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 45 GLN : amide:sc= 1.1 K(o=0.57,f=-3.7!) USER MOD Set 1.2: A 98 THR OG1 : rot 140:sc= -0.532! USER MOD Set 2.1: A 88 TYR OH : rot -77:sc= 0.387 USER MOD Set 2.2: A 92 GLN : amide:sc= -0.27 X(o=0.12,f=-0.25) USER MOD Set 3.1: A 51 SER OG : rot -150:sc= 0 USER MOD Set 3.2: A 84 THR OG1 : rot -20:sc= 0.0196 USER MOD Set 3.3: A 85 THR OG1 : rot -172:sc= 0.197 USER MOD Set 4.1: A 50 ASN : amide:sc= 0 X(o=0,f=0.036) USER MOD Set 4.2: A 94 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 17 GLN : amide:sc= -0.565 X(o=-2.4,f=-2.7) USER MOD Set 6.2: A 30 THR OG1 : rot 180:sc= -1.85! USER MOD Set 7.1: A 3 HIS :FLIP no HD1:sc= -0.788 F(o=-3.2!,f=-0.75) USER MOD Set 7.2: A 13 SER OG : rot -2:sc= 0.0347 USER MOD Single : A 6 THR OG1 : rot -172:sc= -0.563! USER MOD Single : A 8 SER OG : rot -80:sc= 0.512 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl 147:sc= -3.01! (180deg=-3.96!) USER MOD Single : A 26 GLN : amide:sc= -0.0199 K(o=-0.02,f=-1.1) USER MOD Single : A 34 ASN : amide:sc= -0.0365 K(o=-0.037,f=-2!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -0.518 F(o=-1.4,f=-0.52) USER MOD Single : A 46 THR OG1 : rot -150:sc= -0.627 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.376 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 30:sc= -3.79! USER MOD Single : A 63 ASN : amide:sc= -0.0643 K(o=-0.064,f=-0.94) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0.592 USER MOD Single : A 71 THR OG1 : rot 178:sc= 0.461 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.239 K(o=-0.24,f=-0.88) USER MOD Single : A 83 SER OG : rot 118:sc= -3.22! USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.281 X(o=-0.28,f=0) USER MOD Single : A 90 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.091) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 123:sc= 0.73 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 45.275 6.388 -42.465 1.00 0.00 N ATOM 32 CA HIS A 3 45.292 5.458 -41.344 1.00 0.00 C ATOM 33 C HIS A 3 45.806 6.141 -40.080 1.00 0.00 C ATOM 34 O HIS A 3 46.869 6.761 -40.087 1.00 0.00 O ATOM 35 CB HIS A 3 46.171 4.251 -41.676 1.00 0.00 C ATOM 36 CG HIS A 3 45.405 3.078 -42.207 1.00 0.00 C ATOM 37 ND1 HIS A 3 44.623 2.170 -41.577 1.00 0.00 N flip ATOM 38 CD2 HIS A 3 45.397 2.727 -43.541 1.00 0.00 C flip ATOM 39 CE1 HIS A 3 44.162 1.297 -42.532 1.00 0.00 C flip ATOM 40 NE2 HIS A 3 44.643 1.656 -43.707 1.00 0.00 N flip ATOM 0 HA HIS A 3 44.271 5.121 -41.164 1.00 0.00 H new ATOM 0 HB2 HIS A 3 46.919 4.548 -42.411 1.00 0.00 H new ATOM 0 HB3 HIS A 3 46.709 3.946 -40.778 1.00 0.00 H new ATOM 0 HD2 HIS A 3 45.925 3.247 -44.327 1.00 0.00 H new ATOM 0 HE1 HIS A 3 43.512 0.454 -42.351 1.00 0.00 H new ATOM 0 HE2 HIS A 3 44.463 1.186 -44.594 1.00 0.00 H new ATOM 49 N CYS A 4 45.047 6.018 -38.997 1.00 0.00 N ATOM 50 CA CYS A 4 45.429 6.621 -37.724 1.00 0.00 C ATOM 51 C CYS A 4 45.900 5.555 -36.742 1.00 0.00 C ATOM 52 O CYS A 4 45.626 4.370 -36.920 1.00 0.00 O ATOM 53 CB CYS A 4 44.256 7.407 -37.130 1.00 0.00 C ATOM 54 SG CYS A 4 42.615 6.755 -37.587 1.00 0.00 S ATOM 0 H CYS A 4 44.165 5.507 -38.974 1.00 0.00 H new ATOM 0 HA CYS A 4 46.254 7.309 -37.908 1.00 0.00 H new ATOM 0 HB2 CYS A 4 44.345 7.407 -36.044 1.00 0.00 H new ATOM 0 HB3 CYS A 4 44.326 8.445 -37.455 1.00 0.00 H new ATOM 59 N VAL A 5 46.615 5.984 -35.708 1.00 0.00 N ATOM 60 CA VAL A 5 47.127 5.065 -34.700 1.00 0.00 C ATOM 61 C VAL A 5 47.123 5.710 -33.317 1.00 0.00 C ATOM 62 O VAL A 5 47.224 6.931 -33.191 1.00 0.00 O ATOM 63 CB VAL A 5 48.560 4.605 -35.034 1.00 0.00 C ATOM 64 CG1 VAL A 5 48.813 3.208 -34.489 1.00 0.00 C ATOM 65 CG2 VAL A 5 48.801 4.651 -36.535 1.00 0.00 C ATOM 0 H VAL A 5 46.853 6.963 -35.546 1.00 0.00 H new ATOM 0 HA VAL A 5 46.466 4.198 -34.697 1.00 0.00 H new ATOM 0 HB VAL A 5 49.261 5.289 -34.556 1.00 0.00 H new ATOM 0 HG11 VAL A 5 49.829 2.900 -34.734 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.686 3.211 -33.406 1.00 0.00 H new ATOM 0 HG13 VAL A 5 48.105 2.510 -34.935 1.00 0.00 H new ATOM 0 HG21 VAL A 5 49.818 4.323 -36.750 1.00 0.00 H new ATOM 0 HG22 VAL A 5 48.093 3.992 -37.038 1.00 0.00 H new ATOM 0 HG23 VAL A 5 48.665 5.671 -36.894 1.00 0.00 H new ATOM 75 N THR A 6 47.005 4.884 -32.284 1.00 0.00 N ATOM 76 CA THR A 6 46.987 5.376 -30.912 1.00 0.00 C ATOM 77 C THR A 6 48.331 5.151 -30.229 1.00 0.00 C ATOM 78 O THR A 6 49.123 6.080 -30.073 1.00 0.00 O ATOM 79 CB THR A 6 45.883 4.690 -30.085 1.00 0.00 C ATOM 80 OG1 THR A 6 46.219 3.315 -29.861 1.00 0.00 O ATOM 81 CG2 THR A 6 44.541 4.779 -30.796 1.00 0.00 C ATOM 0 H THR A 6 46.920 3.871 -32.370 1.00 0.00 H new ATOM 0 HA THR A 6 46.783 6.446 -30.962 1.00 0.00 H new ATOM 0 HB THR A 6 45.805 5.205 -29.127 1.00 0.00 H new ATOM 0 HG1 THR A 6 45.459 2.856 -29.446 1.00 0.00 H new ATOM 0 HG21 THR A 6 43.777 4.288 -30.194 1.00 0.00 H new ATOM 0 HG22 THR A 6 44.273 5.826 -30.939 1.00 0.00 H new ATOM 0 HG23 THR A 6 44.610 4.287 -31.766 1.00 0.00 H new ATOM 89 N ASP A 7 48.578 3.911 -29.820 1.00 0.00 N ATOM 90 CA ASP A 7 49.824 3.561 -29.150 1.00 0.00 C ATOM 91 C ASP A 7 50.675 2.645 -30.024 1.00 0.00 C ATOM 92 O ASP A 7 51.660 2.071 -29.559 1.00 0.00 O ATOM 93 CB ASP A 7 49.531 2.878 -27.817 1.00 0.00 C ATOM 94 CG ASP A 7 49.323 3.871 -26.691 1.00 0.00 C ATOM 95 OD1 ASP A 7 48.821 4.982 -26.965 1.00 0.00 O ATOM 96 OD2 ASP A 7 49.661 3.539 -25.535 1.00 0.00 O ATOM 0 H ASP A 7 47.931 3.132 -29.941 1.00 0.00 H new ATOM 0 HA ASP A 7 50.381 4.480 -28.969 1.00 0.00 H new ATOM 0 HB2 ASP A 7 48.641 2.257 -27.918 1.00 0.00 H new ATOM 0 HB3 ASP A 7 50.357 2.213 -27.563 1.00 0.00 H new ATOM 101 N SER A 8 50.284 2.511 -31.287 1.00 0.00 N ATOM 102 CA SER A 8 51.003 1.663 -32.233 1.00 0.00 C ATOM 103 C SER A 8 50.473 0.234 -32.189 1.00 0.00 C ATOM 104 O SER A 8 51.106 -0.691 -32.698 1.00 0.00 O ATOM 105 CB SER A 8 52.504 1.673 -31.936 1.00 0.00 C ATOM 106 OG SER A 8 52.896 0.499 -31.245 1.00 0.00 O ATOM 0 H SER A 8 49.469 2.981 -31.681 1.00 0.00 H new ATOM 0 HA SER A 8 50.841 2.065 -33.233 1.00 0.00 H new ATOM 0 HB2 SER A 8 53.062 1.753 -32.869 1.00 0.00 H new ATOM 0 HB3 SER A 8 52.754 2.550 -31.339 1.00 0.00 H new ATOM 0 HG SER A 8 52.669 0.587 -30.296 1.00 0.00 H new ATOM 112 N GLY A 9 49.305 0.063 -31.579 1.00 0.00 N ATOM 113 CA GLY A 9 48.705 -1.254 -31.479 1.00 0.00 C ATOM 114 C GLY A 9 47.360 -1.327 -32.176 1.00 0.00 C ATOM 115 O GLY A 9 46.829 -2.414 -32.405 1.00 0.00 O ATOM 0 H GLY A 9 48.763 0.814 -31.152 1.00 0.00 H new ATOM 0 HA2 GLY A 9 49.378 -1.992 -31.915 1.00 0.00 H new ATOM 0 HA3 GLY A 9 48.582 -1.516 -30.428 1.00 0.00 H new ATOM 119 N VAL A 10 46.809 -0.166 -32.513 1.00 0.00 N ATOM 120 CA VAL A 10 45.518 -0.100 -33.189 1.00 0.00 C ATOM 121 C VAL A 10 45.580 0.838 -34.390 1.00 0.00 C ATOM 122 O VAL A 10 45.445 2.053 -34.252 1.00 0.00 O ATOM 123 CB VAL A 10 44.397 0.373 -32.239 1.00 0.00 C ATOM 124 CG1 VAL A 10 43.200 -0.558 -32.329 1.00 0.00 C ATOM 125 CG2 VAL A 10 44.900 0.464 -30.805 1.00 0.00 C ATOM 0 H VAL A 10 47.236 0.742 -32.329 1.00 0.00 H new ATOM 0 HA VAL A 10 45.288 -1.111 -33.525 1.00 0.00 H new ATOM 0 HB VAL A 10 44.085 1.370 -32.549 1.00 0.00 H new ATOM 0 HG11 VAL A 10 42.418 -0.211 -31.653 1.00 0.00 H new ATOM 0 HG12 VAL A 10 42.820 -0.565 -33.351 1.00 0.00 H new ATOM 0 HG13 VAL A 10 43.502 -1.567 -32.047 1.00 0.00 H new ATOM 0 HG21 VAL A 10 44.091 0.799 -30.156 1.00 0.00 H new ATOM 0 HG22 VAL A 10 45.245 -0.517 -30.477 1.00 0.00 H new ATOM 0 HG23 VAL A 10 45.725 1.175 -30.753 1.00 0.00 H new ATOM 135 N VAL A 11 45.789 0.261 -35.569 1.00 0.00 N ATOM 136 CA VAL A 11 45.875 1.038 -36.799 1.00 0.00 C ATOM 137 C VAL A 11 44.499 1.517 -37.251 1.00 0.00 C ATOM 138 O VAL A 11 43.889 0.933 -38.147 1.00 0.00 O ATOM 139 CB VAL A 11 46.517 0.223 -37.936 1.00 0.00 C ATOM 140 CG1 VAL A 11 46.481 1.003 -39.241 1.00 0.00 C ATOM 141 CG2 VAL A 11 47.943 -0.162 -37.576 1.00 0.00 C ATOM 0 H VAL A 11 45.902 -0.744 -35.698 1.00 0.00 H new ATOM 0 HA VAL A 11 46.502 1.902 -36.579 1.00 0.00 H new ATOM 0 HB VAL A 11 45.941 -0.692 -38.072 1.00 0.00 H new ATOM 0 HG11 VAL A 11 46.940 0.410 -40.032 1.00 0.00 H new ATOM 0 HG12 VAL A 11 45.447 1.223 -39.505 1.00 0.00 H new ATOM 0 HG13 VAL A 11 47.031 1.936 -39.122 1.00 0.00 H new ATOM 0 HG21 VAL A 11 48.381 -0.738 -38.391 1.00 0.00 H new ATOM 0 HG22 VAL A 11 48.533 0.740 -37.411 1.00 0.00 H new ATOM 0 HG23 VAL A 11 47.939 -0.764 -36.668 1.00 0.00 H new ATOM 151 N TYR A 12 44.020 2.587 -36.626 1.00 0.00 N ATOM 152 CA TYR A 12 42.719 3.152 -36.963 1.00 0.00 C ATOM 153 C TYR A 12 42.712 3.679 -38.394 1.00 0.00 C ATOM 154 O TYR A 12 43.691 3.533 -39.122 1.00 0.00 O ATOM 155 CB TYR A 12 42.369 4.276 -35.990 1.00 0.00 C ATOM 156 CG TYR A 12 41.999 3.787 -34.613 1.00 0.00 C ATOM 157 CD1 TYR A 12 41.875 2.431 -34.345 1.00 0.00 C ATOM 158 CD2 TYR A 12 41.775 4.684 -33.579 1.00 0.00 C ATOM 159 CE1 TYR A 12 41.537 1.980 -33.084 1.00 0.00 C ATOM 160 CE2 TYR A 12 41.437 4.240 -32.313 1.00 0.00 C ATOM 161 CZ TYR A 12 41.320 2.888 -32.072 1.00 0.00 C ATOM 162 OH TYR A 12 40.984 2.444 -30.814 1.00 0.00 O ATOM 0 H TYR A 12 44.514 3.081 -35.883 1.00 0.00 H new ATOM 0 HA TYR A 12 41.971 2.364 -36.883 1.00 0.00 H new ATOM 0 HB2 TYR A 12 43.219 4.954 -35.910 1.00 0.00 H new ATOM 0 HB3 TYR A 12 41.539 4.853 -36.397 1.00 0.00 H new ATOM 0 HD1 TYR A 12 42.046 1.716 -35.136 1.00 0.00 H new ATOM 0 HD2 TYR A 12 41.866 5.744 -33.765 1.00 0.00 H new ATOM 0 HE1 TYR A 12 41.443 0.921 -32.893 1.00 0.00 H new ATOM 0 HE2 TYR A 12 41.266 4.950 -31.517 1.00 0.00 H new ATOM 0 HH TYR A 12 40.867 3.212 -30.217 1.00 0.00 H new ATOM 172 N SER A 13 41.601 4.291 -38.790 1.00 0.00 N ATOM 173 CA SER A 13 41.473 4.834 -40.137 1.00 0.00 C ATOM 174 C SER A 13 40.875 6.237 -40.113 1.00 0.00 C ATOM 175 O SER A 13 40.101 6.581 -39.221 1.00 0.00 O ATOM 176 CB SER A 13 40.612 3.911 -40.999 1.00 0.00 C ATOM 177 OG SER A 13 41.389 2.871 -41.568 1.00 0.00 O ATOM 0 H SER A 13 40.779 4.423 -38.200 1.00 0.00 H new ATOM 0 HA SER A 13 42.471 4.899 -40.569 1.00 0.00 H new ATOM 0 HB2 SER A 13 39.814 3.483 -40.393 1.00 0.00 H new ATOM 0 HB3 SER A 13 40.136 4.488 -41.791 1.00 0.00 H new ATOM 0 HG SER A 13 42.327 2.984 -41.308 1.00 0.00 H new ATOM 183 N VAL A 14 41.244 7.040 -41.105 1.00 0.00 N ATOM 184 CA VAL A 14 40.756 8.408 -41.213 1.00 0.00 C ATOM 185 C VAL A 14 39.251 8.484 -40.967 1.00 0.00 C ATOM 186 O VAL A 14 38.454 8.423 -41.903 1.00 0.00 O ATOM 187 CB VAL A 14 41.071 8.999 -42.602 1.00 0.00 C ATOM 188 CG1 VAL A 14 40.773 7.983 -43.693 1.00 0.00 C ATOM 189 CG2 VAL A 14 40.291 10.286 -42.835 1.00 0.00 C ATOM 0 H VAL A 14 41.884 6.764 -41.850 1.00 0.00 H new ATOM 0 HA VAL A 14 41.269 8.990 -40.448 1.00 0.00 H new ATOM 0 HB VAL A 14 42.134 9.239 -42.637 1.00 0.00 H new ATOM 0 HG11 VAL A 14 41.001 8.417 -44.667 1.00 0.00 H new ATOM 0 HG12 VAL A 14 41.385 7.094 -43.540 1.00 0.00 H new ATOM 0 HG13 VAL A 14 39.719 7.708 -43.656 1.00 0.00 H new ATOM 0 HG21 VAL A 14 40.531 10.683 -43.821 1.00 0.00 H new ATOM 0 HG22 VAL A 14 39.222 10.079 -42.777 1.00 0.00 H new ATOM 0 HG23 VAL A 14 40.561 11.018 -42.074 1.00 0.00 H new ATOM 199 N GLY A 15 38.871 8.626 -39.702 1.00 0.00 N ATOM 200 CA GLY A 15 37.465 8.719 -39.353 1.00 0.00 C ATOM 201 C GLY A 15 36.996 7.575 -38.477 1.00 0.00 C ATOM 202 O GLY A 15 35.858 7.121 -38.597 1.00 0.00 O ATOM 0 H GLY A 15 39.512 8.678 -38.911 1.00 0.00 H new ATOM 0 HA2 GLY A 15 37.286 9.662 -38.836 1.00 0.00 H new ATOM 0 HA3 GLY A 15 36.870 8.738 -40.266 1.00 0.00 H new ATOM 206 N MET A 16 37.867 7.109 -37.588 1.00 0.00 N ATOM 207 CA MET A 16 37.524 6.016 -36.689 1.00 0.00 C ATOM 208 C MET A 16 37.356 6.528 -35.263 1.00 0.00 C ATOM 209 O MET A 16 37.780 5.875 -34.309 1.00 0.00 O ATOM 210 CB MET A 16 38.599 4.929 -36.736 1.00 0.00 C ATOM 211 CG MET A 16 38.239 3.762 -37.640 1.00 0.00 C ATOM 212 SD MET A 16 37.861 2.260 -36.719 1.00 0.00 S ATOM 213 CE MET A 16 39.505 1.595 -36.471 1.00 0.00 C ATOM 0 H MET A 16 38.813 7.471 -37.472 1.00 0.00 H new ATOM 0 HA MET A 16 36.578 5.587 -37.017 1.00 0.00 H new ATOM 0 HB2 MET A 16 39.535 5.369 -37.079 1.00 0.00 H new ATOM 0 HB3 MET A 16 38.773 4.557 -35.726 1.00 0.00 H new ATOM 0 HG2 MET A 16 37.379 4.034 -38.252 1.00 0.00 H new ATOM 0 HG3 MET A 16 39.067 3.567 -38.322 1.00 0.00 H new ATOM 0 HE1 MET A 16 39.546 1.074 -35.515 1.00 0.00 H new ATOM 0 HE2 MET A 16 39.740 0.898 -37.275 1.00 0.00 H new ATOM 0 HE3 MET A 16 40.231 2.408 -36.472 1.00 0.00 H new ATOM 223 N GLN A 17 36.736 7.704 -35.138 1.00 0.00 N ATOM 224 CA GLN A 17 36.496 8.340 -33.841 1.00 0.00 C ATOM 225 C GLN A 17 36.516 7.328 -32.700 1.00 0.00 C ATOM 226 O GLN A 17 35.887 6.274 -32.781 1.00 0.00 O ATOM 227 CB GLN A 17 35.154 9.072 -33.857 1.00 0.00 C ATOM 228 CG GLN A 17 35.268 10.548 -34.199 1.00 0.00 C ATOM 229 CD GLN A 17 34.147 11.374 -33.601 1.00 0.00 C ATOM 230 OE1 GLN A 17 34.385 12.411 -32.982 1.00 0.00 O ATOM 231 NE2 GLN A 17 32.913 10.916 -33.781 1.00 0.00 N ATOM 0 H GLN A 17 36.387 8.241 -35.932 1.00 0.00 H new ATOM 0 HA GLN A 17 37.303 9.053 -33.670 1.00 0.00 H new ATOM 0 HB2 GLN A 17 34.496 8.590 -34.580 1.00 0.00 H new ATOM 0 HB3 GLN A 17 34.683 8.970 -32.880 1.00 0.00 H new ATOM 0 HG2 GLN A 17 36.225 10.927 -33.840 1.00 0.00 H new ATOM 0 HG3 GLN A 17 35.264 10.667 -35.282 1.00 0.00 H new ATOM 0 HE21 GLN A 17 32.761 10.052 -34.301 1.00 0.00 H new ATOM 0 HE22 GLN A 17 32.118 11.429 -33.399 1.00 0.00 H new ATOM 240 N TRP A 18 37.242 7.658 -31.636 1.00 0.00 N ATOM 241 CA TRP A 18 37.341 6.776 -30.479 1.00 0.00 C ATOM 242 C TRP A 18 37.473 7.573 -29.187 1.00 0.00 C ATOM 243 O TRP A 18 37.327 8.795 -29.177 1.00 0.00 O ATOM 244 CB TRP A 18 38.530 5.831 -30.630 1.00 0.00 C ATOM 245 CG TRP A 18 39.857 6.523 -30.571 1.00 0.00 C ATOM 246 CD1 TRP A 18 40.651 6.682 -29.472 1.00 0.00 C ATOM 247 CD2 TRP A 18 40.550 7.141 -31.662 1.00 0.00 C ATOM 248 NE1 TRP A 18 41.795 7.358 -29.813 1.00 0.00 N ATOM 249 CE2 TRP A 18 41.757 7.652 -31.152 1.00 0.00 C ATOM 250 CE3 TRP A 18 40.268 7.310 -33.020 1.00 0.00 C ATOM 251 CZ2 TRP A 18 42.680 8.319 -31.953 1.00 0.00 C ATOM 252 CZ3 TRP A 18 41.183 7.972 -33.813 1.00 0.00 C ATOM 253 CH2 TRP A 18 42.377 8.468 -33.279 1.00 0.00 C ATOM 0 H TRP A 18 37.769 8.527 -31.551 1.00 0.00 H new ATOM 0 HA TRP A 18 36.423 6.191 -30.428 1.00 0.00 H new ATOM 0 HB2 TRP A 18 38.487 5.078 -29.843 1.00 0.00 H new ATOM 0 HB3 TRP A 18 38.446 5.304 -31.581 1.00 0.00 H new ATOM 0 HD1 TRP A 18 40.413 6.328 -28.480 1.00 0.00 H new ATOM 0 HE1 TRP A 18 42.552 7.602 -29.174 1.00 0.00 H new ATOM 0 HE3 TRP A 18 39.350 6.929 -33.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 43.602 8.705 -31.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 40.974 8.109 -34.864 1.00 0.00 H new ATOM 0 HH2 TRP A 18 43.074 8.979 -33.927 1.00 0.00 H new ATOM 264 N LEU A 19 37.751 6.870 -28.096 1.00 0.00 N ATOM 265 CA LEU A 19 37.901 7.503 -26.794 1.00 0.00 C ATOM 266 C LEU A 19 38.994 6.817 -25.986 1.00 0.00 C ATOM 267 O LEU A 19 39.125 5.594 -26.014 1.00 0.00 O ATOM 268 CB LEU A 19 36.578 7.460 -26.026 1.00 0.00 C ATOM 269 CG LEU A 19 36.570 8.229 -24.702 1.00 0.00 C ATOM 270 CD1 LEU A 19 36.167 9.678 -24.928 1.00 0.00 C ATOM 271 CD2 LEU A 19 35.631 7.563 -23.707 1.00 0.00 C ATOM 0 H LEU A 19 37.877 5.858 -28.089 1.00 0.00 H new ATOM 0 HA LEU A 19 38.185 8.543 -26.951 1.00 0.00 H new ATOM 0 HB2 LEU A 19 35.791 7.860 -26.666 1.00 0.00 H new ATOM 0 HB3 LEU A 19 36.326 6.419 -25.825 1.00 0.00 H new ATOM 0 HG LEU A 19 37.578 8.214 -24.289 1.00 0.00 H new ATOM 0 HD11 LEU A 19 36.167 10.208 -23.976 1.00 0.00 H new ATOM 0 HD12 LEU A 19 36.876 10.151 -25.607 1.00 0.00 H new ATOM 0 HD13 LEU A 19 35.168 9.714 -25.363 1.00 0.00 H new ATOM 0 HD21 LEU A 19 35.637 8.122 -22.771 1.00 0.00 H new ATOM 0 HD22 LEU A 19 34.620 7.548 -24.115 1.00 0.00 H new ATOM 0 HD23 LEU A 19 35.963 6.541 -23.522 1.00 0.00 H new ATOM 283 N LYS A 20 39.781 7.612 -25.275 1.00 0.00 N ATOM 284 CA LYS A 20 40.869 7.078 -24.466 1.00 0.00 C ATOM 285 C LYS A 20 40.692 7.434 -22.993 1.00 0.00 C ATOM 286 O LYS A 20 40.112 8.466 -22.658 1.00 0.00 O ATOM 287 CB LYS A 20 42.207 7.611 -24.975 1.00 0.00 C ATOM 288 CG LYS A 20 43.410 7.031 -24.254 1.00 0.00 C ATOM 289 CD LYS A 20 44.699 7.688 -24.717 1.00 0.00 C ATOM 290 CE LYS A 20 45.050 8.889 -23.853 1.00 0.00 C ATOM 291 NZ LYS A 20 46.277 9.582 -24.335 1.00 0.00 N ATOM 0 H LYS A 20 39.687 8.627 -25.241 1.00 0.00 H new ATOM 0 HA LYS A 20 40.854 5.992 -24.554 1.00 0.00 H new ATOM 0 HB2 LYS A 20 42.293 7.393 -26.040 1.00 0.00 H new ATOM 0 HB3 LYS A 20 42.220 8.696 -24.869 1.00 0.00 H new ATOM 0 HG2 LYS A 20 43.294 7.169 -23.179 1.00 0.00 H new ATOM 0 HG3 LYS A 20 43.462 5.957 -24.433 1.00 0.00 H new ATOM 0 HD2 LYS A 20 45.512 6.963 -24.682 1.00 0.00 H new ATOM 0 HD3 LYS A 20 44.596 8.002 -25.756 1.00 0.00 H new ATOM 0 HE2 LYS A 20 44.215 9.590 -23.850 1.00 0.00 H new ATOM 0 HE3 LYS A 20 45.198 8.564 -22.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 46.481 10.395 -23.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 47.080 8.921 -24.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 46.128 9.915 -25.309 1.00 0.00 H new ATOM 379 N GLN A 26 38.986 11.144 -18.488 1.00 0.00 N ATOM 380 CA GLN A 26 38.407 10.732 -19.761 1.00 0.00 C ATOM 381 C GLN A 26 38.803 11.692 -20.877 1.00 0.00 C ATOM 382 O GLN A 26 38.879 12.903 -20.671 1.00 0.00 O ATOM 383 CB GLN A 26 36.883 10.664 -19.652 1.00 0.00 C ATOM 384 CG GLN A 26 36.327 9.253 -19.746 1.00 0.00 C ATOM 385 CD GLN A 26 34.820 9.232 -19.916 1.00 0.00 C ATOM 386 OE1 GLN A 26 34.239 10.137 -20.515 1.00 0.00 O ATOM 387 NE2 GLN A 26 34.180 8.197 -19.388 1.00 0.00 N ATOM 0 HA GLN A 26 38.794 9.742 -20.003 1.00 0.00 H new ATOM 0 HB2 GLN A 26 36.575 11.104 -18.703 1.00 0.00 H new ATOM 0 HB3 GLN A 26 36.443 11.272 -20.443 1.00 0.00 H new ATOM 0 HG2 GLN A 26 36.791 8.738 -20.587 1.00 0.00 H new ATOM 0 HG3 GLN A 26 36.596 8.700 -18.846 1.00 0.00 H new ATOM 0 HE21 GLN A 26 34.702 7.469 -18.900 1.00 0.00 H new ATOM 0 HE22 GLN A 26 33.166 8.129 -19.470 1.00 0.00 H new ATOM 396 N MET A 27 39.052 11.143 -22.061 1.00 0.00 N ATOM 397 CA MET A 27 39.438 11.949 -23.213 1.00 0.00 C ATOM 398 C MET A 27 39.035 11.259 -24.512 1.00 0.00 C ATOM 399 O MET A 27 39.294 10.071 -24.700 1.00 0.00 O ATOM 400 CB MET A 27 40.947 12.204 -23.200 1.00 0.00 C ATOM 401 CG MET A 27 41.428 13.075 -24.349 1.00 0.00 C ATOM 402 SD MET A 27 42.278 12.130 -25.628 1.00 0.00 S ATOM 403 CE MET A 27 43.989 12.490 -25.237 1.00 0.00 C ATOM 0 H MET A 27 38.993 10.142 -22.248 1.00 0.00 H new ATOM 0 HA MET A 27 38.917 12.905 -23.152 1.00 0.00 H new ATOM 0 HB2 MET A 27 41.218 12.679 -22.257 1.00 0.00 H new ATOM 0 HB3 MET A 27 41.469 11.248 -23.237 1.00 0.00 H new ATOM 0 HG2 MET A 27 40.575 13.591 -24.790 1.00 0.00 H new ATOM 0 HG3 MET A 27 42.099 13.842 -23.962 1.00 0.00 H new ATOM 0 HE1 MET A 27 44.640 11.975 -25.943 1.00 0.00 H new ATOM 0 HE2 MET A 27 44.159 13.565 -25.304 1.00 0.00 H new ATOM 0 HE3 MET A 27 44.210 12.150 -24.225 1.00 0.00 H new ATOM 413 N LEU A 28 38.402 12.012 -25.406 1.00 0.00 N ATOM 414 CA LEU A 28 37.966 11.466 -26.688 1.00 0.00 C ATOM 415 C LEU A 28 38.936 11.853 -27.796 1.00 0.00 C ATOM 416 O LEU A 28 39.220 13.033 -28.000 1.00 0.00 O ATOM 417 CB LEU A 28 36.560 11.957 -27.033 1.00 0.00 C ATOM 418 CG LEU A 28 35.961 11.345 -28.300 1.00 0.00 C ATOM 419 CD1 LEU A 28 34.792 10.436 -27.958 1.00 0.00 C ATOM 420 CD2 LEU A 28 35.520 12.436 -29.262 1.00 0.00 C ATOM 0 H LEU A 28 38.180 12.998 -25.268 1.00 0.00 H new ATOM 0 HA LEU A 28 37.948 10.380 -26.602 1.00 0.00 H new ATOM 0 HB2 LEU A 28 35.899 11.741 -26.194 1.00 0.00 H new ATOM 0 HB3 LEU A 28 36.586 13.041 -27.147 1.00 0.00 H new ATOM 0 HG LEU A 28 36.731 10.745 -28.785 1.00 0.00 H new ATOM 0 HD11 LEU A 28 34.381 10.011 -28.874 1.00 0.00 H new ATOM 0 HD12 LEU A 28 35.135 9.632 -27.307 1.00 0.00 H new ATOM 0 HD13 LEU A 28 34.020 11.012 -27.447 1.00 0.00 H new ATOM 0 HD21 LEU A 28 35.096 11.982 -30.158 1.00 0.00 H new ATOM 0 HD22 LEU A 28 34.768 13.062 -28.782 1.00 0.00 H new ATOM 0 HD23 LEU A 28 36.379 13.048 -29.537 1.00 0.00 H new ATOM 432 N CYS A 29 39.444 10.853 -28.506 1.00 0.00 N ATOM 433 CA CYS A 29 40.389 11.090 -29.591 1.00 0.00 C ATOM 434 C CYS A 29 39.740 10.840 -30.948 1.00 0.00 C ATOM 435 O CYS A 29 38.810 10.042 -31.065 1.00 0.00 O ATOM 436 CB CYS A 29 41.613 10.188 -29.428 1.00 0.00 C ATOM 437 SG CYS A 29 42.974 10.934 -28.474 1.00 0.00 S ATOM 0 H CYS A 29 39.218 9.871 -28.350 1.00 0.00 H new ATOM 0 HA CYS A 29 40.700 12.134 -29.546 1.00 0.00 H new ATOM 0 HB2 CYS A 29 41.306 9.264 -28.938 1.00 0.00 H new ATOM 0 HB3 CYS A 29 41.984 9.917 -30.416 1.00 0.00 H new ATOM 442 N THR A 30 40.238 11.526 -31.972 1.00 0.00 N ATOM 443 CA THR A 30 39.707 11.372 -33.323 1.00 0.00 C ATOM 444 C THR A 30 40.766 11.658 -34.376 1.00 0.00 C ATOM 445 O THR A 30 41.509 12.634 -34.275 1.00 0.00 O ATOM 446 CB THR A 30 38.511 12.306 -33.579 1.00 0.00 C ATOM 447 OG1 THR A 30 37.478 12.064 -32.618 1.00 0.00 O ATOM 448 CG2 THR A 30 37.966 12.103 -34.988 1.00 0.00 C ATOM 0 H THR A 30 41.006 12.192 -31.893 1.00 0.00 H new ATOM 0 HA THR A 30 39.381 10.335 -33.400 1.00 0.00 H new ATOM 0 HB THR A 30 38.853 13.336 -33.481 1.00 0.00 H new ATOM 0 HG1 THR A 30 36.723 12.665 -32.790 1.00 0.00 H new ATOM 0 HG21 THR A 30 37.121 12.772 -35.151 1.00 0.00 H new ATOM 0 HG22 THR A 30 38.748 12.322 -35.715 1.00 0.00 H new ATOM 0 HG23 THR A 30 37.639 11.070 -35.106 1.00 0.00 H new ATOM 456 N CYS A 31 40.816 10.813 -35.398 1.00 0.00 N ATOM 457 CA CYS A 31 41.769 10.990 -36.481 1.00 0.00 C ATOM 458 C CYS A 31 41.068 11.544 -37.713 1.00 0.00 C ATOM 459 O CYS A 31 40.263 10.859 -38.345 1.00 0.00 O ATOM 460 CB CYS A 31 42.469 9.674 -36.816 1.00 0.00 C ATOM 461 SG CYS A 31 41.360 8.331 -37.332 1.00 0.00 S ATOM 0 H CYS A 31 40.208 10.000 -35.498 1.00 0.00 H new ATOM 0 HA CYS A 31 42.526 11.703 -36.155 1.00 0.00 H new ATOM 0 HB2 CYS A 31 43.192 9.855 -37.612 1.00 0.00 H new ATOM 0 HB3 CYS A 31 43.032 9.346 -35.942 1.00 0.00 H new ATOM 466 N LEU A 32 41.374 12.790 -38.043 1.00 0.00 N ATOM 467 CA LEU A 32 40.766 13.446 -39.195 1.00 0.00 C ATOM 468 C LEU A 32 41.437 13.006 -40.491 1.00 0.00 C ATOM 469 O LEU A 32 41.052 12.001 -41.086 1.00 0.00 O ATOM 470 CB LEU A 32 40.841 14.971 -39.055 1.00 0.00 C ATOM 471 CG LEU A 32 41.917 15.489 -38.098 1.00 0.00 C ATOM 472 CD1 LEU A 32 42.355 16.888 -38.497 1.00 0.00 C ATOM 473 CD2 LEU A 32 41.409 15.475 -36.664 1.00 0.00 C ATOM 0 H LEU A 32 42.040 13.369 -37.530 1.00 0.00 H new ATOM 0 HA LEU A 32 39.718 13.150 -39.231 1.00 0.00 H new ATOM 0 HB2 LEU A 32 41.018 15.401 -40.041 1.00 0.00 H new ATOM 0 HB3 LEU A 32 39.871 15.336 -38.717 1.00 0.00 H new ATOM 0 HG LEU A 32 42.781 14.828 -38.161 1.00 0.00 H new ATOM 0 HD11 LEU A 32 43.120 17.241 -37.806 1.00 0.00 H new ATOM 0 HD12 LEU A 32 42.761 16.868 -39.508 1.00 0.00 H new ATOM 0 HD13 LEU A 32 41.498 17.561 -38.464 1.00 0.00 H new ATOM 0 HD21 LEU A 32 42.188 15.847 -35.998 1.00 0.00 H new ATOM 0 HD22 LEU A 32 40.529 16.112 -36.584 1.00 0.00 H new ATOM 0 HD23 LEU A 32 41.146 14.456 -36.381 1.00 0.00 H new ATOM 485 N GLY A 33 42.442 13.760 -40.928 1.00 0.00 N ATOM 486 CA GLY A 33 43.138 13.418 -42.155 1.00 0.00 C ATOM 487 C GLY A 33 44.612 13.768 -42.114 1.00 0.00 C ATOM 488 O GLY A 33 45.447 13.021 -42.623 1.00 0.00 O ATOM 0 H GLY A 33 42.785 14.597 -40.457 1.00 0.00 H new ATOM 0 HA2 GLY A 33 43.028 12.350 -42.343 1.00 0.00 H new ATOM 0 HA3 GLY A 33 42.669 13.939 -42.990 1.00 0.00 H new ATOM 492 N ASN A 34 44.933 14.907 -41.512 1.00 0.00 N ATOM 493 CA ASN A 34 46.319 15.352 -41.413 1.00 0.00 C ATOM 494 C ASN A 34 46.942 14.920 -40.088 1.00 0.00 C ATOM 495 O ASN A 34 48.164 14.893 -39.946 1.00 0.00 O ATOM 496 CB ASN A 34 46.402 16.875 -41.566 1.00 0.00 C ATOM 497 CG ASN A 34 46.222 17.609 -40.249 1.00 0.00 C ATOM 498 OD1 ASN A 34 45.193 17.481 -39.591 1.00 0.00 O ATOM 499 ND2 ASN A 34 47.228 18.383 -39.860 1.00 0.00 N ATOM 0 H ASN A 34 44.255 15.538 -41.086 1.00 0.00 H new ATOM 0 HA ASN A 34 46.882 14.884 -42.221 1.00 0.00 H new ATOM 0 HB2 ASN A 34 47.368 17.140 -41.996 1.00 0.00 H new ATOM 0 HB3 ASN A 34 45.638 17.207 -42.269 1.00 0.00 H new ATOM 0 HD21 ASN A 34 47.164 18.900 -38.983 1.00 0.00 H new ATOM 0 HD22 ASN A 34 48.065 18.460 -40.438 1.00 0.00 H new ATOM 506 N GLY A 35 46.095 14.580 -39.122 1.00 0.00 N ATOM 507 CA GLY A 35 46.585 14.155 -37.824 1.00 0.00 C ATOM 508 C GLY A 35 45.491 13.572 -36.954 1.00 0.00 C ATOM 509 O GLY A 35 44.506 13.035 -37.460 1.00 0.00 O ATOM 0 H GLY A 35 45.079 14.591 -39.215 1.00 0.00 H new ATOM 0 HA2 GLY A 35 47.371 13.412 -37.961 1.00 0.00 H new ATOM 0 HA3 GLY A 35 47.037 15.006 -37.313 1.00 0.00 H new ATOM 513 N VAL A 36 45.663 13.677 -35.640 1.00 0.00 N ATOM 514 CA VAL A 36 44.681 13.154 -34.700 1.00 0.00 C ATOM 515 C VAL A 36 44.385 14.170 -33.595 1.00 0.00 C ATOM 516 O VAL A 36 45.291 14.629 -32.899 1.00 0.00 O ATOM 517 CB VAL A 36 45.153 11.806 -34.092 1.00 0.00 C ATOM 518 CG1 VAL A 36 44.794 11.684 -32.614 1.00 0.00 C ATOM 519 CG2 VAL A 36 44.561 10.651 -34.874 1.00 0.00 C ATOM 0 H VAL A 36 46.472 14.119 -35.204 1.00 0.00 H new ATOM 0 HA VAL A 36 43.758 12.972 -35.251 1.00 0.00 H new ATOM 0 HB VAL A 36 46.240 11.775 -34.163 1.00 0.00 H new ATOM 0 HG11 VAL A 36 45.144 10.725 -32.232 1.00 0.00 H new ATOM 0 HG12 VAL A 36 45.269 12.491 -32.056 1.00 0.00 H new ATOM 0 HG13 VAL A 36 43.712 11.748 -32.496 1.00 0.00 H new ATOM 0 HG21 VAL A 36 44.897 9.709 -34.441 1.00 0.00 H new ATOM 0 HG22 VAL A 36 43.473 10.703 -34.832 1.00 0.00 H new ATOM 0 HG23 VAL A 36 44.887 10.710 -35.913 1.00 0.00 H new ATOM 529 N SER A 37 43.109 14.506 -33.442 1.00 0.00 N ATOM 530 CA SER A 37 42.682 15.456 -32.422 1.00 0.00 C ATOM 531 C SER A 37 41.816 14.761 -31.377 1.00 0.00 C ATOM 532 O SER A 37 41.155 13.765 -31.670 1.00 0.00 O ATOM 533 CB SER A 37 41.908 16.611 -33.059 1.00 0.00 C ATOM 534 OG SER A 37 41.382 17.480 -32.070 1.00 0.00 O ATOM 0 H SER A 37 42.351 14.133 -34.013 1.00 0.00 H new ATOM 0 HA SER A 37 43.570 15.856 -31.932 1.00 0.00 H new ATOM 0 HB2 SER A 37 42.565 17.169 -33.726 1.00 0.00 H new ATOM 0 HB3 SER A 37 41.096 16.216 -33.669 1.00 0.00 H new ATOM 0 HG SER A 37 40.893 18.211 -32.503 1.00 0.00 H new ATOM 540 N CYS A 38 41.826 15.287 -30.158 1.00 0.00 N ATOM 541 CA CYS A 38 41.042 14.705 -29.076 1.00 0.00 C ATOM 542 C CYS A 38 40.453 15.789 -28.180 1.00 0.00 C ATOM 543 O CYS A 38 40.717 16.977 -28.365 1.00 0.00 O ATOM 544 CB CYS A 38 41.913 13.761 -28.247 1.00 0.00 C ATOM 545 SG CYS A 38 43.119 12.812 -29.227 1.00 0.00 S ATOM 0 H CYS A 38 42.366 16.112 -29.895 1.00 0.00 H new ATOM 0 HA CYS A 38 40.219 14.143 -29.518 1.00 0.00 H new ATOM 0 HB2 CYS A 38 42.448 14.342 -27.496 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.268 13.065 -27.711 1.00 0.00 H new ATOM 550 N GLN A 39 39.656 15.367 -27.203 1.00 0.00 N ATOM 551 CA GLN A 39 39.029 16.296 -26.271 1.00 0.00 C ATOM 552 C GLN A 39 39.325 15.896 -24.830 1.00 0.00 C ATOM 553 O GLN A 39 38.688 14.997 -24.281 1.00 0.00 O ATOM 554 CB GLN A 39 37.518 16.341 -26.502 1.00 0.00 C ATOM 555 CG GLN A 39 37.067 17.515 -27.356 1.00 0.00 C ATOM 556 CD GLN A 39 37.596 18.841 -26.847 1.00 0.00 C ATOM 557 OE1 GLN A 39 37.786 18.940 -25.536 1.00 0.00 O flip ATOM 558 NE2 GLN A 39 37.832 19.767 -27.623 1.00 0.00 N flip ATOM 0 H GLN A 39 39.429 14.386 -27.037 1.00 0.00 H new ATOM 0 HA GLN A 39 39.444 17.288 -26.448 1.00 0.00 H new ATOM 0 HB2 GLN A 39 37.204 15.413 -26.980 1.00 0.00 H new ATOM 0 HB3 GLN A 39 37.013 16.389 -25.537 1.00 0.00 H new ATOM 0 HG2 GLN A 39 37.402 17.364 -28.382 1.00 0.00 H new ATOM 0 HG3 GLN A 39 35.978 17.547 -27.378 1.00 0.00 H new ATOM 0 HE21 GLN A 39 37.672 19.648 -28.623 1.00 0.00 H new ATOM 0 HE22 GLN A 39 38.188 20.654 -27.266 1.00 0.00 H new ATOM 636 N GLN A 45 29.434 23.728 -22.588 1.00 0.00 N ATOM 637 CA GLN A 45 28.914 24.974 -22.038 1.00 0.00 C ATOM 638 C GLN A 45 27.839 25.566 -22.942 1.00 0.00 C ATOM 639 O GLN A 45 27.942 26.714 -23.377 1.00 0.00 O ATOM 640 CB GLN A 45 30.048 25.982 -21.846 1.00 0.00 C ATOM 641 CG GLN A 45 31.409 25.335 -21.643 1.00 0.00 C ATOM 642 CD GLN A 45 32.463 26.324 -21.185 1.00 0.00 C ATOM 643 OE1 GLN A 45 32.427 27.500 -21.547 1.00 0.00 O ATOM 644 NE2 GLN A 45 33.409 25.850 -20.384 1.00 0.00 N ATOM 0 HA GLN A 45 28.464 24.753 -21.070 1.00 0.00 H new ATOM 0 HB2 GLN A 45 30.092 26.637 -22.716 1.00 0.00 H new ATOM 0 HB3 GLN A 45 29.822 26.611 -20.985 1.00 0.00 H new ATOM 0 HG2 GLN A 45 31.321 24.536 -20.906 1.00 0.00 H new ATOM 0 HG3 GLN A 45 31.731 24.874 -22.577 1.00 0.00 H new ATOM 0 HE21 GLN A 45 33.400 24.868 -20.109 1.00 0.00 H new ATOM 0 HE22 GLN A 45 34.145 26.468 -20.043 1.00 0.00 H new ATOM 653 N THR A 46 26.802 24.781 -23.217 1.00 0.00 N ATOM 654 CA THR A 46 25.707 25.236 -24.063 1.00 0.00 C ATOM 655 C THR A 46 25.140 26.554 -23.550 1.00 0.00 C ATOM 656 O THR A 46 24.889 26.709 -22.355 1.00 0.00 O ATOM 657 CB THR A 46 24.576 24.193 -24.132 1.00 0.00 C ATOM 658 OG1 THR A 46 23.920 24.095 -22.863 1.00 0.00 O ATOM 659 CG2 THR A 46 25.123 22.831 -24.533 1.00 0.00 C ATOM 0 H THR A 46 26.698 23.829 -22.867 1.00 0.00 H new ATOM 0 HA THR A 46 26.114 25.379 -25.064 1.00 0.00 H new ATOM 0 HB THR A 46 23.858 24.516 -24.886 1.00 0.00 H new ATOM 0 HG1 THR A 46 23.574 23.186 -22.743 1.00 0.00 H new ATOM 0 HG21 THR A 46 24.307 22.109 -24.576 1.00 0.00 H new ATOM 0 HG22 THR A 46 25.596 22.903 -25.513 1.00 0.00 H new ATOM 0 HG23 THR A 46 25.859 22.504 -23.798 1.00 0.00 H new ATOM 667 N TYR A 47 24.945 27.505 -24.457 1.00 0.00 N ATOM 668 CA TYR A 47 24.414 28.811 -24.085 1.00 0.00 C ATOM 669 C TYR A 47 23.079 29.083 -24.771 1.00 0.00 C ATOM 670 O TYR A 47 22.207 29.746 -24.207 1.00 0.00 O ATOM 671 CB TYR A 47 25.414 29.910 -24.442 1.00 0.00 C ATOM 672 CG TYR A 47 26.232 29.612 -25.678 1.00 0.00 C ATOM 673 CD1 TYR A 47 25.650 29.632 -26.938 1.00 0.00 C ATOM 674 CD2 TYR A 47 27.585 29.313 -25.583 1.00 0.00 C ATOM 675 CE1 TYR A 47 26.394 29.361 -28.072 1.00 0.00 C ATOM 676 CE2 TYR A 47 28.336 29.040 -26.712 1.00 0.00 C ATOM 677 CZ TYR A 47 27.735 29.067 -27.953 1.00 0.00 C ATOM 678 OH TYR A 47 28.478 28.797 -29.080 1.00 0.00 O ATOM 0 H TYR A 47 25.146 27.397 -25.451 1.00 0.00 H new ATOM 0 HA TYR A 47 24.249 28.809 -23.008 1.00 0.00 H new ATOM 0 HB2 TYR A 47 24.874 30.845 -24.592 1.00 0.00 H new ATOM 0 HB3 TYR A 47 26.088 30.063 -23.599 1.00 0.00 H new ATOM 0 HD1 TYR A 47 24.599 29.863 -27.034 1.00 0.00 H new ATOM 0 HD2 TYR A 47 28.058 29.293 -24.612 1.00 0.00 H new ATOM 0 HE1 TYR A 47 25.927 29.380 -29.045 1.00 0.00 H new ATOM 0 HE2 TYR A 47 29.387 28.807 -26.622 1.00 0.00 H new ATOM 0 HH TYR A 47 29.405 28.610 -28.824 1.00 0.00 H new ATOM 688 N GLY A 48 22.923 28.573 -25.987 1.00 0.00 N ATOM 689 CA GLY A 48 21.690 28.781 -26.720 1.00 0.00 C ATOM 690 C GLY A 48 21.548 27.849 -27.907 1.00 0.00 C ATOM 691 O GLY A 48 21.199 26.680 -27.748 1.00 0.00 O ATOM 0 H GLY A 48 23.627 28.021 -26.477 1.00 0.00 H new ATOM 0 HA2 GLY A 48 20.844 28.637 -26.048 1.00 0.00 H new ATOM 0 HA3 GLY A 48 21.649 29.813 -27.067 1.00 0.00 H new ATOM 695 N GLY A 49 21.814 28.370 -29.101 1.00 0.00 N ATOM 696 CA GLY A 49 21.702 27.563 -30.301 1.00 0.00 C ATOM 697 C GLY A 49 20.264 27.410 -30.755 1.00 0.00 C ATOM 698 O GLY A 49 19.508 28.381 -30.778 1.00 0.00 O ATOM 0 H GLY A 49 22.105 29.335 -29.258 1.00 0.00 H new ATOM 0 HA2 GLY A 49 22.287 28.019 -31.100 1.00 0.00 H new ATOM 0 HA3 GLY A 49 22.130 26.578 -30.116 1.00 0.00 H new ATOM 702 N ASN A 50 19.883 26.188 -31.109 1.00 0.00 N ATOM 703 CA ASN A 50 18.523 25.914 -31.556 1.00 0.00 C ATOM 704 C ASN A 50 17.629 25.537 -30.378 1.00 0.00 C ATOM 705 O ASN A 50 16.427 25.328 -30.541 1.00 0.00 O ATOM 706 CB ASN A 50 18.519 24.790 -32.595 1.00 0.00 C ATOM 707 CG ASN A 50 17.441 24.977 -33.645 1.00 0.00 C ATOM 708 OD1 ASN A 50 16.277 24.645 -33.423 1.00 0.00 O ATOM 709 ND2 ASN A 50 17.825 25.511 -34.800 1.00 0.00 N ATOM 0 H ASN A 50 20.496 25.373 -31.095 1.00 0.00 H new ATOM 0 HA ASN A 50 18.129 26.822 -32.013 1.00 0.00 H new ATOM 0 HB2 ASN A 50 19.493 24.746 -33.082 1.00 0.00 H new ATOM 0 HB3 ASN A 50 18.371 23.834 -32.092 1.00 0.00 H new ATOM 0 HD21 ASN A 50 17.144 25.660 -35.545 1.00 0.00 H new ATOM 0 HD22 ASN A 50 18.801 25.772 -34.942 1.00 0.00 H new ATOM 716 N SER A 51 18.223 25.453 -29.191 1.00 0.00 N ATOM 717 CA SER A 51 17.480 25.100 -27.986 1.00 0.00 C ATOM 718 C SER A 51 17.462 26.259 -26.996 1.00 0.00 C ATOM 719 O SER A 51 16.523 27.055 -26.972 1.00 0.00 O ATOM 720 CB SER A 51 18.091 23.862 -27.330 1.00 0.00 C ATOM 721 OG SER A 51 17.282 22.719 -27.542 1.00 0.00 O ATOM 0 H SER A 51 19.217 25.625 -29.038 1.00 0.00 H new ATOM 0 HA SER A 51 16.452 24.880 -28.275 1.00 0.00 H new ATOM 0 HB2 SER A 51 19.087 23.686 -27.736 1.00 0.00 H new ATOM 0 HB3 SER A 51 18.209 24.034 -26.260 1.00 0.00 H new ATOM 0 HG SER A 51 17.385 22.101 -26.788 1.00 0.00 H new ATOM 727 N ASN A 52 18.506 26.347 -26.179 1.00 0.00 N ATOM 728 CA ASN A 52 18.612 27.407 -25.183 1.00 0.00 C ATOM 729 C ASN A 52 19.839 27.199 -24.300 1.00 0.00 C ATOM 730 O ASN A 52 20.441 28.160 -23.821 1.00 0.00 O ATOM 731 CB ASN A 52 17.350 27.451 -24.320 1.00 0.00 C ATOM 732 CG ASN A 52 16.969 28.865 -23.923 1.00 0.00 C ATOM 733 OD1 ASN A 52 17.829 29.729 -23.759 1.00 0.00 O ATOM 734 ND2 ASN A 52 15.672 29.106 -23.766 1.00 0.00 N ATOM 0 H ASN A 52 19.292 25.696 -26.187 1.00 0.00 H new ATOM 0 HA ASN A 52 18.719 28.357 -25.707 1.00 0.00 H new ATOM 0 HB2 ASN A 52 16.524 26.995 -24.866 1.00 0.00 H new ATOM 0 HB3 ASN A 52 17.507 26.854 -23.422 1.00 0.00 H new ATOM 0 HD21 ASN A 52 15.355 30.038 -23.499 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.993 28.359 -23.912 1.00 0.00 H new ATOM 741 N GLY A 53 20.203 25.938 -24.089 1.00 0.00 N ATOM 742 CA GLY A 53 21.356 25.626 -23.265 1.00 0.00 C ATOM 743 C GLY A 53 21.060 24.550 -22.237 1.00 0.00 C ATOM 744 O GLY A 53 21.170 24.787 -21.034 1.00 0.00 O ATOM 0 H GLY A 53 19.720 25.127 -24.474 1.00 0.00 H new ATOM 0 HA2 GLY A 53 22.177 25.299 -23.903 1.00 0.00 H new ATOM 0 HA3 GLY A 53 21.690 26.530 -22.755 1.00 0.00 H new ATOM 748 N GLU A 54 20.685 23.367 -22.712 1.00 0.00 N ATOM 749 CA GLU A 54 20.372 22.253 -21.825 1.00 0.00 C ATOM 750 C GLU A 54 21.442 21.166 -21.922 1.00 0.00 C ATOM 751 O GLU A 54 22.246 21.153 -22.855 1.00 0.00 O ATOM 752 CB GLU A 54 18.982 21.686 -22.157 1.00 0.00 C ATOM 753 CG GLU A 54 18.998 20.335 -22.861 1.00 0.00 C ATOM 754 CD GLU A 54 17.609 19.751 -23.028 1.00 0.00 C ATOM 755 OE1 GLU A 54 16.640 20.534 -23.105 1.00 0.00 O ATOM 756 OE2 GLU A 54 17.491 18.508 -23.082 1.00 0.00 O ATOM 0 H GLU A 54 20.591 23.155 -23.705 1.00 0.00 H new ATOM 0 HA GLU A 54 20.360 22.618 -20.798 1.00 0.00 H new ATOM 0 HB2 GLU A 54 18.412 21.592 -21.232 1.00 0.00 H new ATOM 0 HB3 GLU A 54 18.453 22.402 -22.786 1.00 0.00 H new ATOM 0 HG2 GLU A 54 19.463 20.445 -23.841 1.00 0.00 H new ATOM 0 HG3 GLU A 54 19.615 19.640 -22.292 1.00 0.00 H new ATOM 763 N PRO A 55 21.464 20.241 -20.953 1.00 0.00 N ATOM 764 CA PRO A 55 22.436 19.145 -20.925 1.00 0.00 C ATOM 765 C PRO A 55 22.333 18.254 -22.158 1.00 0.00 C ATOM 766 O PRO A 55 21.387 17.481 -22.300 1.00 0.00 O ATOM 767 CB PRO A 55 22.064 18.355 -19.664 1.00 0.00 C ATOM 768 CG PRO A 55 21.257 19.298 -18.837 1.00 0.00 C ATOM 769 CD PRO A 55 20.542 20.191 -19.809 1.00 0.00 C ATOM 0 HA PRO A 55 23.461 19.515 -20.919 1.00 0.00 H new ATOM 0 HB2 PRO A 55 21.492 17.461 -19.913 1.00 0.00 H new ATOM 0 HB3 PRO A 55 22.954 18.025 -19.129 1.00 0.00 H new ATOM 0 HG2 PRO A 55 20.548 18.758 -18.209 1.00 0.00 H new ATOM 0 HG3 PRO A 55 21.896 19.878 -18.171 1.00 0.00 H new ATOM 0 HD2 PRO A 55 19.571 19.785 -20.091 1.00 0.00 H new ATOM 0 HD3 PRO A 55 20.364 21.182 -19.391 1.00 0.00 H new ATOM 777 N CYS A 56 23.314 18.368 -23.050 1.00 0.00 N ATOM 778 CA CYS A 56 23.330 17.572 -24.270 1.00 0.00 C ATOM 779 C CYS A 56 22.895 16.138 -23.988 1.00 0.00 C ATOM 780 O CYS A 56 22.823 15.718 -22.833 1.00 0.00 O ATOM 781 CB CYS A 56 24.726 17.586 -24.895 1.00 0.00 C ATOM 782 SG CYS A 56 25.464 19.247 -25.028 1.00 0.00 S ATOM 0 H CYS A 56 24.106 19.003 -22.949 1.00 0.00 H new ATOM 0 HA CYS A 56 22.624 18.013 -24.973 1.00 0.00 H new ATOM 0 HB2 CYS A 56 25.385 16.954 -24.300 1.00 0.00 H new ATOM 0 HB3 CYS A 56 24.672 17.143 -25.890 1.00 0.00 H new ATOM 787 N VAL A 57 22.599 15.392 -25.047 1.00 0.00 N ATOM 788 CA VAL A 57 22.164 14.007 -24.908 1.00 0.00 C ATOM 789 C VAL A 57 23.074 13.057 -25.681 1.00 0.00 C ATOM 790 O VAL A 57 22.658 12.450 -26.668 1.00 0.00 O ATOM 791 CB VAL A 57 20.717 13.822 -25.400 1.00 0.00 C ATOM 792 CG1 VAL A 57 20.637 14.014 -26.906 1.00 0.00 C ATOM 793 CG2 VAL A 57 20.187 12.453 -25.002 1.00 0.00 C ATOM 0 H VAL A 57 22.652 15.723 -26.010 1.00 0.00 H new ATOM 0 HA VAL A 57 22.216 13.768 -23.846 1.00 0.00 H new ATOM 0 HB VAL A 57 20.093 14.579 -24.926 1.00 0.00 H new ATOM 0 HG11 VAL A 57 19.607 13.879 -27.236 1.00 0.00 H new ATOM 0 HG12 VAL A 57 20.972 15.019 -27.163 1.00 0.00 H new ATOM 0 HG13 VAL A 57 21.275 13.281 -27.401 1.00 0.00 H new ATOM 0 HG21 VAL A 57 19.163 12.341 -25.359 1.00 0.00 H new ATOM 0 HG22 VAL A 57 20.812 11.678 -25.445 1.00 0.00 H new ATOM 0 HG23 VAL A 57 20.205 12.357 -23.916 1.00 0.00 H new ATOM 803 N LEU A 58 24.313 12.926 -25.224 1.00 0.00 N ATOM 804 CA LEU A 58 25.274 12.042 -25.874 1.00 0.00 C ATOM 805 C LEU A 58 25.501 10.786 -25.037 1.00 0.00 C ATOM 806 O LEU A 58 25.135 10.740 -23.863 1.00 0.00 O ATOM 807 CB LEU A 58 26.607 12.763 -26.112 1.00 0.00 C ATOM 808 CG LEU A 58 26.831 14.036 -25.289 1.00 0.00 C ATOM 809 CD1 LEU A 58 25.787 15.089 -25.624 1.00 0.00 C ATOM 810 CD2 LEU A 58 26.817 13.719 -23.801 1.00 0.00 C ATOM 0 H LEU A 58 24.676 13.419 -24.408 1.00 0.00 H new ATOM 0 HA LEU A 58 24.861 11.751 -26.840 1.00 0.00 H new ATOM 0 HB2 LEU A 58 27.418 12.067 -25.899 1.00 0.00 H new ATOM 0 HB3 LEU A 58 26.677 13.019 -27.169 1.00 0.00 H new ATOM 0 HG LEU A 58 27.811 14.439 -25.546 1.00 0.00 H new ATOM 0 HD11 LEU A 58 25.967 15.983 -25.027 1.00 0.00 H new ATOM 0 HD12 LEU A 58 25.851 15.341 -26.683 1.00 0.00 H new ATOM 0 HD13 LEU A 58 24.793 14.699 -25.403 1.00 0.00 H new ATOM 0 HD21 LEU A 58 26.978 14.635 -23.232 1.00 0.00 H new ATOM 0 HD22 LEU A 58 25.853 13.288 -23.530 1.00 0.00 H new ATOM 0 HD23 LEU A 58 27.610 13.007 -23.573 1.00 0.00 H new ATOM 822 N PRO A 59 26.105 9.747 -25.635 1.00 0.00 N ATOM 823 CA PRO A 59 26.550 9.776 -27.033 1.00 0.00 C ATOM 824 C PRO A 59 25.391 9.818 -28.020 1.00 0.00 C ATOM 825 O PRO A 59 24.479 8.993 -27.956 1.00 0.00 O ATOM 826 CB PRO A 59 27.318 8.461 -27.195 1.00 0.00 C ATOM 827 CG PRO A 59 26.785 7.566 -26.130 1.00 0.00 C ATOM 828 CD PRO A 59 26.405 8.460 -24.984 1.00 0.00 C ATOM 0 HA PRO A 59 27.140 10.668 -27.242 1.00 0.00 H new ATOM 0 HB2 PRO A 59 27.161 8.032 -28.185 1.00 0.00 H new ATOM 0 HB3 PRO A 59 28.391 8.615 -27.080 1.00 0.00 H new ATOM 0 HG2 PRO A 59 25.922 7.005 -26.489 1.00 0.00 H new ATOM 0 HG3 PRO A 59 27.535 6.837 -25.823 1.00 0.00 H new ATOM 0 HD2 PRO A 59 25.541 8.073 -24.443 1.00 0.00 H new ATOM 0 HD3 PRO A 59 27.217 8.555 -24.263 1.00 0.00 H new ATOM 836 N PHE A 60 25.439 10.770 -28.947 1.00 0.00 N ATOM 837 CA PHE A 60 24.396 10.892 -29.959 1.00 0.00 C ATOM 838 C PHE A 60 24.922 10.419 -31.307 1.00 0.00 C ATOM 839 O PHE A 60 26.111 10.147 -31.454 1.00 0.00 O ATOM 840 CB PHE A 60 23.903 12.334 -30.065 1.00 0.00 C ATOM 841 CG PHE A 60 25.010 13.343 -30.154 1.00 0.00 C ATOM 842 CD1 PHE A 60 25.620 13.615 -31.368 1.00 0.00 C ATOM 843 CD2 PHE A 60 25.436 14.022 -29.026 1.00 0.00 C ATOM 844 CE1 PHE A 60 26.636 14.545 -31.454 1.00 0.00 C ATOM 845 CE2 PHE A 60 26.452 14.954 -29.104 1.00 0.00 C ATOM 846 CZ PHE A 60 27.052 15.216 -30.320 1.00 0.00 C ATOM 0 H PHE A 60 26.184 11.464 -29.018 1.00 0.00 H new ATOM 0 HA PHE A 60 23.555 10.266 -29.662 1.00 0.00 H new ATOM 0 HB2 PHE A 60 23.266 12.428 -30.945 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.284 12.562 -29.197 1.00 0.00 H new ATOM 0 HD1 PHE A 60 25.297 13.093 -32.257 1.00 0.00 H new ATOM 0 HD2 PHE A 60 24.968 13.821 -28.074 1.00 0.00 H new ATOM 0 HE1 PHE A 60 27.105 14.748 -32.406 1.00 0.00 H new ATOM 0 HE2 PHE A 60 26.777 15.477 -28.216 1.00 0.00 H new ATOM 0 HZ PHE A 60 27.846 15.945 -30.385 1.00 0.00 H new ATOM 856 N THR A 61 24.036 10.319 -32.286 1.00 0.00 N ATOM 857 CA THR A 61 24.433 9.869 -33.614 1.00 0.00 C ATOM 858 C THR A 61 24.084 10.898 -34.680 1.00 0.00 C ATOM 859 O THR A 61 22.933 11.316 -34.803 1.00 0.00 O ATOM 860 CB THR A 61 23.771 8.527 -33.975 1.00 0.00 C ATOM 861 OG1 THR A 61 23.072 8.004 -32.838 1.00 0.00 O ATOM 862 CG2 THR A 61 24.809 7.519 -34.446 1.00 0.00 C ATOM 0 H THR A 61 23.045 10.541 -32.189 1.00 0.00 H new ATOM 0 HA THR A 61 25.515 9.738 -33.587 1.00 0.00 H new ATOM 0 HB THR A 61 23.065 8.703 -34.787 1.00 0.00 H new ATOM 0 HG1 THR A 61 22.652 7.151 -33.076 1.00 0.00 H new ATOM 0 HG21 THR A 61 24.317 6.579 -34.695 1.00 0.00 H new ATOM 0 HG22 THR A 61 25.319 7.907 -35.328 1.00 0.00 H new ATOM 0 HG23 THR A 61 25.537 7.348 -33.653 1.00 0.00 H new ATOM 870 N TYR A 62 25.087 11.296 -35.454 1.00 0.00 N ATOM 871 CA TYR A 62 24.886 12.273 -36.518 1.00 0.00 C ATOM 872 C TYR A 62 25.688 11.904 -37.761 1.00 0.00 C ATOM 873 O TYR A 62 26.894 11.676 -37.690 1.00 0.00 O ATOM 874 CB TYR A 62 25.282 13.672 -36.048 1.00 0.00 C ATOM 875 CG TYR A 62 25.358 14.676 -37.175 1.00 0.00 C ATOM 876 CD1 TYR A 62 24.208 15.109 -37.822 1.00 0.00 C ATOM 877 CD2 TYR A 62 26.580 15.183 -37.598 1.00 0.00 C ATOM 878 CE1 TYR A 62 24.272 16.019 -38.859 1.00 0.00 C ATOM 879 CE2 TYR A 62 26.653 16.096 -38.634 1.00 0.00 C ATOM 880 CZ TYR A 62 25.496 16.509 -39.261 1.00 0.00 C ATOM 881 OH TYR A 62 25.564 17.415 -40.295 1.00 0.00 O ATOM 0 H TYR A 62 26.045 10.958 -35.365 1.00 0.00 H new ATOM 0 HA TYR A 62 23.826 12.269 -36.773 1.00 0.00 H new ATOM 0 HB2 TYR A 62 24.560 14.018 -35.309 1.00 0.00 H new ATOM 0 HB3 TYR A 62 26.250 13.621 -35.549 1.00 0.00 H new ATOM 0 HD1 TYR A 62 23.247 14.728 -37.509 1.00 0.00 H new ATOM 0 HD2 TYR A 62 27.487 14.859 -37.110 1.00 0.00 H new ATOM 0 HE1 TYR A 62 23.368 16.345 -39.352 1.00 0.00 H new ATOM 0 HE2 TYR A 62 27.610 16.483 -38.950 1.00 0.00 H new ATOM 0 HH TYR A 62 24.744 17.951 -40.315 1.00 0.00 H new ATOM 891 N ASN A 63 25.008 11.854 -38.903 1.00 0.00 N ATOM 892 CA ASN A 63 25.656 11.519 -40.164 1.00 0.00 C ATOM 893 C ASN A 63 26.085 10.055 -40.190 1.00 0.00 C ATOM 894 O ASN A 63 26.741 9.609 -41.132 1.00 0.00 O ATOM 895 CB ASN A 63 26.867 12.423 -40.399 1.00 0.00 C ATOM 896 CG ASN A 63 27.000 12.842 -41.850 1.00 0.00 C ATOM 897 OD1 ASN A 63 26.457 12.196 -42.747 1.00 0.00 O ATOM 898 ND2 ASN A 63 27.724 13.929 -42.088 1.00 0.00 N ATOM 0 H ASN A 63 24.008 12.041 -38.979 1.00 0.00 H new ATOM 0 HA ASN A 63 24.933 11.678 -40.964 1.00 0.00 H new ATOM 0 HB2 ASN A 63 26.781 13.311 -39.773 1.00 0.00 H new ATOM 0 HB3 ASN A 63 27.773 11.901 -40.089 1.00 0.00 H new ATOM 0 HD21 ASN A 63 27.848 14.260 -43.045 1.00 0.00 H new ATOM 0 HD22 ASN A 63 28.156 14.434 -41.314 1.00 0.00 H new ATOM 905 N GLY A 64 25.709 9.311 -39.156 1.00 0.00 N ATOM 906 CA GLY A 64 26.061 7.905 -39.092 1.00 0.00 C ATOM 907 C GLY A 64 27.117 7.606 -38.043 1.00 0.00 C ATOM 908 O GLY A 64 27.402 6.444 -37.760 1.00 0.00 O ATOM 0 H GLY A 64 25.168 9.655 -38.363 1.00 0.00 H new ATOM 0 HA2 GLY A 64 25.166 7.321 -38.876 1.00 0.00 H new ATOM 0 HA3 GLY A 64 26.424 7.582 -40.068 1.00 0.00 H new ATOM 912 N ARG A 65 27.698 8.653 -37.465 1.00 0.00 N ATOM 913 CA ARG A 65 28.726 8.480 -36.445 1.00 0.00 C ATOM 914 C ARG A 65 28.175 8.790 -35.058 1.00 0.00 C ATOM 915 O ARG A 65 26.961 8.864 -34.863 1.00 0.00 O ATOM 916 CB ARG A 65 29.937 9.367 -36.741 1.00 0.00 C ATOM 917 CG ARG A 65 29.661 10.852 -36.593 1.00 0.00 C ATOM 918 CD ARG A 65 30.372 11.657 -37.667 1.00 0.00 C ATOM 919 NE ARG A 65 30.097 11.133 -38.998 1.00 0.00 N ATOM 920 CZ ARG A 65 30.806 11.450 -40.078 1.00 0.00 C ATOM 921 NH1 ARG A 65 31.834 12.281 -39.978 1.00 0.00 N ATOM 922 NH2 ARG A 65 30.491 10.930 -41.257 1.00 0.00 N ATOM 0 H ARG A 65 27.476 9.624 -37.684 1.00 0.00 H new ATOM 0 HA ARG A 65 29.044 7.438 -36.465 1.00 0.00 H new ATOM 0 HB2 ARG A 65 30.751 9.090 -36.071 1.00 0.00 H new ATOM 0 HB3 ARG A 65 30.280 9.170 -37.757 1.00 0.00 H new ATOM 0 HG2 ARG A 65 28.588 11.032 -36.652 1.00 0.00 H new ATOM 0 HG3 ARG A 65 29.987 11.188 -35.609 1.00 0.00 H new ATOM 0 HD2 ARG A 65 30.055 12.698 -37.612 1.00 0.00 H new ATOM 0 HD3 ARG A 65 31.446 11.641 -37.484 1.00 0.00 H new ATOM 0 HE ARG A 65 29.316 10.486 -39.108 1.00 0.00 H new ATOM 0 HH11 ARG A 65 32.082 12.678 -39.072 1.00 0.00 H new ATOM 0 HH12 ARG A 65 32.377 12.523 -40.807 1.00 0.00 H new ATOM 0 HH21 ARG A 65 29.704 10.286 -41.337 1.00 0.00 H new ATOM 0 HH22 ARG A 65 31.036 11.174 -42.084 1.00 0.00 H new ATOM 936 N THR A 66 29.073 8.967 -34.095 1.00 0.00 N ATOM 937 CA THR A 66 28.673 9.261 -32.724 1.00 0.00 C ATOM 938 C THR A 66 29.638 10.238 -32.059 1.00 0.00 C ATOM 939 O THR A 66 30.805 10.331 -32.439 1.00 0.00 O ATOM 940 CB THR A 66 28.597 7.975 -31.879 1.00 0.00 C ATOM 941 OG1 THR A 66 27.647 7.069 -32.455 1.00 0.00 O ATOM 942 CG2 THR A 66 28.199 8.293 -30.444 1.00 0.00 C ATOM 0 H THR A 66 30.081 8.912 -34.238 1.00 0.00 H new ATOM 0 HA THR A 66 27.685 9.718 -32.775 1.00 0.00 H new ATOM 0 HB THR A 66 29.583 7.511 -31.870 1.00 0.00 H new ATOM 0 HG1 THR A 66 27.604 6.253 -31.914 1.00 0.00 H new ATOM 0 HG21 THR A 66 28.152 7.370 -29.866 1.00 0.00 H new ATOM 0 HG22 THR A 66 28.938 8.961 -30.001 1.00 0.00 H new ATOM 0 HG23 THR A 66 27.222 8.776 -30.436 1.00 0.00 H new ATOM 950 N PHE A 67 29.140 10.965 -31.063 1.00 0.00 N ATOM 951 CA PHE A 67 29.954 11.938 -30.342 1.00 0.00 C ATOM 952 C PHE A 67 29.614 11.938 -28.853 1.00 0.00 C ATOM 953 O PHE A 67 28.457 11.745 -28.471 1.00 0.00 O ATOM 954 CB PHE A 67 29.747 13.339 -30.921 1.00 0.00 C ATOM 955 CG PHE A 67 29.537 13.358 -32.409 1.00 0.00 C ATOM 956 CD1 PHE A 67 28.471 12.681 -32.986 1.00 0.00 C ATOM 957 CD2 PHE A 67 30.405 14.056 -33.232 1.00 0.00 C ATOM 958 CE1 PHE A 67 28.279 12.702 -34.354 1.00 0.00 C ATOM 959 CE2 PHE A 67 30.217 14.080 -34.601 1.00 0.00 C ATOM 960 CZ PHE A 67 29.153 13.402 -35.162 1.00 0.00 C ATOM 0 H PHE A 67 28.176 10.899 -30.737 1.00 0.00 H new ATOM 0 HA PHE A 67 31.000 11.654 -30.459 1.00 0.00 H new ATOM 0 HB2 PHE A 67 28.885 13.798 -30.436 1.00 0.00 H new ATOM 0 HB3 PHE A 67 30.614 13.953 -30.678 1.00 0.00 H new ATOM 0 HD1 PHE A 67 27.784 12.132 -32.359 1.00 0.00 H new ATOM 0 HD2 PHE A 67 31.239 14.588 -32.799 1.00 0.00 H new ATOM 0 HE1 PHE A 67 27.446 12.171 -34.791 1.00 0.00 H new ATOM 0 HE2 PHE A 67 30.901 14.628 -35.231 1.00 0.00 H new ATOM 0 HZ PHE A 67 29.005 13.419 -36.232 1.00 0.00 H new ATOM 970 N TYR A 68 30.630 12.152 -28.017 1.00 0.00 N ATOM 971 CA TYR A 68 30.443 12.174 -26.569 1.00 0.00 C ATOM 972 C TYR A 68 30.302 13.600 -26.047 1.00 0.00 C ATOM 973 O TYR A 68 30.271 13.823 -24.837 1.00 0.00 O ATOM 974 CB TYR A 68 31.619 11.486 -25.873 1.00 0.00 C ATOM 975 CG TYR A 68 31.715 10.009 -26.173 1.00 0.00 C ATOM 976 CD1 TYR A 68 30.593 9.296 -26.564 1.00 0.00 C ATOM 977 CD2 TYR A 68 32.922 9.331 -26.069 1.00 0.00 C ATOM 978 CE1 TYR A 68 30.666 7.945 -26.845 1.00 0.00 C ATOM 979 CE2 TYR A 68 33.007 7.981 -26.347 1.00 0.00 C ATOM 980 CZ TYR A 68 31.875 7.292 -26.734 1.00 0.00 C ATOM 981 OH TYR A 68 31.954 5.946 -27.012 1.00 0.00 O ATOM 0 H TYR A 68 31.591 12.313 -28.319 1.00 0.00 H new ATOM 0 HA TYR A 68 29.522 11.635 -26.346 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.546 11.972 -26.178 1.00 0.00 H new ATOM 0 HB3 TYR A 68 31.525 11.625 -24.796 1.00 0.00 H new ATOM 0 HD1 TYR A 68 29.645 9.805 -26.651 1.00 0.00 H new ATOM 0 HD2 TYR A 68 33.809 9.868 -25.766 1.00 0.00 H new ATOM 0 HE1 TYR A 68 29.782 7.404 -27.149 1.00 0.00 H new ATOM 0 HE2 TYR A 68 33.953 7.467 -26.262 1.00 0.00 H new ATOM 0 HH TYR A 68 32.876 5.640 -26.887 1.00 0.00 H new ATOM 991 N SER A 69 30.218 14.563 -26.958 1.00 0.00 N ATOM 992 CA SER A 69 30.082 15.960 -26.564 1.00 0.00 C ATOM 993 C SER A 69 29.933 16.868 -27.779 1.00 0.00 C ATOM 994 O SER A 69 29.550 16.423 -28.861 1.00 0.00 O ATOM 995 CB SER A 69 31.291 16.397 -25.734 1.00 0.00 C ATOM 996 OG SER A 69 31.135 17.724 -25.263 1.00 0.00 O ATOM 0 H SER A 69 30.241 14.404 -27.965 1.00 0.00 H new ATOM 0 HA SER A 69 29.179 16.048 -25.960 1.00 0.00 H new ATOM 0 HB2 SER A 69 31.419 15.721 -24.889 1.00 0.00 H new ATOM 0 HB3 SER A 69 32.195 16.327 -26.338 1.00 0.00 H new ATOM 0 HG SER A 69 31.920 17.978 -24.735 1.00 0.00 H new ATOM 1002 N CYS A 70 30.239 18.146 -27.585 1.00 0.00 N ATOM 1003 CA CYS A 70 30.141 19.131 -28.655 1.00 0.00 C ATOM 1004 C CYS A 70 30.878 18.653 -29.901 1.00 0.00 C ATOM 1005 O CYS A 70 31.674 17.717 -29.841 1.00 0.00 O ATOM 1006 CB CYS A 70 30.706 20.475 -28.194 1.00 0.00 C ATOM 1007 SG CYS A 70 30.334 20.891 -26.458 1.00 0.00 S ATOM 0 H CYS A 70 30.558 18.525 -26.693 1.00 0.00 H new ATOM 0 HA CYS A 70 29.088 19.257 -28.905 1.00 0.00 H new ATOM 0 HB2 CYS A 70 31.788 20.467 -28.329 1.00 0.00 H new ATOM 0 HB3 CYS A 70 30.310 21.262 -28.836 1.00 0.00 H new ATOM 1012 N THR A 71 30.607 19.299 -31.031 1.00 0.00 N ATOM 1013 CA THR A 71 31.245 18.935 -32.288 1.00 0.00 C ATOM 1014 C THR A 71 30.877 19.916 -33.394 1.00 0.00 C ATOM 1015 O THR A 71 29.785 20.485 -33.396 1.00 0.00 O ATOM 1016 CB THR A 71 30.848 17.515 -32.730 1.00 0.00 C ATOM 1017 OG1 THR A 71 31.769 17.032 -33.715 1.00 0.00 O ATOM 1018 CG2 THR A 71 29.437 17.500 -33.299 1.00 0.00 C ATOM 0 H THR A 71 29.950 20.076 -31.100 1.00 0.00 H new ATOM 0 HA THR A 71 32.321 18.968 -32.116 1.00 0.00 H new ATOM 0 HB THR A 71 30.878 16.865 -31.855 1.00 0.00 H new ATOM 0 HG1 THR A 71 31.532 16.114 -33.962 1.00 0.00 H new ATOM 0 HG21 THR A 71 29.179 16.486 -33.605 1.00 0.00 H new ATOM 0 HG22 THR A 71 28.734 17.840 -32.538 1.00 0.00 H new ATOM 0 HG23 THR A 71 29.386 18.163 -34.162 1.00 0.00 H new ATOM 1026 N THR A 72 31.795 20.108 -34.334 1.00 0.00 N ATOM 1027 CA THR A 72 31.568 21.018 -35.449 1.00 0.00 C ATOM 1028 C THR A 72 31.551 20.261 -36.773 1.00 0.00 C ATOM 1029 O THR A 72 32.471 20.383 -37.582 1.00 0.00 O ATOM 1030 CB THR A 72 32.650 22.113 -35.506 1.00 0.00 C ATOM 1031 OG1 THR A 72 33.910 21.582 -35.078 1.00 0.00 O ATOM 1032 CG2 THR A 72 32.267 23.293 -34.628 1.00 0.00 C ATOM 0 H THR A 72 32.704 19.645 -34.346 1.00 0.00 H new ATOM 0 HA THR A 72 30.598 21.488 -35.289 1.00 0.00 H new ATOM 0 HB THR A 72 32.735 22.457 -36.537 1.00 0.00 H new ATOM 0 HG1 THR A 72 34.592 22.285 -35.119 1.00 0.00 H new ATOM 0 HG21 THR A 72 33.045 24.055 -34.683 1.00 0.00 H new ATOM 0 HG22 THR A 72 31.323 23.713 -34.974 1.00 0.00 H new ATOM 0 HG23 THR A 72 32.159 22.959 -33.596 1.00 0.00 H new ATOM 1040 N GLU A 73 30.501 19.473 -36.984 1.00 0.00 N ATOM 1041 CA GLU A 73 30.367 18.689 -38.205 1.00 0.00 C ATOM 1042 C GLU A 73 29.134 19.106 -39.000 1.00 0.00 C ATOM 1043 O GLU A 73 29.237 19.526 -40.154 1.00 0.00 O ATOM 1044 CB GLU A 73 30.289 17.197 -37.869 1.00 0.00 C ATOM 1045 CG GLU A 73 31.641 16.566 -37.582 1.00 0.00 C ATOM 1046 CD GLU A 73 32.223 15.856 -38.790 1.00 0.00 C ATOM 1047 OE1 GLU A 73 31.549 14.953 -39.328 1.00 0.00 O ATOM 1048 OE2 GLU A 73 33.351 16.204 -39.197 1.00 0.00 O ATOM 0 H GLU A 73 29.731 19.361 -36.324 1.00 0.00 H new ATOM 0 HA GLU A 73 31.247 18.876 -38.820 1.00 0.00 H new ATOM 0 HB2 GLU A 73 29.643 17.062 -37.002 1.00 0.00 H new ATOM 0 HB3 GLU A 73 29.821 16.670 -38.700 1.00 0.00 H new ATOM 0 HG2 GLU A 73 32.335 17.338 -37.250 1.00 0.00 H new ATOM 0 HG3 GLU A 73 31.539 15.855 -36.762 1.00 0.00 H new ATOM 1055 N GLY A 74 27.968 18.977 -38.379 1.00 0.00 N ATOM 1056 CA GLY A 74 26.728 19.334 -39.044 1.00 0.00 C ATOM 1057 C GLY A 74 26.357 20.791 -38.863 1.00 0.00 C ATOM 1058 O GLY A 74 25.272 21.106 -38.374 1.00 0.00 O ATOM 0 H GLY A 74 27.858 18.631 -37.426 1.00 0.00 H new ATOM 0 HA2 GLY A 74 26.818 19.117 -40.108 1.00 0.00 H new ATOM 0 HA3 GLY A 74 25.922 18.709 -38.658 1.00 0.00 H new ATOM 1122 N HIS A 79 30.412 27.244 -34.684 1.00 0.00 N ATOM 1123 CA HIS A 79 30.220 27.147 -33.242 1.00 0.00 C ATOM 1124 C HIS A 79 29.962 25.703 -32.826 1.00 0.00 C ATOM 1125 O HIS A 79 29.052 25.054 -33.342 1.00 0.00 O ATOM 1126 CB HIS A 79 29.054 28.034 -32.803 1.00 0.00 C ATOM 1127 CG HIS A 79 28.979 29.333 -33.544 1.00 0.00 C ATOM 1128 ND1 HIS A 79 30.093 30.006 -33.999 1.00 0.00 N ATOM 1129 CD2 HIS A 79 27.913 30.083 -33.914 1.00 0.00 C ATOM 1130 CE1 HIS A 79 29.716 31.113 -34.613 1.00 0.00 C ATOM 1131 NE2 HIS A 79 28.398 31.183 -34.577 1.00 0.00 N ATOM 0 HA HIS A 79 31.132 27.490 -32.753 1.00 0.00 H new ATOM 0 HB2 HIS A 79 28.120 27.490 -32.945 1.00 0.00 H new ATOM 0 HB3 HIS A 79 29.145 28.238 -31.736 1.00 0.00 H new ATOM 0 HD2 HIS A 79 26.874 29.857 -33.723 1.00 0.00 H new ATOM 0 HE1 HIS A 79 30.375 31.838 -35.068 1.00 0.00 H new ATOM 0 HE2 HIS A 79 27.833 31.932 -34.977 1.00 0.00 H new ATOM 1140 N LEU A 80 30.759 25.207 -31.887 1.00 0.00 N ATOM 1141 CA LEU A 80 30.605 23.842 -31.402 1.00 0.00 C ATOM 1142 C LEU A 80 29.153 23.579 -31.019 1.00 0.00 C ATOM 1143 O LEU A 80 28.573 24.303 -30.210 1.00 0.00 O ATOM 1144 CB LEU A 80 31.517 23.608 -30.198 1.00 0.00 C ATOM 1145 CG LEU A 80 33.001 23.448 -30.530 1.00 0.00 C ATOM 1146 CD1 LEU A 80 33.475 24.582 -31.425 1.00 0.00 C ATOM 1147 CD2 LEU A 80 33.829 23.392 -29.255 1.00 0.00 C ATOM 0 H LEU A 80 31.517 25.729 -31.447 1.00 0.00 H new ATOM 0 HA LEU A 80 30.887 23.153 -32.198 1.00 0.00 H new ATOM 0 HB2 LEU A 80 31.403 24.444 -29.508 1.00 0.00 H new ATOM 0 HB3 LEU A 80 31.179 22.714 -29.674 1.00 0.00 H new ATOM 0 HG LEU A 80 33.133 22.509 -31.068 1.00 0.00 H new ATOM 0 HD11 LEU A 80 34.533 24.450 -31.650 1.00 0.00 H new ATOM 0 HD12 LEU A 80 32.903 24.576 -32.353 1.00 0.00 H new ATOM 0 HD13 LEU A 80 33.329 25.534 -30.915 1.00 0.00 H new ATOM 0 HD21 LEU A 80 34.883 23.278 -29.510 1.00 0.00 H new ATOM 0 HD22 LEU A 80 33.690 24.314 -28.690 1.00 0.00 H new ATOM 0 HD23 LEU A 80 33.508 22.544 -28.650 1.00 0.00 H new ATOM 1159 N TRP A 81 28.564 22.546 -31.613 1.00 0.00 N ATOM 1160 CA TRP A 81 27.173 22.203 -31.338 1.00 0.00 C ATOM 1161 C TRP A 81 27.046 20.784 -30.797 1.00 0.00 C ATOM 1162 O TRP A 81 27.885 19.925 -31.064 1.00 0.00 O ATOM 1163 CB TRP A 81 26.336 22.349 -32.609 1.00 0.00 C ATOM 1164 CG TRP A 81 26.676 21.340 -33.662 1.00 0.00 C ATOM 1165 CD1 TRP A 81 27.499 21.520 -34.737 1.00 0.00 C ATOM 1166 CD2 TRP A 81 26.204 19.990 -33.739 1.00 0.00 C ATOM 1167 NE1 TRP A 81 27.565 20.365 -35.478 1.00 0.00 N ATOM 1168 CE2 TRP A 81 26.778 19.412 -34.886 1.00 0.00 C ATOM 1169 CE3 TRP A 81 25.351 19.214 -32.948 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 26.527 18.094 -35.261 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 25.102 17.907 -33.322 1.00 0.00 C ATOM 1172 CH2 TRP A 81 25.688 17.358 -34.469 1.00 0.00 C ATOM 0 H TRP A 81 29.026 21.934 -32.285 1.00 0.00 H new ATOM 0 HA TRP A 81 26.804 22.890 -30.577 1.00 0.00 H new ATOM 0 HB2 TRP A 81 25.281 22.255 -32.353 1.00 0.00 H new ATOM 0 HB3 TRP A 81 26.478 23.350 -33.016 1.00 0.00 H new ATOM 0 HD1 TRP A 81 28.021 22.436 -34.970 1.00 0.00 H new ATOM 0 HE1 TRP A 81 28.111 20.238 -36.330 1.00 0.00 H new ATOM 0 HE3 TRP A 81 24.895 19.628 -32.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 26.978 17.668 -36.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 24.444 17.299 -32.719 1.00 0.00 H new ATOM 0 HH2 TRP A 81 25.474 16.333 -34.734 1.00 0.00 H new ATOM 1183 N CYS A 82 25.978 20.547 -30.041 1.00 0.00 N ATOM 1184 CA CYS A 82 25.717 19.234 -29.463 1.00 0.00 C ATOM 1185 C CYS A 82 24.242 18.879 -29.603 1.00 0.00 C ATOM 1186 O CYS A 82 23.457 19.664 -30.133 1.00 0.00 O ATOM 1187 CB CYS A 82 26.126 19.210 -27.988 1.00 0.00 C ATOM 1188 SG CYS A 82 24.872 19.897 -26.857 1.00 0.00 S ATOM 0 H CYS A 82 25.276 21.252 -29.814 1.00 0.00 H new ATOM 0 HA CYS A 82 26.309 18.495 -30.002 1.00 0.00 H new ATOM 0 HB2 CYS A 82 26.337 18.181 -27.697 1.00 0.00 H new ATOM 0 HB3 CYS A 82 27.053 19.771 -27.870 1.00 0.00 H new ATOM 1193 N SER A 83 23.862 17.696 -29.130 1.00 0.00 N ATOM 1194 CA SER A 83 22.472 17.260 -29.215 1.00 0.00 C ATOM 1195 C SER A 83 21.794 17.326 -27.851 1.00 0.00 C ATOM 1196 O SER A 83 22.418 17.067 -26.823 1.00 0.00 O ATOM 1197 CB SER A 83 22.389 15.840 -29.777 1.00 0.00 C ATOM 1198 OG SER A 83 21.296 15.134 -29.220 1.00 0.00 O ATOM 0 H SER A 83 24.491 17.027 -28.687 1.00 0.00 H new ATOM 0 HA SER A 83 21.949 17.937 -29.891 1.00 0.00 H new ATOM 0 HB2 SER A 83 22.285 15.880 -30.861 1.00 0.00 H new ATOM 0 HB3 SER A 83 23.316 15.307 -29.565 1.00 0.00 H new ATOM 0 HG SER A 83 20.668 14.890 -29.931 1.00 0.00 H new ATOM 1204 N THR A 84 20.513 17.679 -27.852 1.00 0.00 N ATOM 1205 CA THR A 84 19.746 17.783 -26.616 1.00 0.00 C ATOM 1206 C THR A 84 18.729 16.653 -26.503 1.00 0.00 C ATOM 1207 O THR A 84 18.349 16.254 -25.403 1.00 0.00 O ATOM 1208 CB THR A 84 19.009 19.134 -26.528 1.00 0.00 C ATOM 1209 OG1 THR A 84 18.112 19.274 -27.635 1.00 0.00 O ATOM 1210 CG2 THR A 84 19.996 20.292 -26.521 1.00 0.00 C ATOM 0 H THR A 84 19.984 17.898 -28.696 1.00 0.00 H new ATOM 0 HA THR A 84 20.457 17.710 -25.793 1.00 0.00 H new ATOM 0 HB THR A 84 18.444 19.154 -25.596 1.00 0.00 H new ATOM 0 HG1 THR A 84 18.386 18.670 -28.356 1.00 0.00 H new ATOM 0 HG21 THR A 84 19.451 21.234 -26.458 1.00 0.00 H new ATOM 0 HG22 THR A 84 20.660 20.199 -25.662 1.00 0.00 H new ATOM 0 HG23 THR A 84 20.585 20.274 -27.438 1.00 0.00 H new ATOM 1218 N THR A 85 18.295 16.138 -27.649 1.00 0.00 N ATOM 1219 CA THR A 85 17.326 15.050 -27.680 1.00 0.00 C ATOM 1220 C THR A 85 17.968 13.759 -28.179 1.00 0.00 C ATOM 1221 O THR A 85 18.803 13.781 -29.083 1.00 0.00 O ATOM 1222 CB THR A 85 16.127 15.395 -28.581 1.00 0.00 C ATOM 1223 OG1 THR A 85 15.379 16.475 -28.009 1.00 0.00 O ATOM 1224 CG2 THR A 85 15.218 14.189 -28.767 1.00 0.00 C ATOM 0 H THR A 85 18.600 16.457 -28.569 1.00 0.00 H new ATOM 0 HA THR A 85 16.974 14.907 -26.658 1.00 0.00 H new ATOM 0 HB THR A 85 16.512 15.692 -29.556 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.555 16.610 -28.522 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.379 14.461 -29.408 1.00 0.00 H new ATOM 0 HG22 THR A 85 15.780 13.378 -29.230 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.843 13.863 -27.797 1.00 0.00 H new ATOM 1232 N SER A 86 17.574 12.637 -27.584 1.00 0.00 N ATOM 1233 CA SER A 86 18.115 11.338 -27.972 1.00 0.00 C ATOM 1234 C SER A 86 18.119 11.190 -29.489 1.00 0.00 C ATOM 1235 O SER A 86 19.088 10.705 -30.075 1.00 0.00 O ATOM 1236 CB SER A 86 17.298 10.211 -27.337 1.00 0.00 C ATOM 1237 OG SER A 86 16.838 9.298 -28.317 1.00 0.00 O ATOM 0 H SER A 86 16.884 12.601 -26.834 1.00 0.00 H new ATOM 0 HA SER A 86 19.142 11.274 -27.614 1.00 0.00 H new ATOM 0 HB2 SER A 86 17.908 9.684 -26.603 1.00 0.00 H new ATOM 0 HB3 SER A 86 16.448 10.632 -26.801 1.00 0.00 H new ATOM 0 HG SER A 86 16.320 8.587 -27.884 1.00 0.00 H new ATOM 1243 N ASN A 87 17.031 11.617 -30.119 1.00 0.00 N ATOM 1244 CA ASN A 87 16.906 11.540 -31.568 1.00 0.00 C ATOM 1245 C ASN A 87 17.019 12.927 -32.190 1.00 0.00 C ATOM 1246 O ASN A 87 16.019 13.623 -32.365 1.00 0.00 O ATOM 1247 CB ASN A 87 15.567 10.905 -31.950 1.00 0.00 C ATOM 1248 CG ASN A 87 15.740 9.631 -32.755 1.00 0.00 C ATOM 1249 OD1 ASN A 87 15.915 8.549 -32.194 1.00 0.00 O ATOM 1250 ND2 ASN A 87 15.693 9.753 -34.076 1.00 0.00 N ATOM 0 H ASN A 87 16.222 12.021 -29.647 1.00 0.00 H new ATOM 0 HA ASN A 87 17.716 10.919 -31.950 1.00 0.00 H new ATOM 0 HB2 ASN A 87 15.001 10.686 -31.045 1.00 0.00 H new ATOM 0 HB3 ASN A 87 14.981 11.620 -32.527 1.00 0.00 H new ATOM 0 HD21 ASN A 87 15.804 8.930 -34.668 1.00 0.00 H new ATOM 0 HD22 ASN A 87 15.546 10.670 -34.499 1.00 0.00 H new ATOM 1257 N TYR A 88 18.244 13.325 -32.522 1.00 0.00 N ATOM 1258 CA TYR A 88 18.485 14.629 -33.123 1.00 0.00 C ATOM 1259 C TYR A 88 18.083 14.624 -34.592 1.00 0.00 C ATOM 1260 O TYR A 88 17.811 15.672 -35.177 1.00 0.00 O ATOM 1261 CB TYR A 88 19.958 15.018 -32.987 1.00 0.00 C ATOM 1262 CG TYR A 88 20.389 16.099 -33.951 1.00 0.00 C ATOM 1263 CD1 TYR A 88 20.230 17.443 -33.635 1.00 0.00 C ATOM 1264 CD2 TYR A 88 20.949 15.776 -35.181 1.00 0.00 C ATOM 1265 CE1 TYR A 88 20.619 18.433 -34.517 1.00 0.00 C ATOM 1266 CE2 TYR A 88 21.341 16.762 -36.066 1.00 0.00 C ATOM 1267 CZ TYR A 88 21.174 18.088 -35.731 1.00 0.00 C ATOM 1268 OH TYR A 88 21.561 19.072 -36.611 1.00 0.00 O ATOM 0 H TYR A 88 19.083 12.762 -32.384 1.00 0.00 H new ATOM 0 HA TYR A 88 17.877 15.364 -32.595 1.00 0.00 H new ATOM 0 HB2 TYR A 88 20.143 15.357 -31.968 1.00 0.00 H new ATOM 0 HB3 TYR A 88 20.575 14.134 -33.146 1.00 0.00 H new ATOM 0 HD1 TYR A 88 19.796 17.718 -32.685 1.00 0.00 H new ATOM 0 HD2 TYR A 88 21.080 14.738 -35.449 1.00 0.00 H new ATOM 0 HE1 TYR A 88 20.489 19.473 -34.256 1.00 0.00 H new ATOM 0 HE2 TYR A 88 21.777 16.494 -37.017 1.00 0.00 H new ATOM 0 HH TYR A 88 20.770 19.443 -37.056 1.00 0.00 H new ATOM 1278 N GLU A 89 18.044 13.433 -35.179 1.00 0.00 N ATOM 1279 CA GLU A 89 17.673 13.284 -36.579 1.00 0.00 C ATOM 1280 C GLU A 89 16.155 13.281 -36.742 1.00 0.00 C ATOM 1281 O GLU A 89 15.637 13.019 -37.827 1.00 0.00 O ATOM 1282 CB GLU A 89 18.263 11.994 -37.152 1.00 0.00 C ATOM 1283 CG GLU A 89 19.780 11.936 -37.084 1.00 0.00 C ATOM 1284 CD GLU A 89 20.337 10.619 -37.585 1.00 0.00 C ATOM 1285 OE1 GLU A 89 19.980 10.213 -38.711 1.00 0.00 O ATOM 1286 OE2 GLU A 89 21.131 9.993 -36.852 1.00 0.00 O ATOM 0 H GLU A 89 18.265 12.557 -34.706 1.00 0.00 H new ATOM 0 HA GLU A 89 18.078 14.134 -37.128 1.00 0.00 H new ATOM 0 HB2 GLU A 89 17.851 11.143 -36.609 1.00 0.00 H new ATOM 0 HB3 GLU A 89 17.950 11.891 -38.191 1.00 0.00 H new ATOM 0 HG2 GLU A 89 20.198 12.751 -37.675 1.00 0.00 H new ATOM 0 HG3 GLU A 89 20.100 12.093 -36.054 1.00 0.00 H new ATOM 1293 N GLN A 90 15.447 13.576 -35.654 1.00 0.00 N ATOM 1294 CA GLN A 90 13.990 13.608 -35.673 1.00 0.00 C ATOM 1295 C GLN A 90 13.475 14.908 -35.060 1.00 0.00 C ATOM 1296 O GLN A 90 12.594 15.563 -35.616 1.00 0.00 O ATOM 1297 CB GLN A 90 13.426 12.395 -34.918 1.00 0.00 C ATOM 1298 CG GLN A 90 12.117 12.665 -34.190 1.00 0.00 C ATOM 1299 CD GLN A 90 10.948 12.847 -35.139 1.00 0.00 C ATOM 1300 OE1 GLN A 90 10.623 11.953 -35.920 1.00 0.00 O ATOM 1301 NE2 GLN A 90 10.308 14.009 -35.075 1.00 0.00 N ATOM 0 H GLN A 90 15.861 13.796 -34.748 1.00 0.00 H new ATOM 0 HA GLN A 90 13.653 13.562 -36.708 1.00 0.00 H new ATOM 0 HB2 GLN A 90 13.274 11.580 -35.625 1.00 0.00 H new ATOM 0 HB3 GLN A 90 14.167 12.055 -34.195 1.00 0.00 H new ATOM 0 HG2 GLN A 90 11.905 11.838 -33.513 1.00 0.00 H new ATOM 0 HG3 GLN A 90 12.225 13.559 -33.576 1.00 0.00 H new ATOM 0 HE21 GLN A 90 10.611 14.723 -34.412 1.00 0.00 H new ATOM 0 HE22 GLN A 90 9.513 14.188 -35.689 1.00 0.00 H new ATOM 1310 N ASP A 91 14.031 15.269 -33.912 1.00 0.00 N ATOM 1311 CA ASP A 91 13.631 16.486 -33.217 1.00 0.00 C ATOM 1312 C ASP A 91 14.333 17.705 -33.804 1.00 0.00 C ATOM 1313 O ASP A 91 13.704 18.726 -34.079 1.00 0.00 O ATOM 1314 CB ASP A 91 13.945 16.374 -31.724 1.00 0.00 C ATOM 1315 CG ASP A 91 12.696 16.413 -30.867 1.00 0.00 C ATOM 1316 OD1 ASP A 91 11.633 15.967 -31.346 1.00 0.00 O ATOM 1317 OD2 ASP A 91 12.781 16.892 -29.716 1.00 0.00 O ATOM 0 H ASP A 91 14.762 14.736 -33.441 1.00 0.00 H new ATOM 0 HA ASP A 91 12.556 16.610 -33.347 1.00 0.00 H new ATOM 0 HB2 ASP A 91 14.482 15.444 -31.537 1.00 0.00 H new ATOM 0 HB3 ASP A 91 14.608 17.189 -31.433 1.00 0.00 H new ATOM 1322 N GLN A 92 15.644 17.592 -33.993 1.00 0.00 N ATOM 1323 CA GLN A 92 16.433 18.686 -34.546 1.00 0.00 C ATOM 1324 C GLN A 92 16.793 19.695 -33.461 1.00 0.00 C ATOM 1325 O GLN A 92 17.207 20.816 -33.755 1.00 0.00 O ATOM 1326 CB GLN A 92 15.661 19.379 -35.670 1.00 0.00 C ATOM 1327 CG GLN A 92 16.552 20.117 -36.656 1.00 0.00 C ATOM 1328 CD GLN A 92 17.594 19.215 -37.288 1.00 0.00 C ATOM 1329 OE1 GLN A 92 18.752 19.602 -37.447 1.00 0.00 O ATOM 1330 NE2 GLN A 92 17.186 18.005 -37.653 1.00 0.00 N ATOM 0 H GLN A 92 16.182 16.754 -33.771 1.00 0.00 H new ATOM 0 HA GLN A 92 17.356 18.271 -34.952 1.00 0.00 H new ATOM 0 HB2 GLN A 92 15.075 18.635 -36.209 1.00 0.00 H new ATOM 0 HB3 GLN A 92 14.955 20.085 -35.233 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.935 20.557 -37.439 1.00 0.00 H new ATOM 0 HG3 GLN A 92 17.051 20.939 -36.144 1.00 0.00 H new ATOM 0 HE21 GLN A 92 16.216 17.727 -37.502 1.00 0.00 H new ATOM 0 HE22 GLN A 92 17.842 17.354 -38.084 1.00 0.00 H new ATOM 1339 N LYS A 93 16.634 19.287 -32.206 1.00 0.00 N ATOM 1340 CA LYS A 93 16.942 20.155 -31.075 1.00 0.00 C ATOM 1341 C LYS A 93 18.399 20.002 -30.655 1.00 0.00 C ATOM 1342 O LYS A 93 18.768 19.029 -29.998 1.00 0.00 O ATOM 1343 CB LYS A 93 16.021 19.837 -29.895 1.00 0.00 C ATOM 1344 CG LYS A 93 14.650 20.482 -30.005 1.00 0.00 C ATOM 1345 CD LYS A 93 13.958 20.098 -31.303 1.00 0.00 C ATOM 1346 CE LYS A 93 12.509 19.703 -31.067 1.00 0.00 C ATOM 1347 NZ LYS A 93 11.565 20.568 -31.827 1.00 0.00 N ATOM 0 H LYS A 93 16.294 18.361 -31.947 1.00 0.00 H new ATOM 0 HA LYS A 93 16.779 21.187 -31.385 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.900 18.756 -29.820 1.00 0.00 H new ATOM 0 HB3 LYS A 93 16.497 20.170 -28.973 1.00 0.00 H new ATOM 0 HG2 LYS A 93 14.034 20.177 -29.159 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.751 21.566 -29.952 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.999 20.935 -32.000 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.491 19.269 -31.769 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.364 18.663 -31.360 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.284 19.768 -30.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.588 20.265 -31.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.685 21.557 -31.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 11.762 20.486 -32.845 1.00 0.00 H new ATOM 1361 N TYR A 94 19.221 20.969 -31.043 1.00 0.00 N ATOM 1362 CA TYR A 94 20.641 20.944 -30.710 1.00 0.00 C ATOM 1363 C TYR A 94 21.040 22.188 -29.925 1.00 0.00 C ATOM 1364 O TYR A 94 20.237 23.102 -29.737 1.00 0.00 O ATOM 1365 CB TYR A 94 21.482 20.843 -31.984 1.00 0.00 C ATOM 1366 CG TYR A 94 21.464 22.100 -32.825 1.00 0.00 C ATOM 1367 CD1 TYR A 94 22.252 23.194 -32.490 1.00 0.00 C ATOM 1368 CD2 TYR A 94 20.661 22.192 -33.954 1.00 0.00 C ATOM 1369 CE1 TYR A 94 22.240 24.344 -33.257 1.00 0.00 C ATOM 1370 CE2 TYR A 94 20.643 23.338 -34.726 1.00 0.00 C ATOM 1371 CZ TYR A 94 21.434 24.411 -34.374 1.00 0.00 C ATOM 1372 OH TYR A 94 21.419 25.554 -35.140 1.00 0.00 O ATOM 0 H TYR A 94 18.930 21.780 -31.588 1.00 0.00 H new ATOM 0 HA TYR A 94 20.826 20.069 -30.087 1.00 0.00 H new ATOM 0 HB2 TYR A 94 22.512 20.613 -31.712 1.00 0.00 H new ATOM 0 HB3 TYR A 94 21.118 20.009 -32.584 1.00 0.00 H new ATOM 0 HD1 TYR A 94 22.884 23.145 -31.616 1.00 0.00 H new ATOM 0 HD2 TYR A 94 20.040 21.354 -34.234 1.00 0.00 H new ATOM 0 HE1 TYR A 94 22.859 25.186 -32.983 1.00 0.00 H new ATOM 0 HE2 TYR A 94 20.012 23.393 -35.601 1.00 0.00 H new ATOM 0 HH TYR A 94 20.799 25.437 -35.890 1.00 0.00 H new ATOM 1382 N SER A 95 22.288 22.213 -29.470 1.00 0.00 N ATOM 1383 CA SER A 95 22.801 23.341 -28.704 1.00 0.00 C ATOM 1384 C SER A 95 24.156 23.790 -29.241 1.00 0.00 C ATOM 1385 O SER A 95 24.565 23.393 -30.331 1.00 0.00 O ATOM 1386 CB SER A 95 22.924 22.965 -27.226 1.00 0.00 C ATOM 1387 OG SER A 95 22.524 21.625 -27.006 1.00 0.00 O ATOM 0 H SER A 95 22.963 21.463 -29.619 1.00 0.00 H new ATOM 0 HA SER A 95 22.098 24.168 -28.804 1.00 0.00 H new ATOM 0 HB2 SER A 95 23.955 23.099 -26.898 1.00 0.00 H new ATOM 0 HB3 SER A 95 22.309 23.635 -26.625 1.00 0.00 H new ATOM 0 HG SER A 95 23.258 21.129 -26.587 1.00 0.00 H new ATOM 1393 N PHE A 96 24.847 24.619 -28.467 1.00 0.00 N ATOM 1394 CA PHE A 96 26.156 25.122 -28.864 1.00 0.00 C ATOM 1395 C PHE A 96 27.195 24.845 -27.782 1.00 0.00 C ATOM 1396 O PHE A 96 26.914 24.156 -26.803 1.00 0.00 O ATOM 1397 CB PHE A 96 26.085 26.624 -29.141 1.00 0.00 C ATOM 1398 CG PHE A 96 25.698 26.959 -30.553 1.00 0.00 C ATOM 1399 CD1 PHE A 96 26.269 26.288 -31.623 1.00 0.00 C ATOM 1400 CD2 PHE A 96 24.763 27.950 -30.810 1.00 0.00 C ATOM 1401 CE1 PHE A 96 25.914 26.598 -32.922 1.00 0.00 C ATOM 1402 CE2 PHE A 96 24.405 28.264 -32.105 1.00 0.00 C ATOM 1403 CZ PHE A 96 24.981 27.588 -33.163 1.00 0.00 C ATOM 0 H PHE A 96 24.522 24.957 -27.561 1.00 0.00 H new ATOM 0 HA PHE A 96 26.456 24.604 -29.775 1.00 0.00 H new ATOM 0 HB2 PHE A 96 25.365 27.077 -28.459 1.00 0.00 H new ATOM 0 HB3 PHE A 96 27.055 27.071 -28.924 1.00 0.00 H new ATOM 0 HD1 PHE A 96 27.000 25.514 -31.439 1.00 0.00 H new ATOM 0 HD2 PHE A 96 24.310 28.482 -29.987 1.00 0.00 H new ATOM 0 HE1 PHE A 96 26.365 26.067 -33.747 1.00 0.00 H new ATOM 0 HE2 PHE A 96 23.675 29.038 -32.291 1.00 0.00 H new ATOM 0 HZ PHE A 96 24.702 27.833 -34.177 1.00 0.00 H new ATOM 1413 N CYS A 97 28.391 25.392 -27.966 1.00 0.00 N ATOM 1414 CA CYS A 97 29.471 25.207 -27.005 1.00 0.00 C ATOM 1415 C CYS A 97 30.533 26.290 -27.170 1.00 0.00 C ATOM 1416 O CYS A 97 31.180 26.388 -28.213 1.00 0.00 O ATOM 1417 CB CYS A 97 30.101 23.824 -27.171 1.00 0.00 C ATOM 1418 SG CYS A 97 29.047 22.453 -26.599 1.00 0.00 S ATOM 0 H CYS A 97 28.637 25.967 -28.772 1.00 0.00 H new ATOM 0 HA CYS A 97 29.051 25.285 -26.002 1.00 0.00 H new ATOM 0 HB2 CYS A 97 30.340 23.670 -28.223 1.00 0.00 H new ATOM 0 HB3 CYS A 97 31.043 23.797 -26.623 1.00 0.00 H new ATOM 1423 N THR A 98 30.700 27.102 -26.134 1.00 0.00 N ATOM 1424 CA THR A 98 31.674 28.186 -26.154 1.00 0.00 C ATOM 1425 C THR A 98 33.072 27.675 -26.490 1.00 0.00 C ATOM 1426 O THR A 98 33.425 27.535 -27.662 1.00 0.00 O ATOM 1427 CB THR A 98 31.715 28.923 -24.804 1.00 0.00 C ATOM 1428 OG1 THR A 98 31.282 28.048 -23.755 1.00 0.00 O ATOM 1429 CG2 THR A 98 30.833 30.158 -24.834 1.00 0.00 C ATOM 0 H THR A 98 30.171 27.030 -25.265 1.00 0.00 H new ATOM 0 HA THR A 98 31.356 28.881 -26.931 1.00 0.00 H new ATOM 0 HB THR A 98 32.743 29.235 -24.617 1.00 0.00 H new ATOM 0 HG1 THR A 98 31.837 28.191 -22.960 1.00 0.00 H new ATOM 0 HG21 THR A 98 30.879 30.661 -23.868 1.00 0.00 H new ATOM 0 HG22 THR A 98 31.182 30.835 -25.613 1.00 0.00 H new ATOM 0 HG23 THR A 98 29.804 29.865 -25.042 1.00 0.00 H new