 1.00 0.00 N ATOM 551 CA GLN A 39 40.270 15.754 -25.386 1.00 0.00 C ATOM 552 C GLN A 39 39.990 15.233 -23.979 1.00 0.00 C ATOM 553 O GLN A 39 39.120 14.385 -23.784 1.00 0.00 O ATOM 554 CB GLN A 39 39.037 16.478 -25.930 1.00 0.00 C ATOM 555 CG GLN A 39 38.359 17.379 -24.911 1.00 0.00 C ATOM 556 CD GLN A 39 39.165 18.627 -24.607 1.00 0.00 C ATOM 557 OE1 GLN A 39 39.678 18.793 -23.501 1.00 0.00 O ATOM 558 NE2 GLN A 39 39.280 19.511 -25.591 1.00 0.00 N ATOM 0 H GLN A 39 39.924 13.959 -26.413 1.00 0.00 H new ATOM 0 HA GLN A 39 41.102 16.457 -25.335 1.00 0.00 H new ATOM 0 HB2 GLN A 39 39.329 17.076 -26.793 1.00 0.00 H new ATOM 0 HB3 GLN A 39 38.318 15.738 -26.283 1.00 0.00 H new ATOM 0 HG2 GLN A 39 37.376 17.668 -25.284 1.00 0.00 H new ATOM 0 HG3 GLN A 39 38.198 16.821 -23.988 1.00 0.00 H new ATOM 0 HE21 GLN A 39 38.837 19.331 -26.492 1.00 0.00 H new ATOM 0 HE22 GLN A 39 39.811 20.370 -25.446 1.00 0.00 H new ATOM 636 N GLN A 45 30.339 19.932 -16.808 1.00 0.00 N ATOM 637 CA GLN A 45 29.399 19.925 -15.696 1.00 0.00 C ATOM 638 C GLN A 45 27.961 20.016 -16.197 1.00 0.00 C ATOM 639 O GLN A 45 27.715 20.375 -17.348 1.00 0.00 O ATOM 640 CB GLN A 45 29.694 21.086 -14.744 1.00 0.00 C ATOM 641 CG GLN A 45 30.952 20.886 -13.916 1.00 0.00 C ATOM 642 CD GLN A 45 30.994 19.528 -13.242 1.00 0.00 C ATOM 643 OE1 GLN A 45 31.952 18.770 -13.406 1.00 0.00 O ATOM 644 NE2 GLN A 45 29.954 19.212 -12.480 1.00 0.00 N ATOM 0 HA GLN A 45 29.518 18.984 -15.159 1.00 0.00 H new ATOM 0 HB2 GLN A 45 29.792 22.004 -15.323 1.00 0.00 H new ATOM 0 HB3 GLN A 45 28.845 21.221 -14.074 1.00 0.00 H new ATOM 0 HG2 GLN A 45 31.826 20.997 -14.557 1.00 0.00 H new ATOM 0 HG3 GLN A 45 31.012 21.666 -13.157 1.00 0.00 H new ATOM 0 HE21 GLN A 45 29.182 19.870 -12.372 1.00 0.00 H new ATOM 0 HE22 GLN A 45 29.927 18.311 -12.002 1.00 0.00 H new ATOM 653 N THR A 46 27.015 19.690 -15.323 1.00 0.00 N ATOM 654 CA THR A 46 25.602 19.736 -15.673 1.00 0.00 C ATOM 655 C THR A 46 24.796 20.445 -14.590 1.00 0.00 C ATOM 656 O THR A 46 24.911 20.124 -13.408 1.00 0.00 O ATOM 657 CB THR A 46 25.027 18.324 -15.886 1.00 0.00 C ATOM 658 OG1 THR A 46 25.271 17.515 -14.729 1.00 0.00 O ATOM 659 CG2 THR A 46 25.648 17.667 -17.111 1.00 0.00 C ATOM 0 H THR A 46 27.203 19.391 -14.366 1.00 0.00 H new ATOM 0 HA THR A 46 25.524 20.292 -16.607 1.00 0.00 H new ATOM 0 HB THR A 46 23.952 18.413 -16.046 1.00 0.00 H new ATOM 0 HG1 THR A 46 25.287 18.083 -13.930 1.00 0.00 H new ATOM 0 HG21 THR A 46 25.227 16.670 -17.242 1.00 0.00 H new ATOM 0 HG22 THR A 46 25.436 18.270 -17.994 1.00 0.00 H new ATOM 0 HG23 THR A 46 26.727 17.590 -16.975 1.00 0.00 H new ATOM 667 N TYR A 47 23.986 21.413 -15.004 1.00 0.00 N ATOM 668 CA TYR A 47 23.164 22.173 -14.069 1.00 0.00 C ATOM 669 C TYR A 47 21.752 22.358 -14.612 1.00 0.00 C ATOM 670 O TYR A 47 21.546 22.434 -15.823 1.00 0.00 O ATOM 671 CB TYR A 47 23.800 23.538 -13.798 1.00 0.00 C ATOM 672 CG TYR A 47 24.076 24.332 -15.054 1.00 0.00 C ATOM 673 CD1 TYR A 47 23.042 24.935 -15.759 1.00 0.00 C ATOM 674 CD2 TYR A 47 25.371 24.476 -15.537 1.00 0.00 C ATOM 675 CE1 TYR A 47 23.290 25.660 -16.909 1.00 0.00 C ATOM 676 CE2 TYR A 47 25.626 25.198 -16.686 1.00 0.00 C ATOM 677 CZ TYR A 47 24.583 25.788 -17.368 1.00 0.00 C ATOM 678 OH TYR A 47 24.835 26.509 -18.514 1.00 0.00 O ATOM 0 H TYR A 47 23.881 21.690 -15.980 1.00 0.00 H new ATOM 0 HA TYR A 47 23.104 21.613 -13.136 1.00 0.00 H new ATOM 0 HB2 TYR A 47 23.141 24.115 -13.150 1.00 0.00 H new ATOM 0 HB3 TYR A 47 24.734 23.394 -13.256 1.00 0.00 H new ATOM 0 HD1 TYR A 47 22.027 24.836 -15.402 1.00 0.00 H new ATOM 0 HD2 TYR A 47 26.191 24.016 -15.005 1.00 0.00 H new ATOM 0 HE1 TYR A 47 22.475 26.124 -17.445 1.00 0.00 H new ATOM 0 HE2 TYR A 47 26.638 25.300 -17.049 1.00 0.00 H new ATOM 0 HH TYR A 47 25.793 26.707 -18.572 1.00 0.00 H new ATOM 688 N GLY A 48 20.781 22.433 -13.707 1.00 0.00 N ATOM 689 CA GLY A 48 19.399 22.611 -14.112 1.00 0.00 C ATOM 690 C GLY A 48 18.971 21.619 -15.176 1.00 0.00 C ATOM 691 O GLY A 48 19.349 20.449 -15.132 1.00 0.00 O ATOM 0 H GLY A 48 20.927 22.374 -12.699 1.00 0.00 H new ATOM 0 HA2 GLY A 48 18.752 22.505 -13.241 1.00 0.00 H new ATOM 0 HA3 GLY A 48 19.262 23.624 -14.489 1.00 0.00 H new ATOM 695 N GLY A 49 18.178 22.090 -16.132 1.00 0.00 N ATOM 696 CA GLY A 49 17.708 21.227 -17.199 1.00 0.00 C ATOM 697 C GLY A 49 16.514 20.390 -16.782 1.00 0.00 C ATOM 698 O GLY A 49 15.492 20.926 -16.355 1.00 0.00 O ATOM 0 H GLY A 49 17.852 23.055 -16.187 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.438 21.835 -18.062 1.00 0.00 H new ATOM 0 HA3 GLY A 49 18.518 20.569 -17.513 1.00 0.00 H new ATOM 702 N ASN A 50 16.646 19.074 -16.903 1.00 0.00 N ATOM 703 CA ASN A 50 15.570 18.161 -16.533 1.00 0.00 C ATOM 704 C ASN A 50 15.971 17.307 -15.336 1.00 0.00 C ATOM 705 O ASN A 50 15.122 16.882 -14.552 1.00 0.00 O ATOM 706 CB ASN A 50 15.203 17.265 -17.715 1.00 0.00 C ATOM 707 CG ASN A 50 13.762 16.793 -17.656 1.00 0.00 C ATOM 708 OD1 ASN A 50 13.122 16.848 -16.607 1.00 0.00 O ATOM 709 ND2 ASN A 50 13.245 16.326 -18.787 1.00 0.00 N ATOM 0 H ASN A 50 17.487 18.615 -17.254 1.00 0.00 H new ATOM 0 HA ASN A 50 14.700 18.757 -16.256 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.367 17.809 -18.645 1.00 0.00 H new ATOM 0 HB3 ASN A 50 15.866 16.400 -17.731 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.281 15.995 -18.808 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.812 16.299 -19.634 1.00 0.00 H new ATOM 716 N SER A 51 17.269 17.061 -15.201 1.00 0.00 N ATOM 717 CA SER A 51 17.784 16.259 -14.097 1.00 0.00 C ATOM 718 C SER A 51 18.365 17.147 -13.000 1.00 0.00 C ATOM 719 O SER A 51 18.805 16.658 -11.960 1.00 0.00 O ATOM 720 CB SER A 51 18.853 15.289 -14.601 1.00 0.00 C ATOM 721 OG SER A 51 18.683 14.002 -14.035 1.00 0.00 O ATOM 0 H SER A 51 17.984 17.405 -15.842 1.00 0.00 H new ATOM 0 HA SER A 51 16.954 15.691 -13.677 1.00 0.00 H new ATOM 0 HB2 SER A 51 18.803 15.221 -15.688 1.00 0.00 H new ATOM 0 HB3 SER A 51 19.842 15.672 -14.351 1.00 0.00 H new ATOM 0 HG SER A 51 19.005 13.323 -14.664 1.00 0.00 H new ATOM 727 N ASN A 52 18.362 18.457 -13.240 1.00 0.00 N ATOM 728 CA ASN A 52 18.885 19.415 -12.275 1.00 0.00 C ATOM 729 C ASN A 52 20.397 19.275 -12.123 1.00 0.00 C ATOM 730 O ASN A 52 21.004 19.918 -11.265 1.00 0.00 O ATOM 731 CB ASN A 52 18.204 19.224 -10.919 1.00 0.00 C ATOM 732 CG ASN A 52 18.801 20.110 -9.844 1.00 0.00 C ATOM 733 OD1 ASN A 52 19.091 19.654 -8.738 1.00 0.00 O ATOM 734 ND2 ASN A 52 18.985 21.385 -10.165 1.00 0.00 N ATOM 0 H ASN A 52 18.002 18.877 -14.097 1.00 0.00 H new ATOM 0 HA ASN A 52 18.671 20.417 -12.646 1.00 0.00 H new ATOM 0 HB2 ASN A 52 17.140 19.441 -11.016 1.00 0.00 H new ATOM 0 HB3 ASN A 52 18.290 18.181 -10.616 1.00 0.00 H new ATOM 0 HD21 ASN A 52 19.382 22.031 -9.482 1.00 0.00 H new ATOM 0 HD22 ASN A 52 18.730 21.719 -11.094 1.00 0.00 H new ATOM 741 N GLY A 53 21.002 18.439 -12.961 1.00 0.00 N ATOM 742 CA GLY A 53 22.439 18.239 -12.898 1.00 0.00 C ATOM 743 C GLY A 53 22.820 16.792 -12.653 1.00 0.00 C ATOM 744 O GLY A 53 23.335 16.452 -11.588 1.00 0.00 O ATOM 0 H GLY A 53 20.524 17.897 -13.681 1.00 0.00 H new ATOM 0 HA2 GLY A 53 22.889 18.576 -13.832 1.00 0.00 H new ATOM 0 HA3 GLY A 53 22.853 18.859 -12.103 1.00 0.00 H new ATOM 748 N GLU A 54 22.570 15.940 -13.642 1.00 0.00 N ATOM 749 CA GLU A 54 22.892 14.522 -13.529 1.00 0.00 C ATOM 750 C GLU A 54 23.978 14.130 -14.526 1.00 0.00 C ATOM 751 O GLU A 54 24.282 14.880 -15.454 1.00 0.00 O ATOM 752 CB GLU A 54 21.644 13.676 -13.757 1.00 0.00 C ATOM 753 CG GLU A 54 20.889 13.374 -12.476 1.00 0.00 C ATOM 754 CD GLU A 54 21.637 12.416 -11.570 1.00 0.00 C ATOM 755 OE1 GLU A 54 22.733 12.781 -11.094 1.00 0.00 O ATOM 756 OE2 GLU A 54 21.127 11.301 -11.335 1.00 0.00 O ATOM 0 H GLU A 54 22.146 16.207 -14.530 1.00 0.00 H new ATOM 0 HA GLU A 54 23.266 14.338 -12.522 1.00 0.00 H new ATOM 0 HB2 GLU A 54 20.981 14.196 -14.449 1.00 0.00 H new ATOM 0 HB3 GLU A 54 21.930 12.738 -14.233 1.00 0.00 H new ATOM 0 HG2 GLU A 54 20.703 14.305 -11.940 1.00 0.00 H new ATOM 0 HG3 GLU A 54 19.916 12.949 -12.724 1.00 0.00 H new ATOM 763 N PRO A 55 24.577 12.943 -14.348 1.00 0.00 N ATOM 764 CA PRO A 55 25.633 12.448 -15.236 1.00 0.00 C ATOM 765 C PRO A 55 25.105 12.121 -16.629 1.00 0.00 C ATOM 766 O PRO A 55 24.184 11.319 -16.781 1.00 0.00 O ATOM 767 CB PRO A 55 26.123 11.177 -14.537 1.00 0.00 C ATOM 768 CG PRO A 55 24.971 10.734 -13.704 1.00 0.00 C ATOM 769 CD PRO A 55 24.269 11.989 -13.268 1.00 0.00 C ATOM 0 HA PRO A 55 26.416 13.190 -15.392 1.00 0.00 H new ATOM 0 HB2 PRO A 55 26.406 10.412 -15.260 1.00 0.00 H new ATOM 0 HB3 PRO A 55 27.002 11.376 -13.923 1.00 0.00 H new ATOM 0 HG2 PRO A 55 24.301 10.090 -14.275 1.00 0.00 H new ATOM 0 HG3 PRO A 55 25.310 10.158 -12.843 1.00 0.00 H new ATOM 0 HD2 PRO A 55 23.195 11.833 -13.163 1.00 0.00 H new ATOM 0 HD3 PRO A 55 24.636 12.341 -12.304 1.00 0.00 H new ATOM 777 N CYS A 56 25.692 12.750 -17.642 1.00 0.00 N ATOM 778 CA CYS A 56 25.278 12.527 -19.022 1.00 0.00 C ATOM 779 C CYS A 56 25.459 11.067 -19.420 1.00 0.00 C ATOM 780 O CYS A 56 25.725 10.211 -18.575 1.00 0.00 O ATOM 781 CB CYS A 56 26.066 13.435 -19.966 1.00 0.00 C ATOM 782 SG CYS A 56 26.120 15.180 -19.447 1.00 0.00 S ATOM 0 H CYS A 56 26.455 13.418 -17.533 1.00 0.00 H new ATOM 0 HA CYS A 56 24.218 12.770 -19.100 1.00 0.00 H new ATOM 0 HB2 CYS A 56 27.086 13.059 -20.047 1.00 0.00 H new ATOM 0 HB3 CYS A 56 25.625 13.377 -20.961 1.00 0.00 H new ATOM 787 N VAL A 57 25.307 10.788 -20.710 1.00 0.00 N ATOM 788 CA VAL A 57 25.446 9.428 -21.218 1.00 0.00 C ATOM 789 C VAL A 57 25.896 9.426 -22.677 1.00 0.00 C ATOM 790 O VAL A 57 25.237 8.843 -23.538 1.00 0.00 O ATOM 791 CB VAL A 57 24.121 8.651 -21.099 1.00 0.00 C ATOM 792 CG1 VAL A 57 23.053 9.266 -21.990 1.00 0.00 C ATOM 793 CG2 VAL A 57 24.331 7.183 -21.440 1.00 0.00 C ATOM 0 H VAL A 57 25.088 11.484 -21.422 1.00 0.00 H new ATOM 0 HA VAL A 57 26.205 8.937 -20.609 1.00 0.00 H new ATOM 0 HB VAL A 57 23.777 8.716 -20.067 1.00 0.00 H new ATOM 0 HG11 VAL A 57 22.126 8.701 -21.890 1.00 0.00 H new ATOM 0 HG12 VAL A 57 22.882 10.300 -21.692 1.00 0.00 H new ATOM 0 HG13 VAL A 57 23.385 9.238 -23.028 1.00 0.00 H new ATOM 0 HG21 VAL A 57 23.385 6.650 -21.351 1.00 0.00 H new ATOM 0 HG22 VAL A 57 24.701 7.096 -22.461 1.00 0.00 H new ATOM 0 HG23 VAL A 57 25.058 6.750 -20.753 1.00 0.00 H new ATOM 803 N LEU A 58 27.023 10.076 -22.945 1.00 0.00 N ATOM 804 CA LEU A 58 27.561 10.143 -24.302 1.00 0.00 C ATOM 805 C LEU A 58 28.742 9.190 -24.471 1.00 0.00 C ATOM 806 O LEU A 58 29.286 8.681 -23.491 1.00 0.00 O ATOM 807 CB LEU A 58 27.996 11.571 -24.651 1.00 0.00 C ATOM 808 CG LEU A 58 28.301 12.479 -23.458 1.00 0.00 C ATOM 809 CD1 LEU A 58 27.037 12.758 -22.664 1.00 0.00 C ATOM 810 CD2 LEU A 58 29.370 11.856 -22.570 1.00 0.00 C ATOM 0 H LEU A 58 27.582 10.563 -22.244 1.00 0.00 H new ATOM 0 HA LEU A 58 26.766 9.841 -24.983 1.00 0.00 H new ATOM 0 HB2 LEU A 58 28.884 11.518 -25.281 1.00 0.00 H new ATOM 0 HB3 LEU A 58 27.210 12.036 -25.247 1.00 0.00 H new ATOM 0 HG LEU A 58 28.683 13.427 -23.836 1.00 0.00 H new ATOM 0 HD11 LEU A 58 27.273 13.405 -21.819 1.00 0.00 H new ATOM 0 HD12 LEU A 58 26.306 13.250 -23.305 1.00 0.00 H new ATOM 0 HD13 LEU A 58 26.623 11.819 -22.297 1.00 0.00 H new ATOM 0 HD21 LEU A 58 29.573 12.517 -21.727 1.00 0.00 H new ATOM 0 HD22 LEU A 58 29.019 10.893 -22.200 1.00 0.00 H new ATOM 0 HD23 LEU A 58 30.284 11.712 -23.147 1.00 0.00 H new ATOM 822 N PRO A 59 29.151 8.937 -25.725 1.00 0.00 N ATOM 823 CA PRO A 59 28.516 9.534 -26.905 1.00 0.00 C ATOM 824 C PRO A 59 27.106 9.004 -27.137 1.00 0.00 C ATOM 825 O PRO A 59 26.884 7.793 -27.162 1.00 0.00 O ATOM 826 CB PRO A 59 29.437 9.117 -28.055 1.00 0.00 C ATOM 827 CG PRO A 59 30.109 7.879 -27.573 1.00 0.00 C ATOM 828 CD PRO A 59 30.270 8.049 -26.088 1.00 0.00 C ATOM 0 HA PRO A 59 28.401 10.613 -26.801 1.00 0.00 H new ATOM 0 HB2 PRO A 59 28.871 8.930 -28.968 1.00 0.00 H new ATOM 0 HB3 PRO A 59 30.162 9.898 -28.284 1.00 0.00 H new ATOM 0 HG2 PRO A 59 29.512 6.996 -27.803 1.00 0.00 H new ATOM 0 HG3 PRO A 59 31.076 7.745 -28.058 1.00 0.00 H new ATOM 0 HD2 PRO A 59 30.212 7.094 -25.565 1.00 0.00 H new ATOM 0 HD3 PRO A 59 31.233 8.492 -25.836 1.00 0.00 H new ATOM 836 N PHE A 60 26.156 9.917 -27.312 1.00 0.00 N ATOM 837 CA PHE A 60 24.769 9.539 -27.545 1.00 0.00 C ATOM 838 C PHE A 60 24.363 9.836 -28.984 1.00 0.00 C ATOM 839 O PHE A 60 25.169 10.315 -29.782 1.00 0.00 O ATOM 840 CB PHE A 60 23.847 10.287 -26.582 1.00 0.00 C ATOM 841 CG PHE A 60 24.107 11.766 -26.534 1.00 0.00 C ATOM 842 CD1 PHE A 60 24.002 12.537 -27.681 1.00 0.00 C ATOM 843 CD2 PHE A 60 24.455 12.384 -25.344 1.00 0.00 C ATOM 844 CE1 PHE A 60 24.240 13.897 -27.639 1.00 0.00 C ATOM 845 CE2 PHE A 60 24.695 13.744 -25.299 1.00 0.00 C ATOM 846 CZ PHE A 60 24.587 14.501 -26.448 1.00 0.00 C ATOM 0 H PHE A 60 26.322 10.923 -27.297 1.00 0.00 H new ATOM 0 HA PHE A 60 24.675 8.467 -27.370 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.811 10.117 -26.877 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.966 9.872 -25.581 1.00 0.00 H new ATOM 0 HD1 PHE A 60 23.732 12.070 -28.616 1.00 0.00 H new ATOM 0 HD2 PHE A 60 24.540 11.796 -24.442 1.00 0.00 H new ATOM 0 HE1 PHE A 60 24.154 14.488 -28.539 1.00 0.00 H new ATOM 0 HE2 PHE A 60 24.967 14.214 -24.366 1.00 0.00 H new ATOM 0 HZ PHE A 60 24.774 15.564 -26.415 1.00 0.00 H new ATOM 856 N THR A 61 23.106 9.554 -29.309 1.00 0.00 N ATOM 857 CA THR A 61 22.591 9.797 -30.649 1.00 0.00 C ATOM 858 C THR A 61 21.402 10.745 -30.603 1.00 0.00 C ATOM 859 O THR A 61 20.403 10.473 -29.936 1.00 0.00 O ATOM 860 CB THR A 61 22.164 8.488 -31.338 1.00 0.00 C ATOM 861 OG1 THR A 61 22.817 7.372 -30.721 1.00 0.00 O ATOM 862 CG2 THR A 61 22.502 8.523 -32.821 1.00 0.00 C ATOM 0 H THR A 61 22.425 9.157 -28.661 1.00 0.00 H new ATOM 0 HA THR A 61 23.399 10.248 -31.225 1.00 0.00 H new ATOM 0 HB THR A 61 21.085 8.382 -31.229 1.00 0.00 H new ATOM 0 HG1 THR A 61 22.538 6.544 -31.164 1.00 0.00 H new ATOM 0 HG21 THR A 61 22.191 7.588 -33.287 1.00 0.00 H new ATOM 0 HG22 THR A 61 21.980 9.355 -33.294 1.00 0.00 H new ATOM 0 HG23 THR A 61 23.577 8.651 -32.946 1.00 0.00 H new ATOM 870 N TYR A 62 21.517 11.864 -31.308 1.00 0.00 N ATOM 871 CA TYR A 62 20.450 12.853 -31.337 1.00 0.00 C ATOM 872 C TYR A 62 20.358 13.526 -32.701 1.00 0.00 C ATOM 873 O TYR A 62 21.373 13.899 -33.291 1.00 0.00 O ATOM 874 CB TYR A 62 20.676 13.908 -30.257 1.00 0.00 C ATOM 875 CG TYR A 62 19.670 15.034 -30.304 1.00 0.00 C ATOM 876 CD1 TYR A 62 18.419 14.898 -29.716 1.00 0.00 C ATOM 877 CD2 TYR A 62 19.970 16.230 -30.942 1.00 0.00 C ATOM 878 CE1 TYR A 62 17.496 15.925 -29.761 1.00 0.00 C ATOM 879 CE2 TYR A 62 19.052 17.261 -30.992 1.00 0.00 C ATOM 880 CZ TYR A 62 17.817 17.103 -30.400 1.00 0.00 C ATOM 881 OH TYR A 62 16.899 18.127 -30.449 1.00 0.00 O ATOM 0 H TYR A 62 22.336 12.107 -31.865 1.00 0.00 H new ATOM 0 HA TYR A 62 19.511 12.335 -31.145 1.00 0.00 H new ATOM 0 HB2 TYR A 62 20.632 13.431 -29.278 1.00 0.00 H new ATOM 0 HB3 TYR A 62 21.679 14.321 -30.366 1.00 0.00 H new ATOM 0 HD1 TYR A 62 18.164 13.975 -29.216 1.00 0.00 H new ATOM 0 HD2 TYR A 62 20.937 16.356 -31.407 1.00 0.00 H new ATOM 0 HE1 TYR A 62 16.528 15.805 -29.298 1.00 0.00 H new ATOM 0 HE2 TYR A 62 19.300 18.186 -31.492 1.00 0.00 H new ATOM 0 HH TYR A 62 16.327 18.092 -29.654 1.00 0.00 H new ATOM 891 N ASN A 63 19.136 13.685 -33.193 1.00 0.00 N ATOM 892 CA ASN A 63 18.909 14.321 -34.486 1.00 0.00 C ATOM 893 C ASN A 63 19.362 13.419 -35.631 1.00 0.00 C ATOM 894 O ASN A 63 19.298 13.805 -36.798 1.00 0.00 O ATOM 895 CB ASN A 63 19.646 15.659 -34.554 1.00 0.00 C ATOM 896 CG ASN A 63 19.097 16.568 -35.636 1.00 0.00 C ATOM 897 OD1 ASN A 63 19.252 16.297 -36.827 1.00 0.00 O ATOM 898 ND2 ASN A 63 18.452 17.654 -35.227 1.00 0.00 N ATOM 0 H ASN A 63 18.286 13.383 -32.717 1.00 0.00 H new ATOM 0 HA ASN A 63 17.838 14.495 -34.591 1.00 0.00 H new ATOM 0 HB2 ASN A 63 19.571 16.161 -33.589 1.00 0.00 H new ATOM 0 HB3 ASN A 63 20.705 15.478 -34.738 1.00 0.00 H new ATOM 0 HD21 ASN A 63 18.062 18.303 -35.910 1.00 0.00 H new ATOM 0 HD22 ASN A 63 18.347 17.839 -34.230 1.00 0.00 H new ATOM 905 N GLY A 64 19.819 12.216 -35.293 1.00 0.00 N ATOM 906 CA GLY A 64 20.270 11.286 -36.311 1.00 0.00 C ATOM 907 C GLY A 64 21.772 11.087 -36.301 1.00 0.00 C ATOM 908 O GLY A 64 22.286 10.181 -36.957 1.00 0.00 O ATOM 0 H GLY A 64 19.885 11.871 -34.336 1.00 0.00 H new ATOM 0 HA2 GLY A 64 19.780 10.324 -36.161 1.00 0.00 H new ATOM 0 HA3 GLY A 64 19.963 11.651 -37.291 1.00 0.00 H new ATOM 912 N ARG A 65 22.481 11.930 -35.556 1.00 0.00 N ATOM 913 CA ARG A 65 23.933 11.831 -35.472 1.00 0.00 C ATOM 914 C ARG A 65 24.368 11.382 -34.084 1.00 0.00 C ATOM 915 O ARG A 65 23.588 10.795 -33.335 1.00 0.00 O ATOM 916 CB ARG A 65 24.584 13.171 -35.809 1.00 0.00 C ATOM 917 CG ARG A 65 24.499 14.188 -34.686 1.00 0.00 C ATOM 918 CD ARG A 65 25.112 15.516 -35.095 1.00 0.00 C ATOM 919 NE ARG A 65 24.142 16.605 -35.045 1.00 0.00 N ATOM 920 CZ ARG A 65 24.471 17.890 -35.135 1.00 0.00 C ATOM 921 NH1 ARG A 65 25.742 18.244 -35.278 1.00 0.00 N ATOM 922 NH2 ARG A 65 23.531 18.823 -35.083 1.00 0.00 N ATOM 0 H ARG A 65 22.075 12.686 -35.004 1.00 0.00 H new ATOM 0 HA ARG A 65 24.258 11.086 -36.198 1.00 0.00 H new ATOM 0 HB2 ARG A 65 25.632 13.004 -36.058 1.00 0.00 H new ATOM 0 HB3 ARG A 65 24.107 13.584 -36.698 1.00 0.00 H new ATOM 0 HG2 ARG A 65 23.456 14.337 -34.406 1.00 0.00 H new ATOM 0 HG3 ARG A 65 25.013 13.804 -33.805 1.00 0.00 H new ATOM 0 HD2 ARG A 65 25.950 15.746 -34.437 1.00 0.00 H new ATOM 0 HD3 ARG A 65 25.513 15.434 -36.105 1.00 0.00 H new ATOM 0 HE ARG A 65 23.156 16.367 -34.935 1.00 0.00 H new ATOM 0 HH11 ARG A 65 26.469 17.530 -35.319 1.00 0.00 H new ATOM 0 HH12 ARG A 65 25.992 19.230 -35.347 1.00 0.00 H new ATOM 0 HH21 ARG A 65 22.553 18.556 -34.974 1.00 0.00 H new ATOM 0 HH22 ARG A 65 23.786 19.808 -35.152 1.00 0.00 H new ATOM 936 N THR A 66 25.620 11.662 -33.747 1.00 0.00 N ATOM 937 CA THR A 66 26.159 11.283 -32.449 1.00 0.00 C ATOM 938 C THR A 66 27.066 12.370 -31.887 1.00 0.00 C ATOM 939 O THR A 66 27.780 13.046 -32.630 1.00 0.00 O ATOM 940 CB THR A 66 26.949 9.964 -32.537 1.00 0.00 C ATOM 941 OG1 THR A 66 26.146 8.952 -33.155 1.00 0.00 O ATOM 942 CG2 THR A 66 27.384 9.503 -31.154 1.00 0.00 C ATOM 0 H THR A 66 26.280 12.149 -34.353 1.00 0.00 H new ATOM 0 HA THR A 66 25.308 11.148 -31.781 1.00 0.00 H new ATOM 0 HB THR A 66 27.839 10.137 -33.141 1.00 0.00 H new ATOM 0 HG1 THR A 66 26.656 8.117 -33.209 1.00 0.00 H new ATOM 0 HG21 THR A 66 27.940 8.570 -31.240 1.00 0.00 H new ATOM 0 HG22 THR A 66 28.019 10.264 -30.700 1.00 0.00 H new ATOM 0 HG23 THR A 66 26.505 9.345 -30.530 1.00 0.00 H new ATOM 950 N PHE A 67 27.035 12.532 -30.570 1.00 0.00 N ATOM 951 CA PHE A 67 27.853 13.536 -29.902 1.00 0.00 C ATOM 952 C PHE A 67 28.511 12.948 -28.656 1.00 0.00 C ATOM 953 O PHE A 67 27.840 12.362 -27.807 1.00 0.00 O ATOM 954 CB PHE A 67 26.999 14.747 -29.525 1.00 0.00 C ATOM 955 CG PHE A 67 25.928 15.070 -30.533 1.00 0.00 C ATOM 956 CD1 PHE A 67 24.862 14.208 -30.737 1.00 0.00 C ATOM 957 CD2 PHE A 67 25.986 16.242 -31.269 1.00 0.00 C ATOM 958 CE1 PHE A 67 23.874 14.510 -31.655 1.00 0.00 C ATOM 959 CE2 PHE A 67 24.999 16.549 -32.189 1.00 0.00 C ATOM 960 CZ PHE A 67 23.943 15.682 -32.380 1.00 0.00 C ATOM 0 H PHE A 67 26.451 11.980 -29.942 1.00 0.00 H new ATOM 0 HA PHE A 67 28.636 13.857 -30.589 1.00 0.00 H new ATOM 0 HB2 PHE A 67 26.532 14.564 -28.558 1.00 0.00 H new ATOM 0 HB3 PHE A 67 27.648 15.615 -29.406 1.00 0.00 H new ATOM 0 HD1 PHE A 67 24.803 13.290 -30.172 1.00 0.00 H new ATOM 0 HD2 PHE A 67 26.811 16.924 -31.123 1.00 0.00 H new ATOM 0 HE1 PHE A 67 23.049 13.829 -31.805 1.00 0.00 H new ATOM 0 HE2 PHE A 67 25.055 17.466 -32.757 1.00 0.00 H new ATOM 0 HZ PHE A 67 23.171 15.920 -33.096 1.00 0.00 H new ATOM 970 N TYR A 68 29.828 13.098 -28.557 1.00 0.00 N ATOM 971 CA TYR A 68 30.577 12.570 -27.423 1.00 0.00 C ATOM 972 C TYR A 68 30.607 13.560 -26.261 1.00 0.00 C ATOM 973 O TYR A 68 31.260 13.314 -25.246 1.00 0.00 O ATOM 974 CB TYR A 68 32.005 12.229 -27.851 1.00 0.00 C ATOM 975 CG TYR A 68 32.091 11.071 -28.821 1.00 0.00 C ATOM 976 CD1 TYR A 68 31.319 11.044 -29.977 1.00 0.00 C ATOM 977 CD2 TYR A 68 32.943 10.003 -28.578 1.00 0.00 C ATOM 978 CE1 TYR A 68 31.398 9.985 -30.862 1.00 0.00 C ATOM 979 CE2 TYR A 68 33.027 8.941 -29.455 1.00 0.00 C ATOM 980 CZ TYR A 68 32.254 8.937 -30.596 1.00 0.00 C ATOM 981 OH TYR A 68 32.334 7.878 -31.474 1.00 0.00 O ATOM 0 H TYR A 68 30.399 13.582 -29.250 1.00 0.00 H new ATOM 0 HA TYR A 68 30.072 11.666 -27.083 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.457 13.109 -28.309 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.594 11.993 -26.964 1.00 0.00 H new ATOM 0 HD1 TYR A 68 30.647 11.863 -30.187 1.00 0.00 H new ATOM 0 HD2 TYR A 68 33.552 10.003 -27.686 1.00 0.00 H new ATOM 0 HE1 TYR A 68 30.793 9.978 -31.757 1.00 0.00 H new ATOM 0 HE2 TYR A 68 33.695 8.118 -29.248 1.00 0.00 H new ATOM 0 HH TYR A 68 32.984 7.225 -31.140 1.00 0.00 H new ATOM 991 N SER A 69 29.899 14.676 -26.408 1.00 0.00 N ATOM 992 CA SER A 69 29.857 15.692 -25.359 1.00 0.00 C ATOM 993 C SER A 69 28.629 16.586 -25.501 1.00 0.00 C ATOM 994 O SER A 69 27.935 16.550 -26.518 1.00 0.00 O ATOM 995 CB SER A 69 31.126 16.546 -25.394 1.00 0.00 C ATOM 996 OG SER A 69 32.286 15.744 -25.241 1.00 0.00 O ATOM 0 H SER A 69 29.349 14.900 -27.238 1.00 0.00 H new ATOM 0 HA SER A 69 29.796 15.176 -24.401 1.00 0.00 H new ATOM 0 HB2 SER A 69 31.177 17.088 -26.338 1.00 0.00 H new ATOM 0 HB3 SER A 69 31.088 17.292 -24.600 1.00 0.00 H new ATOM 0 HG SER A 69 32.037 14.880 -24.851 1.00 0.00 H new ATOM 1002 N CYS A 70 28.367 17.389 -24.472 1.00 0.00 N ATOM 1003 CA CYS A 70 27.229 18.295 -24.476 1.00 0.00 C ATOM 1004 C CYS A 70 27.179 19.100 -25.769 1.00 0.00 C ATOM 1005 O CYS A 70 28.066 18.988 -26.614 1.00 0.00 O ATOM 1006 CB CYS A 70 27.307 19.242 -23.279 1.00 0.00 C ATOM 1007 SG CYS A 70 27.651 18.415 -21.692 1.00 0.00 S ATOM 0 H CYS A 70 28.932 17.428 -23.624 1.00 0.00 H new ATOM 0 HA CYS A 70 26.319 17.699 -24.405 1.00 0.00 H new ATOM 0 HB2 CYS A 70 28.085 19.982 -23.466 1.00 0.00 H new ATOM 0 HB3 CYS A 70 26.365 19.784 -23.197 1.00 0.00 H new ATOM 1012 N THR A 71 26.137 19.910 -25.917 1.00 0.00 N ATOM 1013 CA THR A 71 25.978 20.731 -27.112 1.00 0.00 C ATOM 1014 C THR A 71 24.658 21.495 -27.092 1.00 0.00 C ATOM 1015 O THR A 71 23.949 21.511 -26.086 1.00 0.00 O ATOM 1016 CB THR A 71 26.034 19.873 -28.387 1.00 0.00 C ATOM 1017 OG1 THR A 71 25.838 20.696 -29.543 1.00 0.00 O ATOM 1018 CG2 THR A 71 24.972 18.787 -28.348 1.00 0.00 C ATOM 0 H THR A 71 25.393 20.016 -25.228 1.00 0.00 H new ATOM 0 HA THR A 71 26.804 21.442 -27.116 1.00 0.00 H new ATOM 0 HB THR A 71 27.016 19.403 -28.441 1.00 0.00 H new ATOM 0 HG1 THR A 71 25.877 20.141 -30.350 1.00 0.00 H new ATOM 0 HG21 THR A 71 25.028 18.191 -29.259 1.00 0.00 H new ATOM 0 HG22 THR A 71 25.140 18.145 -27.483 1.00 0.00 H new ATOM 0 HG23 THR A 71 23.986 19.245 -28.274 1.00 0.00 H new ATOM 1026 N THR A 72 24.332 22.119 -28.217 1.00 0.00 N ATOM 1027 CA THR A 72 23.097 22.882 -28.346 1.00 0.00 C ATOM 1028 C THR A 72 22.523 22.718 -29.748 1.00 0.00 C ATOM 1029 O THR A 72 22.255 23.697 -30.443 1.00 0.00 O ATOM 1030 CB THR A 72 23.328 24.379 -28.069 1.00 0.00 C ATOM 1031 OG1 THR A 72 24.575 24.796 -28.640 1.00 0.00 O ATOM 1032 CG2 THR A 72 23.333 24.658 -26.575 1.00 0.00 C ATOM 0 H THR A 72 24.910 22.111 -29.058 1.00 0.00 H new ATOM 0 HA THR A 72 22.394 22.496 -27.608 1.00 0.00 H new ATOM 0 HB THR A 72 22.513 24.940 -28.525 1.00 0.00 H new ATOM 0 HG1 THR A 72 24.714 25.749 -28.461 1.00 0.00 H new ATOM 0 HG21 THR A 72 23.498 25.722 -26.404 1.00 0.00 H new ATOM 0 HG22 THR A 72 22.374 24.366 -26.147 1.00 0.00 H new ATOM 0 HG23 THR A 72 24.131 24.086 -26.101 1.00 0.00 H new ATOM 1040 N GLU A 73 22.364 21.466 -30.161 1.00 0.00 N ATOM 1041 CA GLU A 73 21.851 21.149 -31.487 1.00 0.00 C ATOM 1042 C GLU A 73 20.324 21.152 -31.530 1.00 0.00 C ATOM 1043 O GLU A 73 19.726 21.467 -32.560 1.00 0.00 O ATOM 1044 CB GLU A 73 22.381 19.783 -31.929 1.00 0.00 C ATOM 1045 CG GLU A 73 21.690 18.613 -31.260 1.00 0.00 C ATOM 1046 CD GLU A 73 22.653 17.760 -30.461 1.00 0.00 C ATOM 1047 OE1 GLU A 73 23.864 18.051 -30.500 1.00 0.00 O ATOM 1048 OE2 GLU A 73 22.199 16.806 -29.797 1.00 0.00 O ATOM 0 H GLU A 73 22.585 20.649 -29.592 1.00 0.00 H new ATOM 0 HA GLU A 73 22.198 21.924 -32.170 1.00 0.00 H new ATOM 0 HB2 GLU A 73 22.266 19.691 -33.009 1.00 0.00 H new ATOM 0 HB3 GLU A 73 23.449 19.732 -31.717 1.00 0.00 H new ATOM 0 HG2 GLU A 73 20.905 18.985 -30.602 1.00 0.00 H new ATOM 0 HG3 GLU A 73 21.205 17.998 -32.018 1.00 0.00 H new ATOM 1055 N GLY A 74 19.697 20.783 -30.421 1.00 0.00 N ATOM 1056 CA GLY A 74 18.247 20.735 -30.375 1.00 0.00 C ATOM 1057 C GLY A 74 17.621 21.933 -29.686 1.00 0.00 C ATOM 1058 O GLY A 74 16.506 21.841 -29.171 1.00 0.00 O ATOM 0 H GLY A 74 20.164 20.517 -29.554 1.00 0.00 H new ATOM 0 HA2 GLY A 74 17.862 20.669 -31.392 1.00 0.00 H new ATOM 0 HA3 GLY A 74 17.938 19.827 -29.858 1.00 0.00 H new ATOM 1122 N HIS A 79 22.194 27.132 -24.587 1.00 0.00 N ATOM 1123 CA HIS A 79 22.679 26.439 -23.399 1.00 0.00 C ATOM 1124 C HIS A 79 23.017 24.992 -23.723 1.00 0.00 C ATOM 1125 O HIS A 79 22.148 24.211 -24.102 1.00 0.00 O ATOM 1126 CB HIS A 79 21.642 26.492 -22.279 1.00 0.00 C ATOM 1127 CG HIS A 79 20.851 27.763 -22.249 1.00 0.00 C ATOM 1128 ND1 HIS A 79 21.311 28.949 -22.781 1.00 0.00 N ATOM 1129 CD2 HIS A 79 19.621 28.030 -21.749 1.00 0.00 C ATOM 1130 CE1 HIS A 79 20.399 29.889 -22.610 1.00 0.00 C ATOM 1131 NE2 HIS A 79 19.365 29.358 -21.986 1.00 0.00 N ATOM 0 HA HIS A 79 23.584 26.945 -23.062 1.00 0.00 H new ATOM 0 HB2 HIS A 79 20.957 25.651 -22.390 1.00 0.00 H new ATOM 0 HB3 HIS A 79 22.148 26.367 -21.322 1.00 0.00 H new ATOM 0 HD1 HIS A 79 22.215 29.080 -23.236 1.00 0.00 H new ATOM 0 HD2 HIS A 79 18.964 27.329 -21.256 1.00 0.00 H new ATOM 0 HE1 HIS A 79 20.485 30.918 -22.927 1.00 0.00 H new ATOM 1140 N LEU A 80 24.286 24.640 -23.570 1.00 0.00 N ATOM 1141 CA LEU A 80 24.735 23.284 -23.848 1.00 0.00 C ATOM 1142 C LEU A 80 23.909 22.275 -23.060 1.00 0.00 C ATOM 1143 O LEU A 80 23.543 22.519 -21.910 1.00 0.00 O ATOM 1144 CB LEU A 80 26.218 23.133 -23.504 1.00 0.00 C ATOM 1145 CG LEU A 80 27.183 23.504 -24.629 1.00 0.00 C ATOM 1146 CD1 LEU A 80 26.913 24.918 -25.122 1.00 0.00 C ATOM 1147 CD2 LEU A 80 28.624 23.367 -24.160 1.00 0.00 C ATOM 0 H LEU A 80 25.021 25.273 -23.256 1.00 0.00 H new ATOM 0 HA LEU A 80 24.600 23.089 -24.912 1.00 0.00 H new ATOM 0 HB2 LEU A 80 26.439 23.754 -22.636 1.00 0.00 H new ATOM 0 HB3 LEU A 80 26.404 22.100 -23.212 1.00 0.00 H new ATOM 0 HG LEU A 80 27.024 22.816 -25.460 1.00 0.00 H new ATOM 0 HD11 LEU A 80 27.610 25.163 -25.923 1.00 0.00 H new ATOM 0 HD12 LEU A 80 25.892 24.984 -25.497 1.00 0.00 H new ATOM 0 HD13 LEU A 80 27.043 25.621 -24.299 1.00 0.00 H new ATOM 0 HD21 LEU A 80 29.298 23.635 -24.973 1.00 0.00 H new ATOM 0 HD22 LEU A 80 28.796 24.031 -23.313 1.00 0.00 H new ATOM 0 HD23 LEU A 80 28.812 22.337 -23.858 1.00 0.00 H new ATOM 1159 N TRP A 81 23.614 21.143 -23.687 1.00 0.00 N ATOM 1160 CA TRP A 81 22.825 20.100 -23.044 1.00 0.00 C ATOM 1161 C TRP A 81 23.424 18.724 -23.305 1.00 0.00 C ATOM 1162 O TRP A 81 24.327 18.571 -24.126 1.00 0.00 O ATOM 1163 CB TRP A 81 21.381 20.144 -23.545 1.00 0.00 C ATOM 1164 CG TRP A 81 21.246 19.835 -25.005 1.00 0.00 C ATOM 1165 CD1 TRP A 81 21.406 20.704 -26.046 1.00 0.00 C ATOM 1166 CD2 TRP A 81 20.923 18.567 -25.588 1.00 0.00 C ATOM 1167 NE1 TRP A 81 21.201 20.056 -27.238 1.00 0.00 N ATOM 1168 CE2 TRP A 81 20.902 18.743 -26.983 1.00 0.00 C ATOM 1169 CE3 TRP A 81 20.648 17.300 -25.064 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 20.616 17.700 -27.861 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 20.366 16.266 -25.936 1.00 0.00 C ATOM 1172 CH2 TRP A 81 20.352 16.471 -27.322 1.00 0.00 C ATOM 0 H TRP A 81 23.909 20.924 -24.639 1.00 0.00 H new ATOM 0 HA TRP A 81 22.836 20.282 -21.969 1.00 0.00 H new ATOM 0 HB2 TRP A 81 20.785 19.432 -22.974 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.967 21.134 -23.351 1.00 0.00 H new ATOM 0 HD1 TRP A 81 21.657 21.750 -25.946 1.00 0.00 H new ATOM 0 HE1 TRP A 81 21.261 20.482 -28.163 1.00 0.00 H new ATOM 0 HE3 TRP A 81 20.656 17.133 -23.997 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 20.603 17.856 -28.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 20.153 15.283 -25.543 1.00 0.00 H new ATOM 0 HH2 TRP A 81 20.128 15.642 -27.978 1.00 0.00 H new ATOM 1183 N CYS A 82 22.910 17.726 -22.599 1.00 0.00 N ATOM 1184 CA CYS A 82 23.384 16.357 -22.746 1.00 0.00 C ATOM 1185 C CYS A 82 22.316 15.363 -22.304 1.00 0.00 C ATOM 1186 O CYS A 82 21.311 15.743 -21.703 1.00 0.00 O ATOM 1187 CB CYS A 82 24.660 16.147 -21.928 1.00 0.00 C ATOM 1188 SG CYS A 82 24.371 15.944 -20.140 1.00 0.00 S ATOM 0 H CYS A 82 22.161 17.840 -21.916 1.00 0.00 H new ATOM 0 HA CYS A 82 23.603 16.185 -23.800 1.00 0.00 H new ATOM 0 HB2 CYS A 82 25.179 15.265 -22.304 1.00 0.00 H new ATOM 0 HB3 CYS A 82 25.323 16.998 -22.084 1.00 0.00 H new ATOM 1193 N SER A 83 22.540 14.089 -22.604 1.00 0.00 N ATOM 1194 CA SER A 83 21.596 13.041 -22.236 1.00 0.00 C ATOM 1195 C SER A 83 22.063 12.309 -20.982 1.00 0.00 C ATOM 1196 O SER A 83 23.254 12.055 -20.809 1.00 0.00 O ATOM 1197 CB SER A 83 21.432 12.047 -23.388 1.00 0.00 C ATOM 1198 OG SER A 83 21.041 10.773 -22.910 1.00 0.00 O ATOM 0 H SER A 83 23.367 13.757 -23.101 1.00 0.00 H new ATOM 0 HA SER A 83 20.633 13.508 -22.028 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.687 12.420 -24.091 1.00 0.00 H new ATOM 0 HB3 SER A 83 22.371 11.961 -23.935 1.00 0.00 H new ATOM 0 HG SER A 83 20.941 10.157 -23.665 1.00 0.00 H new ATOM 1204 N THR A 84 21.120 11.975 -20.109 1.00 0.00 N ATOM 1205 CA THR A 84 21.438 11.271 -18.872 1.00 0.00 C ATOM 1206 C THR A 84 21.140 9.782 -19.004 1.00 0.00 C ATOM 1207 O THR A 84 21.576 8.975 -18.183 1.00 0.00 O ATOM 1208 CB THR A 84 20.643 11.840 -17.682 1.00 0.00 C ATOM 1209 OG1 THR A 84 19.324 11.285 -17.663 1.00 0.00 O ATOM 1210 CG2 THR A 84 20.560 13.356 -17.762 1.00 0.00 C ATOM 0 H THR A 84 20.129 12.180 -20.235 1.00 0.00 H new ATOM 0 HA THR A 84 22.503 11.414 -18.686 1.00 0.00 H new ATOM 0 HB THR A 84 21.163 11.569 -16.763 1.00 0.00 H new ATOM 0 HG1 THR A 84 19.065 11.089 -16.738 1.00 0.00 H new ATOM 0 HG21 THR A 84 19.994 13.735 -16.911 1.00 0.00 H new ATOM 0 HG22 THR A 84 21.565 13.777 -17.745 1.00 0.00 H new ATOM 0 HG23 THR A 84 20.061 13.645 -18.687 1.00 0.00 H new ATOM 1218 N THR A 85 20.394 9.428 -20.045 1.00 0.00 N ATOM 1219 CA THR A 85 20.033 8.040 -20.293 1.00 0.00 C ATOM 1220 C THR A 85 20.230 7.684 -21.763 1.00 0.00 C ATOM 1221 O THR A 85 19.666 8.326 -22.648 1.00 0.00 O ATOM 1222 CB THR A 85 18.568 7.765 -19.895 1.00 0.00 C ATOM 1223 OG1 THR A 85 18.442 7.753 -18.467 1.00 0.00 O ATOM 1224 CG2 THR A 85 18.085 6.437 -20.460 1.00 0.00 C ATOM 0 H THR A 85 20.027 10.087 -20.732 1.00 0.00 H new ATOM 0 HA THR A 85 20.688 7.420 -19.681 1.00 0.00 H new ATOM 0 HB THR A 85 17.951 8.562 -20.311 1.00 0.00 H new ATOM 0 HG1 THR A 85 17.509 7.580 -18.222 1.00 0.00 H new ATOM 0 HG21 THR A 85 17.050 6.270 -20.163 1.00 0.00 H new ATOM 0 HG22 THR A 85 18.152 6.459 -21.548 1.00 0.00 H new ATOM 0 HG23 THR A 85 18.707 5.630 -20.074 1.00 0.00 H new ATOM 1232 N SER A 86 21.034 6.655 -22.018 1.00 0.00 N ATOM 1233 CA SER A 86 21.303 6.218 -23.384 1.00 0.00 C ATOM 1234 C SER A 86 20.052 6.348 -24.245 1.00 0.00 C ATOM 1235 O SER A 86 20.137 6.591 -25.450 1.00 0.00 O ATOM 1236 CB SER A 86 21.799 4.771 -23.393 1.00 0.00 C ATOM 1237 OG SER A 86 21.653 4.173 -22.117 1.00 0.00 O ATOM 0 H SER A 86 21.509 6.110 -21.299 1.00 0.00 H new ATOM 0 HA SER A 86 22.080 6.859 -23.801 1.00 0.00 H new ATOM 0 HB2 SER A 86 21.241 4.197 -24.133 1.00 0.00 H new ATOM 0 HB3 SER A 86 22.847 4.744 -23.693 1.00 0.00 H new ATOM 0 HG SER A 86 21.976 3.248 -22.150 1.00 0.00 H new ATOM 1243 N ASN A 87 18.890 6.190 -23.619 1.00 0.00 N ATOM 1244 CA ASN A 87 17.620 6.295 -24.324 1.00 0.00 C ATOM 1245 C ASN A 87 16.910 7.598 -23.972 1.00 0.00 C ATOM 1246 O ASN A 87 15.870 7.592 -23.315 1.00 0.00 O ATOM 1247 CB ASN A 87 16.722 5.106 -23.977 1.00 0.00 C ATOM 1248 CG ASN A 87 16.274 4.342 -25.206 1.00 0.00 C ATOM 1249 OD1 ASN A 87 16.892 3.351 -25.594 1.00 0.00 O ATOM 1250 ND2 ASN A 87 15.194 4.801 -25.827 1.00 0.00 N ATOM 0 H ASN A 87 18.803 5.988 -22.623 1.00 0.00 H new ATOM 0 HA ASN A 87 17.825 6.289 -25.395 1.00 0.00 H new ATOM 0 HB2 ASN A 87 17.258 4.432 -23.309 1.00 0.00 H new ATOM 0 HB3 ASN A 87 15.846 5.462 -23.435 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.846 4.328 -26.661 1.00 0.00 H new ATOM 0 HD22 ASN A 87 14.713 5.626 -25.470 1.00 0.00 H new ATOM 1257 N TYR A 88 17.478 8.714 -24.416 1.00 0.00 N ATOM 1258 CA TYR A 88 16.897 10.023 -24.150 1.00 0.00 C ATOM 1259 C TYR A 88 15.652 10.239 -25.005 1.00 0.00 C ATOM 1260 O TYR A 88 14.838 11.118 -24.724 1.00 0.00 O ATOM 1261 CB TYR A 88 17.926 11.128 -24.420 1.00 0.00 C ATOM 1262 CG TYR A 88 17.313 12.459 -24.795 1.00 0.00 C ATOM 1263 CD1 TYR A 88 16.878 12.703 -26.091 1.00 0.00 C ATOM 1264 CD2 TYR A 88 17.167 13.470 -23.852 1.00 0.00 C ATOM 1265 CE1 TYR A 88 16.315 13.916 -26.439 1.00 0.00 C ATOM 1266 CE2 TYR A 88 16.605 14.686 -24.192 1.00 0.00 C ATOM 1267 CZ TYR A 88 16.181 14.904 -25.486 1.00 0.00 C ATOM 1268 OH TYR A 88 15.620 16.112 -25.828 1.00 0.00 O ATOM 0 H TYR A 88 18.340 8.737 -24.961 1.00 0.00 H new ATOM 0 HA TYR A 88 16.607 10.065 -23.100 1.00 0.00 H new ATOM 0 HB2 TYR A 88 18.543 11.261 -23.531 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.589 10.805 -25.223 1.00 0.00 H new ATOM 0 HD1 TYR A 88 16.981 11.932 -26.840 1.00 0.00 H new ATOM 0 HD2 TYR A 88 17.498 13.303 -22.838 1.00 0.00 H new ATOM 0 HE1 TYR A 88 15.982 14.089 -27.452 1.00 0.00 H new ATOM 0 HE2 TYR A 88 16.498 15.462 -23.448 1.00 0.00 H new ATOM 0 HH TYR A 88 15.598 16.697 -25.042 1.00 0.00 H new ATOM 1278 N GLU A 89 15.515 9.431 -26.050 1.00 0.00 N ATOM 1279 CA GLU A 89 14.372 9.533 -26.947 1.00 0.00 C ATOM 1280 C GLU A 89 13.091 9.094 -26.244 1.00 0.00 C ATOM 1281 O GLU A 89 11.990 9.467 -26.648 1.00 0.00 O ATOM 1282 CB GLU A 89 14.600 8.686 -28.200 1.00 0.00 C ATOM 1283 CG GLU A 89 15.380 9.407 -29.288 1.00 0.00 C ATOM 1284 CD GLU A 89 15.470 8.603 -30.571 1.00 0.00 C ATOM 1285 OE1 GLU A 89 14.451 8.509 -31.285 1.00 0.00 O ATOM 1286 OE2 GLU A 89 16.562 8.067 -30.859 1.00 0.00 O ATOM 0 H GLU A 89 16.181 8.699 -26.296 1.00 0.00 H new ATOM 0 HA GLU A 89 14.264 10.577 -27.242 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.135 7.778 -27.922 1.00 0.00 H new ATOM 0 HB3 GLU A 89 13.634 8.377 -28.601 1.00 0.00 H new ATOM 0 HG2 GLU A 89 14.904 10.365 -29.497 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.386 9.622 -28.927 1.00 0.00 H new ATOM 1293 N GLN A 90 13.242 8.300 -25.189 1.00 0.00 N ATOM 1294 CA GLN A 90 12.097 7.812 -24.428 1.00 0.00 C ATOM 1295 C GLN A 90 12.107 8.369 -23.008 1.00 0.00 C ATOM 1296 O GLN A 90 11.063 8.720 -22.459 1.00 0.00 O ATOM 1297 CB GLN A 90 12.094 6.282 -24.392 1.00 0.00 C ATOM 1298 CG GLN A 90 12.963 5.697 -23.292 1.00 0.00 C ATOM 1299 CD GLN A 90 12.670 4.232 -23.035 1.00 0.00 C ATOM 1300 OE1 GLN A 90 12.841 3.740 -21.920 1.00 0.00 O ATOM 1301 NE2 GLN A 90 12.228 3.526 -24.069 1.00 0.00 N ATOM 0 H GLN A 90 14.146 7.981 -24.841 1.00 0.00 H new ATOM 0 HA GLN A 90 11.190 8.157 -24.925 1.00 0.00 H new ATOM 0 HB2 GLN A 90 11.070 5.932 -24.259 1.00 0.00 H new ATOM 0 HB3 GLN A 90 12.438 5.904 -25.355 1.00 0.00 H new ATOM 0 HG2 GLN A 90 14.012 5.812 -23.563 1.00 0.00 H new ATOM 0 HG3 GLN A 90 12.808 6.262 -22.373 1.00 0.00 H new ATOM 0 HE21 GLN A 90 12.101 3.975 -24.976 1.00 0.00 H new ATOM 0 HE22 GLN A 90 12.016 2.535 -23.956 1.00 0.00 H new ATOM 1310 N ASP A 91 13.296 8.440 -22.419 1.00 0.00 N ATOM 1311 CA ASP A 91 13.449 8.949 -21.061 1.00 0.00 C ATOM 1312 C ASP A 91 13.252 10.461 -21.015 1.00 0.00 C ATOM 1313 O ASP A 91 12.544 10.979 -20.151 1.00 0.00 O ATOM 1314 CB ASP A 91 14.829 8.581 -20.513 1.00 0.00 C ATOM 1315 CG ASP A 91 14.802 7.311 -19.685 1.00 0.00 C ATOM 1316 OD1 ASP A 91 14.815 6.214 -20.283 1.00 0.00 O ATOM 1317 OD2 ASP A 91 14.768 7.414 -18.442 1.00 0.00 O ATOM 0 H ASP A 91 14.169 8.151 -22.861 1.00 0.00 H new ATOM 0 HA ASP A 91 12.682 8.488 -20.438 1.00 0.00 H new ATOM 0 HB2 ASP A 91 15.525 8.456 -21.343 1.00 0.00 H new ATOM 0 HB3 ASP A 91 15.205 9.402 -19.902 1.00 0.00 H new ATOM 1322 N GLN A 92 13.882 11.164 -21.950 1.00 0.00 N ATOM 1323 CA GLN A 92 13.775 12.618 -22.016 1.00 0.00 C ATOM 1324 C GLN A 92 14.570 13.276 -20.893 1.00 0.00 C ATOM 1325 O GLN A 92 14.438 14.474 -20.644 1.00 0.00 O ATOM 1326 CB GLN A 92 12.309 13.047 -21.934 1.00 0.00 C ATOM 1327 CG GLN A 92 11.936 14.131 -22.933 1.00 0.00 C ATOM 1328 CD GLN A 92 11.626 13.574 -24.308 1.00 0.00 C ATOM 1329 OE1 GLN A 92 12.257 13.945 -25.298 1.00 0.00 O ATOM 1330 NE2 GLN A 92 10.649 12.677 -24.378 1.00 0.00 N ATOM 0 H GLN A 92 14.472 10.751 -22.673 1.00 0.00 H new ATOM 0 HA GLN A 92 14.191 12.943 -22.970 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.674 12.177 -22.101 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.100 13.406 -20.926 1.00 0.00 H new ATOM 0 HG2 GLN A 92 11.069 14.678 -22.563 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.755 14.846 -23.011 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.152 12.398 -23.532 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.396 12.267 -25.277 1.00 0.00 H new ATOM 1339 N LYS A 93 15.397 12.484 -20.217 1.00 0.00 N ATOM 1340 CA LYS A 93 16.213 12.991 -19.119 1.00 0.00 C ATOM 1341 C LYS A 93 17.512 13.595 -19.640 1.00 0.00 C ATOM 1342 O LYS A 93 18.460 12.878 -19.958 1.00 0.00 O ATOM 1343 CB LYS A 93 16.519 11.870 -18.126 1.00 0.00 C ATOM 1344 CG LYS A 93 15.368 11.565 -17.183 1.00 0.00 C ATOM 1345 CD LYS A 93 14.057 11.419 -17.939 1.00 0.00 C ATOM 1346 CE LYS A 93 13.142 10.403 -17.277 1.00 0.00 C ATOM 1347 NZ LYS A 93 13.896 9.215 -16.787 1.00 0.00 N ATOM 0 H LYS A 93 15.520 11.490 -20.410 1.00 0.00 H new ATOM 0 HA LYS A 93 15.650 13.773 -18.611 1.00 0.00 H new ATOM 0 HB2 LYS A 93 16.775 10.966 -18.678 1.00 0.00 H new ATOM 0 HB3 LYS A 93 17.396 12.144 -17.540 1.00 0.00 H new ATOM 0 HG2 LYS A 93 15.578 10.647 -16.635 1.00 0.00 H new ATOM 0 HG3 LYS A 93 15.278 12.363 -16.446 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.555 12.385 -17.988 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.260 11.113 -18.965 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.621 10.872 -16.442 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.381 10.082 -17.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.227 8.462 -16.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.530 8.873 -17.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.458 9.480 -15.953 1.00 0.00 H new ATOM 1361 N TYR A 94 17.546 14.920 -19.725 1.00 0.00 N ATOM 1362 CA TYR A 94 18.727 15.625 -20.208 1.00 0.00 C ATOM 1363 C TYR A 94 19.287 16.551 -19.133 1.00 0.00 C ATOM 1364 O TYR A 94 18.693 16.714 -18.067 1.00 0.00 O ATOM 1365 CB TYR A 94 18.387 16.431 -21.462 1.00 0.00 C ATOM 1366 CG TYR A 94 17.774 17.781 -21.168 1.00 0.00 C ATOM 1367 CD1 TYR A 94 16.437 17.894 -20.807 1.00 0.00 C ATOM 1368 CD2 TYR A 94 18.532 18.942 -21.251 1.00 0.00 C ATOM 1369 CE1 TYR A 94 15.874 19.127 -20.537 1.00 0.00 C ATOM 1370 CE2 TYR A 94 17.975 20.178 -20.982 1.00 0.00 C ATOM 1371 CZ TYR A 94 16.646 20.265 -20.625 1.00 0.00 C ATOM 1372 OH TYR A 94 16.089 21.494 -20.357 1.00 0.00 O ATOM 0 H TYR A 94 16.769 15.528 -19.466 1.00 0.00 H new ATOM 0 HA TYR A 94 19.486 14.883 -20.454 1.00 0.00 H new ATOM 0 HB2 TYR A 94 19.294 16.574 -22.049 1.00 0.00 H new ATOM 0 HB3 TYR A 94 17.697 15.855 -22.078 1.00 0.00 H new ATOM 0 HD1 TYR A 94 15.828 17.005 -20.736 1.00 0.00 H new ATOM 0 HD2 TYR A 94 19.573 18.878 -21.530 1.00 0.00 H new ATOM 0 HE1 TYR A 94 14.833 19.198 -20.258 1.00 0.00 H new ATOM 0 HE2 TYR A 94 18.578 21.071 -21.051 1.00 0.00 H new ATOM 0 HH TYR A 94 16.777 22.188 -20.433 1.00 0.00 H new ATOM 1382 N SER A 95 20.435 17.155 -19.421 1.00 0.00 N ATOM 1383 CA SER A 95 21.077 18.065 -18.480 1.00 0.00 C ATOM 1384 C SER A 95 21.944 19.082 -19.215 1.00 0.00 C ATOM 1385 O SER A 95 22.689 18.732 -20.130 1.00 0.00 O ATOM 1386 CB SER A 95 21.925 17.282 -17.478 1.00 0.00 C ATOM 1387 OG SER A 95 21.858 15.890 -17.733 1.00 0.00 O ATOM 0 H SER A 95 20.940 17.031 -20.299 1.00 0.00 H new ATOM 0 HA SER A 95 20.296 18.602 -17.941 1.00 0.00 H new ATOM 0 HB2 SER A 95 22.961 17.616 -17.534 1.00 0.00 H new ATOM 0 HB3 SER A 95 21.579 17.487 -16.465 1.00 0.00 H new ATOM 0 HG SER A 95 22.514 15.652 -18.421 1.00 0.00 H new ATOM 1393 N PHE A 96 21.844 20.343 -18.807 1.00 0.00 N ATOM 1394 CA PHE A 96 22.621 21.411 -19.426 1.00 0.00 C ATOM 1395 C PHE A 96 24.108 21.235 -19.143 1.00 0.00 C ATOM 1396 O PHE A 96 24.510 20.305 -18.444 1.00 0.00 O ATOM 1397 CB PHE A 96 22.151 22.774 -18.916 1.00 0.00 C ATOM 1398 CG PHE A 96 20.833 23.209 -19.491 1.00 0.00 C ATOM 1399 CD1 PHE A 96 20.533 22.976 -20.822 1.00 0.00 C ATOM 1400 CD2 PHE A 96 19.895 23.852 -18.698 1.00 0.00 C ATOM 1401 CE1 PHE A 96 19.321 23.374 -21.354 1.00 0.00 C ATOM 1402 CE2 PHE A 96 18.682 24.253 -19.224 1.00 0.00 C ATOM 1403 CZ PHE A 96 18.395 24.014 -20.553 1.00 0.00 C ATOM 0 H PHE A 96 21.233 20.650 -18.051 1.00 0.00 H new ATOM 0 HA PHE A 96 22.466 21.361 -20.504 1.00 0.00 H new ATOM 0 HB2 PHE A 96 22.070 22.738 -17.830 1.00 0.00 H new ATOM 0 HB3 PHE A 96 22.907 23.522 -19.155 1.00 0.00 H new ATOM 0 HD1 PHE A 96 21.254 22.477 -21.452 1.00 0.00 H new ATOM 0 HD2 PHE A 96 20.115 24.041 -17.658 1.00 0.00 H new ATOM 0 HE1 PHE A 96 19.098 23.185 -22.394 1.00 0.00 H new ATOM 0 HE2 PHE A 96 17.959 24.753 -18.596 1.00 0.00 H new ATOM 0 HZ PHE A 96 17.448 24.327 -20.966 1.00 0.00 H new ATOM 1413 N CYS A 97 24.922 22.133 -19.686 1.00 0.00 N ATOM 1414 CA CYS A 97 26.365 22.077 -19.486 1.00 0.00 C ATOM 1415 C CYS A 97 26.982 23.469 -19.590 1.00 0.00 C ATOM 1416 O CYS A 97 26.636 24.246 -20.479 1.00 0.00 O ATOM 1417 CB CYS A 97 27.008 21.138 -20.510 1.00 0.00 C ATOM 1418 SG CYS A 97 26.469 19.403 -20.369 1.00 0.00 S ATOM 0 H CYS A 97 24.607 22.909 -20.268 1.00 0.00 H new ATOM 0 HA CYS A 97 26.555 21.691 -18.485 1.00 0.00 H new ATOM 0 HB2 CYS A 97 26.778 21.499 -21.513 1.00 0.00 H new ATOM 0 HB3 CYS A 97 28.091 21.181 -20.397 1.00 0.00 H new ATOM 1423 N THR A 98 27.893 23.777 -18.673 1.00 0.00 N ATOM 1424 CA THR A 98 28.556 25.072 -18.656 1.00 0.00 C ATOM 1425 C THR A 98 29.108 25.437 -20.029 1.00 0.00 C ATOM 1426 O THR A 98 28.482 26.185 -20.779 1.00 0.00 O ATOM 1427 CB THR A 98 29.695 25.092 -17.622 1.00 0.00 C ATOM 1428 OG1 THR A 98 30.783 24.273 -18.068 1.00 0.00 O ATOM 1429 CG2 THR A 98 29.203 24.596 -16.271 1.00 0.00 C ATOM 0 H THR A 98 28.189 23.144 -17.930 1.00 0.00 H new ATOM 0 HA THR A 98 27.806 25.812 -18.377 1.00 0.00 H new ATOM 0 HB THR A 98 30.039 26.121 -17.515 1.00 0.00 H new ATOM 0 HG1 THR A 98 31.503 24.295 -17.403 1.00 0.00 H new ATOM 0 HG21 THR A 98 30.024 24.618 -15.554 1.00 0.00 H new ATOM 0 HG22 THR A 98 28.396 25.239 -15.919 1.00 0.00 H new ATOM 0 HG23 THR A 98 28.835 23.575 -16.370 1.00 0.00 H new