USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=28 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 88 TYR OH : rot 133:sc= 0.369 USER MOD Set 1.2: A 92 GLN : amide:sc= -1.62 K(o=-1.3,f=-0.28) USER MOD Set 2.1: A 50 ASN : amide:sc= 0.112 X(o=0.11,f=0) USER MOD Set 2.2: A 94 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 3 HIS : no HD1:sc= -0.0645 X(o=-0.065,f=-0.44) USER MOD Set 3.2: A 13 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 12 TYR OH : rot -72:sc= 1.48 USER MOD Set 4.2: A 20 LYS NZ :NH3+ -142:sc= -0.281 (180deg=-0.845) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.029 USER MOD Single : A 8 SER OG : rot -63:sc= 1.09 USER MOD Single : A 16 MET CE :methyl -124:sc= -2.32! (180deg=-6.47!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -1.13 K(o=-1.1,f=-6.5!) USER MOD Single : A 27 MET CE :methyl 171:sc= -0.0415 (180deg=-0.107) USER MOD Single : A 30 THR OG1 : rot 150:sc= -1.64! USER MOD Single : A 34 ASN : amide:sc= -9.1! C(o=-9.1!,f=-11!) USER MOD Single : A 37 SER OG : rot 180:sc= -0.134 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.179 X(o=-0.18,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.405 USER MOD Single : A 51 SER OG : rot 85:sc= -2.88! USER MOD Single : A 52 ASN : amide:sc= -0.943 X(o=-0.94,f=-0.94) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 30:sc= -0.598 USER MOD Single : A 63 ASN : amide:sc= -0.296 K(o=-0.3,f=-1.8!) 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 180:sc= 0.356 USER MOD Single : A 71 THR OG1 : rot 165:sc= 0.646 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -1.78 K(o=-1.8,f=-1.1!) USER MOD Single : A 83 SER OG : rot -84:sc= -0.942! USER MOD Single : A 84 THR OG1 : rot -104:sc= 0.594 USER MOD Single : A 85 THR OG1 : rot 35:sc= 0.312 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -1.51 K(o=-1.5,f=-0.97) USER MOD Single : A 90 GLN : amide:sc= -0.0537 K(o=-0.054,f=-1.8!) USER MOD Single : A 93 LYS NZ :NH3+ -178:sc= -2.83! (180deg=-3.05!) USER MOD Single : A 95 SER OG : rot 83:sc= -2.88! USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0675 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 48.109 5.023 -40.018 1.00 0.00 N ATOM 32 CA HIS A 3 47.449 4.176 -39.034 1.00 0.00 C ATOM 33 C HIS A 3 47.620 4.743 -37.629 1.00 0.00 C ATOM 34 O HIS A 3 48.589 5.449 -37.348 1.00 0.00 O ATOM 35 CB HIS A 3 48.013 2.755 -39.091 1.00 0.00 C ATOM 36 CG HIS A 3 47.086 1.766 -39.728 1.00 0.00 C ATOM 37 ND1 HIS A 3 47.160 1.415 -41.059 1.00 0.00 N ATOM 38 CD2 HIS A 3 46.064 1.046 -39.207 1.00 0.00 C ATOM 39 CE1 HIS A 3 46.223 0.524 -41.330 1.00 0.00 C ATOM 40 NE2 HIS A 3 45.545 0.282 -40.223 1.00 0.00 N ATOM 0 HA HIS A 3 46.386 4.148 -39.272 1.00 0.00 H new ATOM 0 HB2 HIS A 3 48.952 2.768 -39.644 1.00 0.00 H new ATOM 0 HB3 HIS A 3 48.244 2.424 -38.078 1.00 0.00 H new ATOM 0 HD2 HIS A 3 45.721 1.069 -38.183 1.00 0.00 H new ATOM 0 HE1 HIS A 3 46.042 0.071 -42.293 1.00 0.00 H new ATOM 0 HE2 HIS A 3 44.763 -0.367 -40.137 1.00 0.00 H new ATOM 49 N CYS A 4 46.675 4.428 -36.750 1.00 0.00 N ATOM 50 CA CYS A 4 46.722 4.906 -35.373 1.00 0.00 C ATOM 51 C CYS A 4 46.391 3.777 -34.403 1.00 0.00 C ATOM 52 O CYS A 4 45.840 2.750 -34.798 1.00 0.00 O ATOM 53 CB CYS A 4 45.752 6.074 -35.185 1.00 0.00 C ATOM 54 SG CYS A 4 44.227 5.939 -36.179 1.00 0.00 S ATOM 0 H CYS A 4 45.867 3.844 -36.966 1.00 0.00 H new ATOM 0 HA CYS A 4 47.733 5.255 -35.161 1.00 0.00 H new ATOM 0 HB2 CYS A 4 45.482 6.143 -34.131 1.00 0.00 H new ATOM 0 HB3 CYS A 4 46.262 7.002 -35.444 1.00 0.00 H new ATOM 59 N VAL A 5 46.734 3.969 -33.135 1.00 0.00 N ATOM 60 CA VAL A 5 46.475 2.962 -32.112 1.00 0.00 C ATOM 61 C VAL A 5 46.958 3.433 -30.746 1.00 0.00 C ATOM 62 O VAL A 5 47.925 4.189 -30.644 1.00 0.00 O ATOM 63 CB VAL A 5 47.163 1.627 -32.455 1.00 0.00 C ATOM 64 CG1 VAL A 5 48.674 1.763 -32.353 1.00 0.00 C ATOM 65 CG2 VAL A 5 46.656 0.517 -31.545 1.00 0.00 C ATOM 0 H VAL A 5 47.192 4.813 -32.790 1.00 0.00 H new ATOM 0 HA VAL A 5 45.396 2.810 -32.081 1.00 0.00 H new ATOM 0 HB VAL A 5 46.915 1.364 -33.483 1.00 0.00 H new ATOM 0 HG11 VAL A 5 49.143 0.810 -32.599 1.00 0.00 H new ATOM 0 HG12 VAL A 5 49.018 2.527 -33.050 1.00 0.00 H new ATOM 0 HG13 VAL A 5 48.946 2.050 -31.337 1.00 0.00 H new ATOM 0 HG21 VAL A 5 47.153 -0.419 -31.801 1.00 0.00 H new ATOM 0 HG22 VAL A 5 46.872 0.770 -30.507 1.00 0.00 H new ATOM 0 HG23 VAL A 5 45.580 0.404 -31.674 1.00 0.00 H new ATOM 75 N THR A 6 46.278 2.984 -29.697 1.00 0.00 N ATOM 76 CA THR A 6 46.637 3.362 -28.335 1.00 0.00 C ATOM 77 C THR A 6 48.035 2.872 -27.976 1.00 0.00 C ATOM 78 O THR A 6 48.869 3.641 -27.497 1.00 0.00 O ATOM 79 CB THR A 6 45.631 2.801 -27.316 1.00 0.00 C ATOM 80 OG1 THR A 6 45.482 1.388 -27.499 1.00 0.00 O ATOM 81 CG2 THR A 6 44.278 3.481 -27.463 1.00 0.00 C ATOM 0 H THR A 6 45.475 2.358 -29.763 1.00 0.00 H new ATOM 0 HA THR A 6 46.618 4.451 -28.294 1.00 0.00 H new ATOM 0 HB THR A 6 46.014 2.998 -26.315 1.00 0.00 H new ATOM 0 HG1 THR A 6 44.841 1.039 -26.845 1.00 0.00 H new ATOM 0 HG21 THR A 6 43.582 3.069 -26.732 1.00 0.00 H new ATOM 0 HG22 THR A 6 44.389 4.552 -27.294 1.00 0.00 H new ATOM 0 HG23 THR A 6 43.892 3.310 -28.468 1.00 0.00 H new ATOM 89 N ASP A 7 48.284 1.586 -28.207 1.00 0.00 N ATOM 90 CA ASP A 7 49.582 0.994 -27.904 1.00 0.00 C ATOM 91 C ASP A 7 49.605 -0.485 -28.274 1.00 0.00 C ATOM 92 O ASP A 7 50.621 -1.006 -28.732 1.00 0.00 O ATOM 93 CB ASP A 7 49.911 1.165 -26.421 1.00 0.00 C ATOM 94 CG ASP A 7 51.145 2.017 -26.195 1.00 0.00 C ATOM 95 OD1 ASP A 7 52.183 1.738 -26.831 1.00 0.00 O ATOM 96 OD2 ASP A 7 51.073 2.963 -25.384 1.00 0.00 O ATOM 0 H ASP A 7 47.605 0.936 -28.602 1.00 0.00 H new ATOM 0 HA ASP A 7 50.336 1.511 -28.498 1.00 0.00 H new ATOM 0 HB2 ASP A 7 49.061 1.621 -25.914 1.00 0.00 H new ATOM 0 HB3 ASP A 7 50.063 0.184 -25.970 1.00 0.00 H new ATOM 101 N SER A 8 48.476 -1.156 -28.069 1.00 0.00 N ATOM 102 CA SER A 8 48.363 -2.576 -28.378 1.00 0.00 C ATOM 103 C SER A 8 46.977 -3.100 -28.018 1.00 0.00 C ATOM 104 O SER A 8 46.842 -4.057 -27.255 1.00 0.00 O ATOM 105 CB SER A 8 49.432 -3.370 -27.625 1.00 0.00 C ATOM 106 OG SER A 8 49.222 -4.764 -27.759 1.00 0.00 O ATOM 0 H SER A 8 47.626 -0.738 -27.690 1.00 0.00 H new ATOM 0 HA SER A 8 48.514 -2.703 -29.450 1.00 0.00 H new ATOM 0 HB2 SER A 8 50.419 -3.110 -28.007 1.00 0.00 H new ATOM 0 HB3 SER A 8 49.416 -3.097 -26.570 1.00 0.00 H new ATOM 0 HG SER A 8 48.367 -5.007 -27.346 1.00 0.00 H new ATOM 112 N GLY A 9 45.948 -2.467 -28.573 1.00 0.00 N ATOM 113 CA GLY A 9 44.585 -2.883 -28.298 1.00 0.00 C ATOM 114 C GLY A 9 43.623 -2.492 -29.400 1.00 0.00 C ATOM 115 O GLY A 9 42.915 -3.338 -29.946 1.00 0.00 O ATOM 0 H GLY A 9 46.034 -1.674 -29.208 1.00 0.00 H new ATOM 0 HA2 GLY A 9 44.559 -3.965 -28.165 1.00 0.00 H new ATOM 0 HA3 GLY A 9 44.256 -2.438 -27.359 1.00 0.00 H new ATOM 119 N VAL A 10 43.598 -1.206 -29.726 1.00 0.00 N ATOM 120 CA VAL A 10 42.714 -0.699 -30.770 1.00 0.00 C ATOM 121 C VAL A 10 43.508 -0.070 -31.910 1.00 0.00 C ATOM 122 O VAL A 10 43.800 1.126 -31.892 1.00 0.00 O ATOM 123 CB VAL A 10 41.726 0.343 -30.215 1.00 0.00 C ATOM 124 CG1 VAL A 10 40.722 0.751 -31.283 1.00 0.00 C ATOM 125 CG2 VAL A 10 41.015 -0.200 -28.985 1.00 0.00 C ATOM 0 H VAL A 10 44.179 -0.494 -29.283 1.00 0.00 H new ATOM 0 HA VAL A 10 42.155 -1.555 -31.149 1.00 0.00 H new ATOM 0 HB VAL A 10 42.288 1.229 -29.921 1.00 0.00 H new ATOM 0 HG11 VAL A 10 40.032 1.488 -30.871 1.00 0.00 H new ATOM 0 HG12 VAL A 10 41.250 1.183 -32.133 1.00 0.00 H new ATOM 0 HG13 VAL A 10 40.163 -0.126 -31.611 1.00 0.00 H new ATOM 0 HG21 VAL A 10 40.320 0.550 -28.606 1.00 0.00 H new ATOM 0 HG22 VAL A 10 40.465 -1.103 -29.251 1.00 0.00 H new ATOM 0 HG23 VAL A 10 41.749 -0.437 -28.215 1.00 0.00 H new ATOM 135 N VAL A 11 43.850 -0.884 -32.903 1.00 0.00 N ATOM 136 CA VAL A 11 44.606 -0.407 -34.055 1.00 0.00 C ATOM 137 C VAL A 11 43.767 0.532 -34.910 1.00 0.00 C ATOM 138 O VAL A 11 43.243 0.140 -35.952 1.00 0.00 O ATOM 139 CB VAL A 11 45.096 -1.575 -34.930 1.00 0.00 C ATOM 140 CG1 VAL A 11 46.071 -1.073 -35.983 1.00 0.00 C ATOM 141 CG2 VAL A 11 45.734 -2.657 -34.073 1.00 0.00 C ATOM 0 H VAL A 11 43.616 -1.876 -32.933 1.00 0.00 H new ATOM 0 HA VAL A 11 45.469 0.132 -33.664 1.00 0.00 H new ATOM 0 HB VAL A 11 44.237 -2.012 -35.439 1.00 0.00 H new ATOM 0 HG11 VAL A 11 46.409 -1.910 -36.594 1.00 0.00 H new ATOM 0 HG12 VAL A 11 45.575 -0.338 -36.617 1.00 0.00 H new ATOM 0 HG13 VAL A 11 46.929 -0.611 -35.494 1.00 0.00 H new ATOM 0 HG21 VAL A 11 46.073 -3.473 -34.711 1.00 0.00 H new ATOM 0 HG22 VAL A 11 46.585 -2.240 -33.534 1.00 0.00 H new ATOM 0 HG23 VAL A 11 45.002 -3.035 -33.359 1.00 0.00 H new ATOM 151 N TYR A 12 43.648 1.776 -34.462 1.00 0.00 N ATOM 152 CA TYR A 12 42.877 2.778 -35.187 1.00 0.00 C ATOM 153 C TYR A 12 43.510 3.065 -36.543 1.00 0.00 C ATOM 154 O TYR A 12 44.624 2.626 -36.826 1.00 0.00 O ATOM 155 CB TYR A 12 42.790 4.072 -34.376 1.00 0.00 C ATOM 156 CG TYR A 12 42.127 3.909 -33.028 1.00 0.00 C ATOM 157 CD1 TYR A 12 40.750 3.759 -32.924 1.00 0.00 C ATOM 158 CD2 TYR A 12 42.878 3.906 -31.861 1.00 0.00 C ATOM 159 CE1 TYR A 12 40.140 3.610 -31.694 1.00 0.00 C ATOM 160 CE2 TYR A 12 42.277 3.757 -30.626 1.00 0.00 C ATOM 161 CZ TYR A 12 40.908 3.610 -30.548 1.00 0.00 C ATOM 162 OH TYR A 12 40.305 3.462 -29.319 1.00 0.00 O ATOM 0 H TYR A 12 44.076 2.115 -33.600 1.00 0.00 H new ATOM 0 HA TYR A 12 41.872 2.385 -35.343 1.00 0.00 H new ATOM 0 HB2 TYR A 12 43.796 4.465 -34.229 1.00 0.00 H new ATOM 0 HB3 TYR A 12 42.239 4.814 -34.953 1.00 0.00 H new ATOM 0 HD1 TYR A 12 40.147 3.759 -33.820 1.00 0.00 H new ATOM 0 HD2 TYR A 12 43.950 4.022 -31.919 1.00 0.00 H new ATOM 0 HE1 TYR A 12 39.068 3.494 -31.630 1.00 0.00 H new ATOM 0 HE2 TYR A 12 42.876 3.756 -29.727 1.00 0.00 H new ATOM 0 HH TYR A 12 39.819 4.282 -29.092 1.00 0.00 H new ATOM 172 N SER A 13 42.794 3.810 -37.377 1.00 0.00 N ATOM 173 CA SER A 13 43.289 4.163 -38.701 1.00 0.00 C ATOM 174 C SER A 13 43.113 5.653 -38.958 1.00 0.00 C ATOM 175 O SER A 13 42.087 6.232 -38.606 1.00 0.00 O ATOM 176 CB SER A 13 42.562 3.355 -39.775 1.00 0.00 C ATOM 177 OG SER A 13 43.264 2.163 -40.081 1.00 0.00 O ATOM 0 H SER A 13 41.869 4.181 -37.159 1.00 0.00 H new ATOM 0 HA SER A 13 44.352 3.926 -38.743 1.00 0.00 H new ATOM 0 HB2 SER A 13 41.557 3.110 -39.432 1.00 0.00 H new ATOM 0 HB3 SER A 13 42.453 3.958 -40.676 1.00 0.00 H new ATOM 0 HG SER A 13 42.777 1.664 -40.770 1.00 0.00 H new ATOM 183 N VAL A 14 44.125 6.266 -39.567 1.00 0.00 N ATOM 184 CA VAL A 14 44.097 7.693 -39.871 1.00 0.00 C ATOM 185 C VAL A 14 42.680 8.181 -40.154 1.00 0.00 C ATOM 186 O VAL A 14 42.234 8.196 -41.301 1.00 0.00 O ATOM 187 CB VAL A 14 44.993 8.026 -41.080 1.00 0.00 C ATOM 188 CG1 VAL A 14 44.663 7.120 -42.256 1.00 0.00 C ATOM 189 CG2 VAL A 14 44.847 9.490 -41.467 1.00 0.00 C ATOM 0 H VAL A 14 44.979 5.793 -39.861 1.00 0.00 H new ATOM 0 HA VAL A 14 44.478 8.205 -38.988 1.00 0.00 H new ATOM 0 HB VAL A 14 46.031 7.851 -40.798 1.00 0.00 H new ATOM 0 HG11 VAL A 14 45.306 7.370 -43.100 1.00 0.00 H new ATOM 0 HG12 VAL A 14 44.826 6.081 -41.971 1.00 0.00 H new ATOM 0 HG13 VAL A 14 43.620 7.259 -42.541 1.00 0.00 H new ATOM 0 HG21 VAL A 14 45.487 9.706 -42.322 1.00 0.00 H new ATOM 0 HG22 VAL A 14 43.809 9.695 -41.730 1.00 0.00 H new ATOM 0 HG23 VAL A 14 45.140 10.119 -40.627 1.00 0.00 H new ATOM 199 N GLY A 15 41.979 8.579 -39.097 1.00 0.00 N ATOM 200 CA GLY A 15 40.619 9.064 -39.247 1.00 0.00 C ATOM 201 C GLY A 15 39.595 8.144 -38.611 1.00 0.00 C ATOM 202 O GLY A 15 38.445 8.090 -39.049 1.00 0.00 O ATOM 0 H GLY A 15 42.329 8.574 -38.139 1.00 0.00 H new ATOM 0 HA2 GLY A 15 40.539 10.054 -38.799 1.00 0.00 H new ATOM 0 HA3 GLY A 15 40.392 9.175 -40.307 1.00 0.00 H new ATOM 206 N MET A 16 40.006 7.422 -37.572 1.00 0.00 N ATOM 207 CA MET A 16 39.106 6.505 -36.881 1.00 0.00 C ATOM 208 C MET A 16 38.733 7.046 -35.504 1.00 0.00 C ATOM 209 O MET A 16 38.941 6.385 -34.488 1.00 0.00 O ATOM 210 CB MET A 16 39.753 5.127 -36.740 1.00 0.00 C ATOM 211 CG MET A 16 38.755 4.015 -36.462 1.00 0.00 C ATOM 212 SD MET A 16 39.084 2.529 -37.428 1.00 0.00 S ATOM 213 CE MET A 16 39.795 1.465 -36.174 1.00 0.00 C ATOM 0 H MET A 16 40.952 7.454 -37.192 1.00 0.00 H new ATOM 0 HA MET A 16 38.198 6.412 -37.476 1.00 0.00 H new ATOM 0 HB2 MET A 16 40.298 4.895 -37.655 1.00 0.00 H new ATOM 0 HB3 MET A 16 40.484 5.159 -35.932 1.00 0.00 H new ATOM 0 HG2 MET A 16 38.780 3.767 -35.401 1.00 0.00 H new ATOM 0 HG3 MET A 16 37.749 4.372 -36.682 1.00 0.00 H new ATOM 0 HE1 MET A 16 40.779 1.127 -36.499 1.00 0.00 H new ATOM 0 HE2 MET A 16 39.892 2.018 -35.240 1.00 0.00 H new ATOM 0 HE3 MET A 16 39.148 0.602 -36.019 1.00 0.00 H new ATOM 223 N GLN A 17 38.183 8.256 -35.480 1.00 0.00 N ATOM 224 CA GLN A 17 37.781 8.893 -34.231 1.00 0.00 C ATOM 225 C GLN A 17 37.242 7.875 -33.232 1.00 0.00 C ATOM 226 O GLN A 17 36.434 7.014 -33.580 1.00 0.00 O ATOM 227 CB GLN A 17 36.724 9.966 -34.500 1.00 0.00 C ATOM 228 CG GLN A 17 37.283 11.226 -35.141 1.00 0.00 C ATOM 229 CD GLN A 17 36.199 12.201 -35.550 1.00 0.00 C ATOM 230 OE1 GLN A 17 35.852 12.306 -36.727 1.00 0.00 O ATOM 231 NE2 GLN A 17 35.657 12.925 -34.577 1.00 0.00 N ATOM 0 H GLN A 17 38.005 8.816 -36.314 1.00 0.00 H new ATOM 0 HA GLN A 17 38.666 9.357 -33.797 1.00 0.00 H new ATOM 0 HB2 GLN A 17 35.953 9.550 -35.149 1.00 0.00 H new ATOM 0 HB3 GLN A 17 36.240 10.231 -33.560 1.00 0.00 H new ATOM 0 HG2 GLN A 17 37.961 11.715 -34.442 1.00 0.00 H new ATOM 0 HG3 GLN A 17 37.871 10.953 -36.017 1.00 0.00 H new ATOM 0 HE21 GLN A 17 35.975 12.806 -33.615 1.00 0.00 H new ATOM 0 HE22 GLN A 17 34.923 13.600 -34.792 1.00 0.00 H new ATOM 240 N TRP A 18 37.688 7.990 -31.984 1.00 0.00 N ATOM 241 CA TRP A 18 37.248 7.092 -30.924 1.00 0.00 C ATOM 242 C TRP A 18 37.149 7.841 -29.598 1.00 0.00 C ATOM 243 O TRP A 18 37.328 9.057 -29.549 1.00 0.00 O ATOM 244 CB TRP A 18 38.208 5.907 -30.786 1.00 0.00 C ATOM 245 CG TRP A 18 39.516 6.272 -30.155 1.00 0.00 C ATOM 246 CD1 TRP A 18 39.825 6.241 -28.824 1.00 0.00 C ATOM 247 CD2 TRP A 18 40.694 6.728 -30.830 1.00 0.00 C ATOM 248 NE1 TRP A 18 41.122 6.649 -28.633 1.00 0.00 N ATOM 249 CE2 TRP A 18 41.676 6.956 -29.849 1.00 0.00 C ATOM 250 CE3 TRP A 18 41.012 6.967 -32.170 1.00 0.00 C ATOM 251 CZ2 TRP A 18 42.954 7.410 -30.166 1.00 0.00 C ATOM 252 CZ3 TRP A 18 42.281 7.416 -32.484 1.00 0.00 C ATOM 253 CH2 TRP A 18 43.237 7.636 -31.484 1.00 0.00 C ATOM 0 H TRP A 18 38.356 8.699 -31.683 1.00 0.00 H new ATOM 0 HA TRP A 18 36.261 6.712 -31.188 1.00 0.00 H new ATOM 0 HB2 TRP A 18 37.730 5.129 -30.190 1.00 0.00 H new ATOM 0 HB3 TRP A 18 38.395 5.483 -31.773 1.00 0.00 H new ATOM 0 HD1 TRP A 18 39.148 5.940 -28.038 1.00 0.00 H new ATOM 0 HE1 TRP A 18 41.597 6.713 -27.732 1.00 0.00 H new ATOM 0 HE3 TRP A 18 40.279 6.804 -32.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 43.695 7.577 -29.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 42.539 7.600 -33.516 1.00 0.00 H new ATOM 0 HH2 TRP A 18 44.219 7.992 -31.760 1.00 0.00 H new ATOM 264 N LEU A 19 36.860 7.111 -28.528 1.00 0.00 N ATOM 265 CA LEU A 19 36.735 7.715 -27.206 1.00 0.00 C ATOM 266 C LEU A 19 37.245 6.769 -26.126 1.00 0.00 C ATOM 267 O LEU A 19 37.005 5.563 -26.178 1.00 0.00 O ATOM 268 CB LEU A 19 35.279 8.087 -26.935 1.00 0.00 C ATOM 269 CG LEU A 19 35.005 8.679 -25.553 1.00 0.00 C ATOM 270 CD1 LEU A 19 34.843 10.187 -25.646 1.00 0.00 C ATOM 271 CD2 LEU A 19 33.766 8.044 -24.938 1.00 0.00 C ATOM 0 H LEU A 19 36.708 6.103 -28.549 1.00 0.00 H new ATOM 0 HA LEU A 19 37.344 8.619 -27.183 1.00 0.00 H new ATOM 0 HB2 LEU A 19 34.957 8.804 -27.690 1.00 0.00 H new ATOM 0 HB3 LEU A 19 34.664 7.196 -27.059 1.00 0.00 H new ATOM 0 HG LEU A 19 35.857 8.463 -24.908 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.648 10.594 -24.654 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.757 10.627 -26.046 1.00 0.00 H new ATOM 0 HD13 LEU A 19 34.008 10.423 -26.305 1.00 0.00 H new ATOM 0 HD21 LEU A 19 33.585 8.477 -23.954 1.00 0.00 H new ATOM 0 HD22 LEU A 19 32.905 8.230 -25.580 1.00 0.00 H new ATOM 0 HD23 LEU A 19 33.919 6.969 -24.839 1.00 0.00 H new ATOM 283 N LYS A 20 37.951 7.325 -25.148 1.00 0.00 N ATOM 284 CA LYS A 20 38.497 6.530 -24.056 1.00 0.00 C ATOM 285 C LYS A 20 37.763 6.826 -22.751 1.00 0.00 C ATOM 286 O LYS A 20 37.460 7.980 -22.444 1.00 0.00 O ATOM 287 CB LYS A 20 39.991 6.810 -23.894 1.00 0.00 C ATOM 288 CG LYS A 20 40.777 5.646 -23.309 1.00 0.00 C ATOM 289 CD LYS A 20 40.325 4.312 -23.884 1.00 0.00 C ATOM 290 CE LYS A 20 40.175 4.376 -25.396 1.00 0.00 C ATOM 291 NZ LYS A 20 41.128 3.465 -26.089 1.00 0.00 N ATOM 0 H LYS A 20 38.158 8.322 -25.089 1.00 0.00 H new ATOM 0 HA LYS A 20 38.358 5.476 -24.298 1.00 0.00 H new ATOM 0 HB2 LYS A 20 40.410 7.066 -24.867 1.00 0.00 H new ATOM 0 HB3 LYS A 20 40.120 7.682 -23.252 1.00 0.00 H new ATOM 0 HG2 LYS A 20 41.839 5.787 -23.510 1.00 0.00 H new ATOM 0 HG3 LYS A 20 40.657 5.634 -22.226 1.00 0.00 H new ATOM 0 HD2 LYS A 20 41.047 3.539 -23.622 1.00 0.00 H new ATOM 0 HD3 LYS A 20 39.374 4.025 -23.435 1.00 0.00 H new ATOM 0 HE2 LYS A 20 39.154 4.110 -25.671 1.00 0.00 H new ATOM 0 HE3 LYS A 20 40.340 5.399 -25.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 41.477 3.922 -26.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 41.930 3.257 -25.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 40.643 2.579 -26.336 1.00 0.00 H new ATOM 379 N GLN A 26 36.892 9.659 -18.241 1.00 0.00 N ATOM 380 CA GLN A 26 36.212 10.002 -19.484 1.00 0.00 C ATOM 381 C GLN A 26 37.120 10.840 -20.377 1.00 0.00 C ATOM 382 O GLN A 26 37.803 11.746 -19.901 1.00 0.00 O ATOM 383 CB GLN A 26 34.919 10.765 -19.188 1.00 0.00 C ATOM 384 CG GLN A 26 33.665 10.032 -19.632 1.00 0.00 C ATOM 385 CD GLN A 26 33.572 9.898 -21.140 1.00 0.00 C ATOM 386 OE1 GLN A 26 34.417 10.408 -21.874 1.00 0.00 O ATOM 387 NE2 GLN A 26 32.539 9.206 -21.609 1.00 0.00 N ATOM 0 HA GLN A 26 35.965 9.078 -20.007 1.00 0.00 H new ATOM 0 HB2 GLN A 26 34.857 10.957 -18.117 1.00 0.00 H new ATOM 0 HB3 GLN A 26 34.958 11.735 -19.684 1.00 0.00 H new ATOM 0 HG2 GLN A 26 33.649 9.040 -19.181 1.00 0.00 H new ATOM 0 HG3 GLN A 26 32.788 10.564 -19.263 1.00 0.00 H new ATOM 0 HE21 GLN A 26 31.862 8.800 -20.963 1.00 0.00 H new ATOM 0 HE22 GLN A 26 32.423 9.081 -22.615 1.00 0.00 H new ATOM 396 N MET A 27 37.135 10.531 -21.671 1.00 0.00 N ATOM 397 CA MET A 27 37.973 11.265 -22.610 1.00 0.00 C ATOM 398 C MET A 27 37.740 10.812 -24.049 1.00 0.00 C ATOM 399 O MET A 27 37.502 9.634 -24.313 1.00 0.00 O ATOM 400 CB MET A 27 39.448 11.081 -22.246 1.00 0.00 C ATOM 401 CG MET A 27 40.407 11.655 -23.278 1.00 0.00 C ATOM 402 SD MET A 27 40.639 10.565 -24.694 1.00 0.00 S ATOM 403 CE MET A 27 42.196 9.788 -24.271 1.00 0.00 C ATOM 0 H MET A 27 36.581 9.784 -22.089 1.00 0.00 H new ATOM 0 HA MET A 27 37.703 12.319 -22.541 1.00 0.00 H new ATOM 0 HB2 MET A 27 39.638 11.555 -21.283 1.00 0.00 H new ATOM 0 HB3 MET A 27 39.653 10.018 -22.124 1.00 0.00 H new ATOM 0 HG2 MET A 27 40.029 12.617 -23.624 1.00 0.00 H new ATOM 0 HG3 MET A 27 41.372 11.842 -22.807 1.00 0.00 H new ATOM 0 HE1 MET A 27 42.397 8.973 -24.966 1.00 0.00 H new ATOM 0 HE2 MET A 27 42.998 10.523 -24.333 1.00 0.00 H new ATOM 0 HE3 MET A 27 42.142 9.394 -23.256 1.00 0.00 H new ATOM 413 N LEU A 28 37.829 11.761 -24.975 1.00 0.00 N ATOM 414 CA LEU A 28 37.650 11.479 -26.396 1.00 0.00 C ATOM 415 C LEU A 28 38.972 11.670 -27.132 1.00 0.00 C ATOM 416 O LEU A 28 39.625 12.704 -26.985 1.00 0.00 O ATOM 417 CB LEU A 28 36.587 12.403 -26.992 1.00 0.00 C ATOM 418 CG LEU A 28 36.367 12.246 -28.497 1.00 0.00 C ATOM 419 CD1 LEU A 28 34.960 11.743 -28.781 1.00 0.00 C ATOM 420 CD2 LEU A 28 36.617 13.566 -29.211 1.00 0.00 C ATOM 0 H LEU A 28 38.026 12.740 -24.765 1.00 0.00 H new ATOM 0 HA LEU A 28 37.320 10.446 -26.509 1.00 0.00 H new ATOM 0 HB2 LEU A 28 35.642 12.222 -26.481 1.00 0.00 H new ATOM 0 HB3 LEU A 28 36.868 13.436 -26.787 1.00 0.00 H new ATOM 0 HG LEU A 28 37.077 11.510 -28.875 1.00 0.00 H new ATOM 0 HD11 LEU A 28 34.822 11.637 -29.857 1.00 0.00 H new ATOM 0 HD12 LEU A 28 34.815 10.776 -28.300 1.00 0.00 H new ATOM 0 HD13 LEU A 28 34.233 12.455 -28.390 1.00 0.00 H new ATOM 0 HD21 LEU A 28 36.456 13.437 -30.281 1.00 0.00 H new ATOM 0 HD22 LEU A 28 35.930 14.322 -28.829 1.00 0.00 H new ATOM 0 HD23 LEU A 28 37.644 13.886 -29.035 1.00 0.00 H new ATOM 432 N CYS A 29 39.376 10.675 -27.915 1.00 0.00 N ATOM 433 CA CYS A 29 40.633 10.762 -28.649 1.00 0.00 C ATOM 434 C CYS A 29 40.439 10.502 -30.136 1.00 0.00 C ATOM 435 O CYS A 29 39.464 9.877 -30.552 1.00 0.00 O ATOM 436 CB CYS A 29 41.653 9.776 -28.081 1.00 0.00 C ATOM 437 SG CYS A 29 43.372 10.138 -28.561 1.00 0.00 S ATOM 0 H CYS A 29 38.858 9.808 -28.057 1.00 0.00 H new ATOM 0 HA CYS A 29 41.007 11.779 -28.531 1.00 0.00 H new ATOM 0 HB2 CYS A 29 41.581 9.779 -26.993 1.00 0.00 H new ATOM 0 HB3 CYS A 29 41.397 8.770 -28.414 1.00 0.00 H new ATOM 442 N THR A 30 41.385 10.994 -30.929 1.00 0.00 N ATOM 443 CA THR A 30 41.341 10.825 -32.379 1.00 0.00 C ATOM 444 C THR A 30 42.739 10.894 -32.984 1.00 0.00 C ATOM 445 O THR A 30 43.607 11.608 -32.483 1.00 0.00 O ATOM 446 CB THR A 30 40.464 11.901 -33.045 1.00 0.00 C ATOM 447 OG1 THR A 30 39.097 11.739 -32.646 1.00 0.00 O ATOM 448 CG2 THR A 30 40.567 11.820 -34.562 1.00 0.00 C ATOM 0 H THR A 30 42.194 11.515 -30.592 1.00 0.00 H new ATOM 0 HA THR A 30 40.909 9.842 -32.566 1.00 0.00 H new ATOM 0 HB THR A 30 40.822 12.879 -32.723 1.00 0.00 H new ATOM 0 HG1 THR A 30 38.651 12.612 -32.644 1.00 0.00 H new ATOM 0 HG21 THR A 30 39.939 12.590 -35.011 1.00 0.00 H new ATOM 0 HG22 THR A 30 41.603 11.974 -34.865 1.00 0.00 H new ATOM 0 HG23 THR A 30 40.233 10.838 -34.897 1.00 0.00 H new ATOM 456 N CYS A 31 42.950 10.152 -34.067 1.00 0.00 N ATOM 457 CA CYS A 31 44.245 10.141 -34.736 1.00 0.00 C ATOM 458 C CYS A 31 44.221 11.023 -35.979 1.00 0.00 C ATOM 459 O CYS A 31 43.763 10.606 -37.043 1.00 0.00 O ATOM 460 CB CYS A 31 44.652 8.715 -35.111 1.00 0.00 C ATOM 461 SG CYS A 31 43.402 7.787 -36.046 1.00 0.00 S ATOM 0 H CYS A 31 42.245 9.554 -34.498 1.00 0.00 H new ATOM 0 HA CYS A 31 44.983 10.541 -34.040 1.00 0.00 H new ATOM 0 HB2 CYS A 31 45.569 8.757 -35.699 1.00 0.00 H new ATOM 0 HB3 CYS A 31 44.884 8.166 -34.198 1.00 0.00 H new ATOM 466 N LEU A 32 44.721 12.246 -35.834 1.00 0.00 N ATOM 467 CA LEU A 32 44.765 13.197 -36.934 1.00 0.00 C ATOM 468 C LEU A 32 45.954 12.895 -37.850 1.00 0.00 C ATOM 469 O LEU A 32 46.498 11.791 -37.822 1.00 0.00 O ATOM 470 CB LEU A 32 44.857 14.614 -36.365 1.00 0.00 C ATOM 471 CG LEU A 32 45.796 14.746 -35.171 1.00 0.00 C ATOM 472 CD1 LEU A 32 46.548 16.061 -35.223 1.00 0.00 C ATOM 473 CD2 LEU A 32 45.021 14.616 -33.868 1.00 0.00 C ATOM 0 H LEU A 32 45.103 12.602 -34.958 1.00 0.00 H new ATOM 0 HA LEU A 32 43.857 13.112 -37.531 1.00 0.00 H new ATOM 0 HB2 LEU A 32 45.191 15.289 -37.153 1.00 0.00 H new ATOM 0 HB3 LEU A 32 43.860 14.940 -36.067 1.00 0.00 H new ATOM 0 HG LEU A 32 46.526 13.938 -35.216 1.00 0.00 H new ATOM 0 HD11 LEU A 32 47.212 16.135 -34.362 1.00 0.00 H new ATOM 0 HD12 LEU A 32 47.136 16.108 -36.140 1.00 0.00 H new ATOM 0 HD13 LEU A 32 45.837 16.887 -35.205 1.00 0.00 H new ATOM 0 HD21 LEU A 32 45.706 14.713 -33.026 1.00 0.00 H new ATOM 0 HD22 LEU A 32 44.266 15.401 -33.814 1.00 0.00 H new ATOM 0 HD23 LEU A 32 44.534 13.641 -33.830 1.00 0.00 H new ATOM 485 N GLY A 33 46.349 13.870 -38.661 1.00 0.00 N ATOM 486 CA GLY A 33 47.464 13.670 -39.570 1.00 0.00 C ATOM 487 C GLY A 33 48.813 13.915 -38.918 1.00 0.00 C ATOM 488 O GLY A 33 49.831 13.403 -39.380 1.00 0.00 O ATOM 0 H GLY A 33 45.919 14.794 -38.706 1.00 0.00 H new ATOM 0 HA2 GLY A 33 47.433 12.651 -39.956 1.00 0.00 H new ATOM 0 HA3 GLY A 33 47.353 14.338 -40.424 1.00 0.00 H new ATOM 492 N ASN A 34 48.821 14.698 -37.845 1.00 0.00 N ATOM 493 CA ASN A 34 50.062 15.005 -37.136 1.00 0.00 C ATOM 494 C ASN A 34 50.302 14.012 -36.002 1.00 0.00 C ATOM 495 O ASN A 34 51.373 13.992 -35.398 1.00 0.00 O ATOM 496 CB ASN A 34 50.039 16.435 -36.582 1.00 0.00 C ATOM 497 CG ASN A 34 48.755 17.176 -36.906 1.00 0.00 C ATOM 498 OD1 ASN A 34 48.205 17.043 -37.999 1.00 0.00 O ATOM 499 ND2 ASN A 34 48.273 17.967 -35.953 1.00 0.00 N ATOM 0 H ASN A 34 47.988 15.131 -37.447 1.00 0.00 H new ATOM 0 HA ASN A 34 50.879 14.922 -37.852 1.00 0.00 H new ATOM 0 HB2 ASN A 34 50.170 16.402 -35.500 1.00 0.00 H new ATOM 0 HB3 ASN A 34 50.885 16.990 -36.988 1.00 0.00 H new ATOM 0 HD21 ASN A 34 47.414 18.494 -36.113 1.00 0.00 H new ATOM 0 HD22 ASN A 34 48.762 18.047 -35.061 1.00 0.00 H new ATOM 506 N GLY A 35 49.297 13.190 -35.720 1.00 0.00 N ATOM 507 CA GLY A 35 49.417 12.206 -34.661 1.00 0.00 C ATOM 508 C GLY A 35 48.075 11.842 -34.060 1.00 0.00 C ATOM 509 O GLY A 35 47.095 11.654 -34.783 1.00 0.00 O ATOM 0 H GLY A 35 48.401 13.188 -36.207 1.00 0.00 H new ATOM 0 HA2 GLY A 35 49.892 11.307 -35.055 1.00 0.00 H new ATOM 0 HA3 GLY A 35 50.069 12.595 -33.879 1.00 0.00 H new ATOM 513 N VAL A 36 48.025 11.745 -32.736 1.00 0.00 N ATOM 514 CA VAL A 36 46.789 11.406 -32.046 1.00 0.00 C ATOM 515 C VAL A 36 46.523 12.373 -30.893 1.00 0.00 C ATOM 516 O VAL A 36 47.314 12.474 -29.954 1.00 0.00 O ATOM 517 CB VAL A 36 46.814 9.942 -31.529 1.00 0.00 C ATOM 518 CG1 VAL A 36 46.025 9.783 -30.233 1.00 0.00 C ATOM 519 CG2 VAL A 36 46.273 9.006 -32.592 1.00 0.00 C ATOM 0 H VAL A 36 48.825 11.896 -32.122 1.00 0.00 H new ATOM 0 HA VAL A 36 45.977 11.497 -32.767 1.00 0.00 H new ATOM 0 HB VAL A 36 47.851 9.684 -31.314 1.00 0.00 H new ATOM 0 HG11 VAL A 36 46.068 8.744 -29.906 1.00 0.00 H new ATOM 0 HG12 VAL A 36 46.456 10.424 -29.464 1.00 0.00 H new ATOM 0 HG13 VAL A 36 44.986 10.067 -30.402 1.00 0.00 H new ATOM 0 HG21 VAL A 36 46.295 7.982 -32.220 1.00 0.00 H new ATOM 0 HG22 VAL A 36 45.247 9.283 -32.833 1.00 0.00 H new ATOM 0 HG23 VAL A 36 46.888 9.079 -33.489 1.00 0.00 H new ATOM 529 N SER A 37 45.396 13.071 -30.973 1.00 0.00 N ATOM 530 CA SER A 37 45.005 14.024 -29.941 1.00 0.00 C ATOM 531 C SER A 37 43.727 13.558 -29.256 1.00 0.00 C ATOM 532 O SER A 37 42.973 12.760 -29.812 1.00 0.00 O ATOM 533 CB SER A 37 44.799 15.414 -30.549 1.00 0.00 C ATOM 534 OG SER A 37 43.889 16.178 -29.778 1.00 0.00 O ATOM 0 H SER A 37 44.734 12.994 -31.745 1.00 0.00 H new ATOM 0 HA SER A 37 45.803 14.082 -29.200 1.00 0.00 H new ATOM 0 HB2 SER A 37 45.755 15.934 -30.609 1.00 0.00 H new ATOM 0 HB3 SER A 37 44.425 15.317 -31.568 1.00 0.00 H new ATOM 0 HG SER A 37 43.776 17.062 -30.186 1.00 0.00 H new ATOM 540 N CYS A 38 43.486 14.048 -28.045 1.00 0.00 N ATOM 541 CA CYS A 38 42.294 13.658 -27.301 1.00 0.00 C ATOM 542 C CYS A 38 41.910 14.715 -26.270 1.00 0.00 C ATOM 543 O CYS A 38 42.756 15.469 -25.789 1.00 0.00 O ATOM 544 CB CYS A 38 42.522 12.316 -26.601 1.00 0.00 C ATOM 545 SG CYS A 38 44.023 11.427 -27.132 1.00 0.00 S ATOM 0 H CYS A 38 44.093 14.709 -27.561 1.00 0.00 H new ATOM 0 HA CYS A 38 41.475 13.562 -28.014 1.00 0.00 H new ATOM 0 HB2 CYS A 38 42.578 12.487 -25.526 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.656 11.678 -26.777 1.00 0.00 H new ATOM 550 N GLN A 39 40.625 14.753 -25.931 1.00 0.00 N ATOM 551 CA GLN A 39 40.117 15.705 -24.951 1.00 0.00 C ATOM 552 C GLN A 39 39.775 14.993 -23.647 1.00 0.00 C ATOM 553 O GLN A 39 38.673 14.468 -23.483 1.00 0.00 O ATOM 554 CB GLN A 39 38.881 16.421 -25.498 1.00 0.00 C ATOM 555 CG GLN A 39 39.047 16.913 -26.926 1.00 0.00 C ATOM 556 CD GLN A 39 37.948 17.871 -27.344 1.00 0.00 C ATOM 557 OE1 GLN A 39 38.204 19.040 -27.632 1.00 0.00 O ATOM 558 NE2 GLN A 39 36.715 17.378 -27.377 1.00 0.00 N ATOM 0 H GLN A 39 39.915 14.133 -26.322 1.00 0.00 H new ATOM 0 HA GLN A 39 40.893 16.445 -24.753 1.00 0.00 H new ATOM 0 HB2 GLN A 39 38.029 15.743 -25.453 1.00 0.00 H new ATOM 0 HB3 GLN A 39 38.648 17.270 -24.855 1.00 0.00 H new ATOM 0 HG2 GLN A 39 40.013 17.408 -27.026 1.00 0.00 H new ATOM 0 HG3 GLN A 39 39.056 16.058 -27.602 1.00 0.00 H new ATOM 0 HE21 GLN A 39 36.549 16.402 -27.130 1.00 0.00 H new ATOM 0 HE22 GLN A 39 35.934 17.975 -27.649 1.00 0.00 H new ATOM 636 N GLN A 45 27.669 21.186 -20.636 1.00 0.00 N ATOM 637 CA GLN A 45 26.812 22.099 -19.890 1.00 0.00 C ATOM 638 C GLN A 45 25.364 21.986 -20.355 1.00 0.00 C ATOM 639 O GLN A 45 25.073 21.327 -21.354 1.00 0.00 O ATOM 640 CB GLN A 45 27.301 23.539 -20.055 1.00 0.00 C ATOM 641 CG GLN A 45 28.810 23.684 -19.933 1.00 0.00 C ATOM 642 CD GLN A 45 29.322 23.301 -18.558 1.00 0.00 C ATOM 643 OE1 GLN A 45 30.255 22.509 -18.428 1.00 0.00 O ATOM 644 NE2 GLN A 45 28.712 23.866 -17.523 1.00 0.00 N ATOM 0 HA GLN A 45 26.860 21.824 -18.836 1.00 0.00 H new ATOM 0 HB2 GLN A 45 26.986 23.912 -21.029 1.00 0.00 H new ATOM 0 HB3 GLN A 45 26.822 24.166 -19.303 1.00 0.00 H new ATOM 0 HG2 GLN A 45 29.293 23.059 -20.684 1.00 0.00 H new ATOM 0 HG3 GLN A 45 29.091 24.715 -20.147 1.00 0.00 H new ATOM 0 HE21 GLN A 45 27.942 24.517 -17.678 1.00 0.00 H new ATOM 0 HE22 GLN A 45 29.013 23.649 -16.573 1.00 0.00 H new ATOM 653 N THR A 46 24.459 22.630 -19.625 1.00 0.00 N ATOM 654 CA THR A 46 23.042 22.597 -19.965 1.00 0.00 C ATOM 655 C THR A 46 22.285 23.741 -19.298 1.00 0.00 C ATOM 656 O THR A 46 22.574 24.110 -18.159 1.00 0.00 O ATOM 657 CB THR A 46 22.398 21.261 -19.552 1.00 0.00 C ATOM 658 OG1 THR A 46 22.819 20.900 -18.231 1.00 0.00 O ATOM 659 CG2 THR A 46 22.773 20.155 -20.528 1.00 0.00 C ATOM 0 H THR A 46 24.682 23.180 -18.795 1.00 0.00 H new ATOM 0 HA THR A 46 22.976 22.707 -21.047 1.00 0.00 H new ATOM 0 HB THR A 46 21.315 21.386 -19.566 1.00 0.00 H new ATOM 0 HG1 THR A 46 22.403 20.050 -17.976 1.00 0.00 H new ATOM 0 HG21 THR A 46 22.307 19.221 -20.216 1.00 0.00 H new ATOM 0 HG22 THR A 46 22.425 20.418 -21.527 1.00 0.00 H new ATOM 0 HG23 THR A 46 23.856 20.033 -20.541 1.00 0.00 H new ATOM 667 N TYR A 47 21.313 24.296 -20.015 1.00 0.00 N ATOM 668 CA TYR A 47 20.510 25.396 -19.496 1.00 0.00 C ATOM 669 C TYR A 47 19.157 25.457 -20.196 1.00 0.00 C ATOM 670 O TYR A 47 19.083 25.651 -21.410 1.00 0.00 O ATOM 671 CB TYR A 47 21.248 26.724 -19.673 1.00 0.00 C ATOM 672 CG TYR A 47 21.386 27.150 -21.117 1.00 0.00 C ATOM 673 CD1 TYR A 47 20.380 27.873 -21.747 1.00 0.00 C ATOM 674 CD2 TYR A 47 22.522 26.832 -21.851 1.00 0.00 C ATOM 675 CE1 TYR A 47 20.501 28.264 -23.066 1.00 0.00 C ATOM 676 CE2 TYR A 47 22.650 27.220 -23.171 1.00 0.00 C ATOM 677 CZ TYR A 47 21.638 27.936 -23.773 1.00 0.00 C ATOM 678 OH TYR A 47 21.762 28.324 -25.088 1.00 0.00 O ATOM 0 H TYR A 47 21.063 24.001 -20.959 1.00 0.00 H new ATOM 0 HA TYR A 47 20.343 25.221 -18.433 1.00 0.00 H new ATOM 0 HB2 TYR A 47 20.718 27.501 -19.122 1.00 0.00 H new ATOM 0 HB3 TYR A 47 22.241 26.641 -19.231 1.00 0.00 H new ATOM 0 HD1 TYR A 47 19.489 28.133 -21.196 1.00 0.00 H new ATOM 0 HD2 TYR A 47 23.318 26.272 -21.382 1.00 0.00 H new ATOM 0 HE1 TYR A 47 19.709 28.824 -23.541 1.00 0.00 H new ATOM 0 HE2 TYR A 47 23.539 26.963 -23.728 1.00 0.00 H new ATOM 0 HH TYR A 47 22.622 28.015 -25.441 1.00 0.00 H new ATOM 688 N GLY A 48 18.088 25.290 -19.423 1.00 0.00 N ATOM 689 CA GLY A 48 16.751 25.329 -19.986 1.00 0.00 C ATOM 690 C GLY A 48 16.551 24.296 -21.078 1.00 0.00 C ATOM 691 O GLY A 48 16.301 23.124 -20.795 1.00 0.00 O ATOM 0 H GLY A 48 18.124 25.128 -18.417 1.00 0.00 H new ATOM 0 HA2 GLY A 48 16.021 25.161 -19.194 1.00 0.00 H new ATOM 0 HA3 GLY A 48 16.559 26.323 -20.391 1.00 0.00 H new ATOM 695 N GLY A 49 16.661 24.732 -22.328 1.00 0.00 N ATOM 696 CA GLY A 49 16.488 23.825 -23.448 1.00 0.00 C ATOM 697 C GLY A 49 15.156 23.102 -23.410 1.00 0.00 C ATOM 698 O GLY A 49 14.100 23.733 -23.370 1.00 0.00 O ATOM 0 H GLY A 49 16.867 25.697 -22.586 1.00 0.00 H new ATOM 0 HA2 GLY A 49 16.567 24.385 -24.380 1.00 0.00 H new ATOM 0 HA3 GLY A 49 17.295 23.093 -23.446 1.00 0.00 H new ATOM 702 N ASN A 50 15.206 21.774 -23.420 1.00 0.00 N ATOM 703 CA ASN A 50 13.993 20.963 -23.388 1.00 0.00 C ATOM 704 C ASN A 50 13.953 20.091 -22.136 1.00 0.00 C ATOM 705 O ASN A 50 12.938 19.459 -21.841 1.00 0.00 O ATOM 706 CB ASN A 50 13.908 20.086 -24.638 1.00 0.00 C ATOM 707 CG ASN A 50 12.677 20.384 -25.470 1.00 0.00 C ATOM 708 OD1 ASN A 50 11.663 19.692 -25.372 1.00 0.00 O ATOM 709 ND2 ASN A 50 12.758 21.420 -26.297 1.00 0.00 N ATOM 0 H ASN A 50 16.072 21.236 -23.450 1.00 0.00 H new ATOM 0 HA ASN A 50 13.136 21.637 -23.366 1.00 0.00 H new ATOM 0 HB2 ASN A 50 14.800 20.238 -25.246 1.00 0.00 H new ATOM 0 HB3 ASN A 50 13.898 19.037 -24.343 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.961 21.669 -26.882 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.618 21.967 -26.347 1.00 0.00 H new ATOM 716 N SER A 51 15.062 20.060 -21.403 1.00 0.00 N ATOM 717 CA SER A 51 15.151 19.266 -20.184 1.00 0.00 C ATOM 718 C SER A 51 15.332 20.159 -18.961 1.00 0.00 C ATOM 719 O SER A 51 15.664 19.683 -17.875 1.00 0.00 O ATOM 720 CB SER A 51 16.310 18.272 -20.280 1.00 0.00 C ATOM 721 OG SER A 51 16.798 17.931 -18.995 1.00 0.00 O ATOM 0 H SER A 51 15.911 20.576 -21.633 1.00 0.00 H new ATOM 0 HA SER A 51 14.217 18.715 -20.073 1.00 0.00 H new ATOM 0 HB2 SER A 51 15.979 17.371 -20.797 1.00 0.00 H new ATOM 0 HB3 SER A 51 17.115 18.704 -20.875 1.00 0.00 H new ATOM 0 HG SER A 51 16.260 17.201 -18.624 1.00 0.00 H new ATOM 727 N ASN A 52 15.110 21.457 -19.143 1.00 0.00 N ATOM 728 CA ASN A 52 15.248 22.418 -18.054 1.00 0.00 C ATOM 729 C ASN A 52 16.609 22.283 -17.379 1.00 0.00 C ATOM 730 O ASN A 52 16.765 22.615 -16.203 1.00 0.00 O ATOM 731 CB ASN A 52 14.132 22.218 -17.026 1.00 0.00 C ATOM 732 CG ASN A 52 14.235 23.189 -15.865 1.00 0.00 C ATOM 733 OD1 ASN A 52 14.284 24.403 -16.058 1.00 0.00 O ATOM 734 ND2 ASN A 52 14.268 22.655 -14.650 1.00 0.00 N ATOM 0 H ASN A 52 14.834 21.868 -20.035 1.00 0.00 H new ATOM 0 HA ASN A 52 15.170 23.421 -18.474 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.165 22.341 -17.514 1.00 0.00 H new ATOM 0 HB3 ASN A 52 14.170 21.197 -16.647 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.337 23.257 -13.830 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.225 21.642 -14.537 1.00 0.00 H new ATOM 741 N GLY A 53 17.591 21.796 -18.128 1.00 0.00 N ATOM 742 CA GLY A 53 18.925 21.626 -17.585 1.00 0.00 C ATOM 743 C GLY A 53 19.089 20.308 -16.853 1.00 0.00 C ATOM 744 O GLY A 53 18.592 20.143 -15.739 1.00 0.00 O ATOM 0 H GLY A 53 17.487 21.515 -19.103 1.00 0.00 H new ATOM 0 HA2 GLY A 53 19.653 21.682 -18.394 1.00 0.00 H new ATOM 0 HA3 GLY A 53 19.143 22.447 -16.902 1.00 0.00 H new ATOM 748 N GLU A 54 19.787 19.367 -17.482 1.00 0.00 N ATOM 749 CA GLU A 54 20.013 18.056 -16.884 1.00 0.00 C ATOM 750 C GLU A 54 21.184 17.347 -17.562 1.00 0.00 C ATOM 751 O GLU A 54 21.689 17.804 -18.588 1.00 0.00 O ATOM 752 CB GLU A 54 18.732 17.210 -16.976 1.00 0.00 C ATOM 753 CG GLU A 54 18.778 16.108 -18.027 1.00 0.00 C ATOM 754 CD GLU A 54 17.519 15.263 -18.041 1.00 0.00 C ATOM 755 OE1 GLU A 54 17.457 14.279 -17.273 1.00 0.00 O ATOM 756 OE2 GLU A 54 16.597 15.585 -18.818 1.00 0.00 O ATOM 0 H GLU A 54 20.205 19.488 -18.404 1.00 0.00 H new ATOM 0 HA GLU A 54 20.268 18.189 -15.833 1.00 0.00 H new ATOM 0 HB2 GLU A 54 18.539 16.759 -16.003 1.00 0.00 H new ATOM 0 HB3 GLU A 54 17.891 17.869 -17.195 1.00 0.00 H new ATOM 0 HG2 GLU A 54 18.922 16.555 -19.011 1.00 0.00 H new ATOM 0 HG3 GLU A 54 19.639 15.467 -17.839 1.00 0.00 H new ATOM 763 N PRO A 55 21.626 16.214 -16.996 1.00 0.00 N ATOM 764 CA PRO A 55 22.739 15.435 -17.549 1.00 0.00 C ATOM 765 C PRO A 55 22.422 14.886 -18.936 1.00 0.00 C ATOM 766 O PRO A 55 21.314 14.413 -19.188 1.00 0.00 O ATOM 767 CB PRO A 55 22.915 14.288 -16.548 1.00 0.00 C ATOM 768 CG PRO A 55 21.611 14.200 -15.829 1.00 0.00 C ATOM 769 CD PRO A 55 21.075 15.602 -15.776 1.00 0.00 C ATOM 0 HA PRO A 55 23.635 16.042 -17.676 1.00 0.00 H new ATOM 0 HB2 PRO A 55 23.149 13.353 -17.057 1.00 0.00 H new ATOM 0 HB3 PRO A 55 23.734 14.489 -15.857 1.00 0.00 H new ATOM 0 HG2 PRO A 55 20.921 13.537 -16.351 1.00 0.00 H new ATOM 0 HG3 PRO A 55 21.745 13.795 -14.826 1.00 0.00 H new ATOM 0 HD2 PRO A 55 19.985 15.617 -15.774 1.00 0.00 H new ATOM 0 HD3 PRO A 55 21.403 16.126 -14.878 1.00 0.00 H new ATOM 777 N CYS A 56 23.401 14.954 -19.831 1.00 0.00 N ATOM 778 CA CYS A 56 23.226 14.464 -21.194 1.00 0.00 C ATOM 779 C CYS A 56 23.397 12.949 -21.251 1.00 0.00 C ATOM 780 O CYS A 56 23.771 12.320 -20.261 1.00 0.00 O ATOM 781 CB CYS A 56 24.222 15.146 -22.132 1.00 0.00 C ATOM 782 SG CYS A 56 24.302 16.956 -21.941 1.00 0.00 S ATOM 0 H CYS A 56 24.324 15.343 -19.638 1.00 0.00 H new ATOM 0 HA CYS A 56 22.214 14.706 -21.519 1.00 0.00 H new ATOM 0 HB2 CYS A 56 25.214 14.729 -21.958 1.00 0.00 H new ATOM 0 HB3 CYS A 56 23.954 14.911 -23.162 1.00 0.00 H new ATOM 787 N VAL A 57 23.114 12.365 -22.413 1.00 0.00 N ATOM 788 CA VAL A 57 23.230 10.924 -22.589 1.00 0.00 C ATOM 789 C VAL A 57 24.097 10.574 -23.794 1.00 0.00 C ATOM 790 O VAL A 57 23.623 9.981 -24.763 1.00 0.00 O ATOM 791 CB VAL A 57 21.847 10.268 -22.762 1.00 0.00 C ATOM 792 CG1 VAL A 57 21.241 10.649 -24.103 1.00 0.00 C ATOM 793 CG2 VAL A 57 21.951 8.757 -22.625 1.00 0.00 C ATOM 0 H VAL A 57 22.803 12.868 -23.244 1.00 0.00 H new ATOM 0 HA VAL A 57 23.703 10.538 -21.686 1.00 0.00 H new ATOM 0 HB VAL A 57 21.189 10.635 -21.974 1.00 0.00 H new ATOM 0 HG11 VAL A 57 20.264 10.177 -24.208 1.00 0.00 H new ATOM 0 HG12 VAL A 57 21.128 11.732 -24.157 1.00 0.00 H new ATOM 0 HG13 VAL A 57 21.895 10.312 -24.907 1.00 0.00 H new ATOM 0 HG21 VAL A 57 20.964 8.312 -22.750 1.00 0.00 H new ATOM 0 HG22 VAL A 57 22.624 8.368 -23.389 1.00 0.00 H new ATOM 0 HG23 VAL A 57 22.339 8.507 -21.638 1.00 0.00 H new ATOM 803 N LEU A 58 25.374 10.933 -23.727 1.00 0.00 N ATOM 804 CA LEU A 58 26.303 10.642 -24.812 1.00 0.00 C ATOM 805 C LEU A 58 27.437 9.749 -24.321 1.00 0.00 C ATOM 806 O LEU A 58 27.582 9.517 -23.121 1.00 0.00 O ATOM 807 CB LEU A 58 26.876 11.933 -25.405 1.00 0.00 C ATOM 808 CG LEU A 58 26.161 13.221 -24.994 1.00 0.00 C ATOM 809 CD1 LEU A 58 26.417 13.534 -23.530 1.00 0.00 C ATOM 810 CD2 LEU A 58 26.612 14.379 -25.871 1.00 0.00 C ATOM 0 H LEU A 58 25.789 11.425 -22.935 1.00 0.00 H new ATOM 0 HA LEU A 58 25.751 10.118 -25.592 1.00 0.00 H new ATOM 0 HB2 LEU A 58 27.924 12.011 -25.115 1.00 0.00 H new ATOM 0 HB3 LEU A 58 26.851 11.855 -26.492 1.00 0.00 H new ATOM 0 HG LEU A 58 25.089 13.077 -25.130 1.00 0.00 H new ATOM 0 HD11 LEU A 58 25.899 14.454 -23.259 1.00 0.00 H new ATOM 0 HD12 LEU A 58 26.048 12.715 -22.913 1.00 0.00 H new ATOM 0 HD13 LEU A 58 27.487 13.658 -23.366 1.00 0.00 H new ATOM 0 HD21 LEU A 58 26.095 15.289 -25.567 1.00 0.00 H new ATOM 0 HD22 LEU A 58 27.687 14.520 -25.763 1.00 0.00 H new ATOM 0 HD23 LEU A 58 26.378 14.159 -26.913 1.00 0.00 H new ATOM 822 N PRO A 59 28.257 9.236 -25.248 1.00 0.00 N ATOM 823 CA PRO A 59 28.104 9.498 -26.682 1.00 0.00 C ATOM 824 C PRO A 59 26.828 8.884 -27.248 1.00 0.00 C ATOM 825 O PRO A 59 26.616 7.675 -27.156 1.00 0.00 O ATOM 826 CB PRO A 59 29.336 8.832 -27.312 1.00 0.00 C ATOM 827 CG PRO A 59 30.268 8.566 -26.176 1.00 0.00 C ATOM 828 CD PRO A 59 29.399 8.359 -24.972 1.00 0.00 C ATOM 0 HA PRO A 59 28.030 10.566 -26.889 1.00 0.00 H new ATOM 0 HB2 PRO A 59 29.065 7.908 -27.822 1.00 0.00 H new ATOM 0 HB3 PRO A 59 29.798 9.483 -28.055 1.00 0.00 H new ATOM 0 HG2 PRO A 59 30.881 7.686 -26.371 1.00 0.00 H new ATOM 0 HG3 PRO A 59 30.950 9.403 -26.026 1.00 0.00 H new ATOM 0 HD2 PRO A 59 29.094 7.318 -24.866 1.00 0.00 H new ATOM 0 HD3 PRO A 59 29.910 8.637 -24.050 1.00 0.00 H new ATOM 836 N PHE A 60 25.980 9.722 -27.835 1.00 0.00 N ATOM 837 CA PHE A 60 24.729 9.255 -28.418 1.00 0.00 C ATOM 838 C PHE A 60 24.823 9.235 -29.938 1.00 0.00 C ATOM 839 O PHE A 60 25.824 9.661 -30.513 1.00 0.00 O ATOM 840 CB PHE A 60 23.569 10.153 -27.984 1.00 0.00 C ATOM 841 CG PHE A 60 23.851 11.616 -28.162 1.00 0.00 C ATOM 842 CD1 PHE A 60 24.001 12.158 -29.428 1.00 0.00 C ATOM 843 CD2 PHE A 60 23.966 12.449 -27.062 1.00 0.00 C ATOM 844 CE1 PHE A 60 24.262 13.504 -29.593 1.00 0.00 C ATOM 845 CE2 PHE A 60 24.226 13.796 -27.220 1.00 0.00 C ATOM 846 CZ PHE A 60 24.375 14.324 -28.488 1.00 0.00 C ATOM 0 H PHE A 60 26.137 10.726 -27.919 1.00 0.00 H new ATOM 0 HA PHE A 60 24.545 8.241 -28.062 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.680 9.889 -28.557 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.341 9.959 -26.936 1.00 0.00 H new ATOM 0 HD1 PHE A 60 23.913 11.521 -30.296 1.00 0.00 H new ATOM 0 HD2 PHE A 60 23.851 12.041 -26.069 1.00 0.00 H new ATOM 0 HE1 PHE A 60 24.378 13.915 -30.585 1.00 0.00 H new ATOM 0 HE2 PHE A 60 24.313 14.436 -26.354 1.00 0.00 H new ATOM 0 HZ PHE A 60 24.580 15.377 -28.615 1.00 0.00 H new ATOM 856 N THR A 61 23.776 8.740 -30.583 1.00 0.00 N ATOM 857 CA THR A 61 23.744 8.668 -32.037 1.00 0.00 C ATOM 858 C THR A 61 22.547 9.429 -32.596 1.00 0.00 C ATOM 859 O THR A 61 21.403 9.150 -32.240 1.00 0.00 O ATOM 860 CB THR A 61 23.688 7.209 -32.526 1.00 0.00 C ATOM 861 OG1 THR A 61 24.305 6.346 -31.562 1.00 0.00 O ATOM 862 CG2 THR A 61 24.388 7.059 -33.869 1.00 0.00 C ATOM 0 H THR A 61 22.939 8.383 -30.123 1.00 0.00 H new ATOM 0 HA THR A 61 24.664 9.127 -32.399 1.00 0.00 H new ATOM 0 HB THR A 61 22.641 6.930 -32.648 1.00 0.00 H new ATOM 0 HG1 THR A 61 24.264 5.420 -31.879 1.00 0.00 H new ATOM 0 HG21 THR A 61 24.335 6.020 -34.193 1.00 0.00 H new ATOM 0 HG22 THR A 61 23.899 7.695 -34.607 1.00 0.00 H new ATOM 0 HG23 THR A 61 25.432 7.355 -33.770 1.00 0.00 H new ATOM 870 N TYR A 62 22.820 10.393 -33.469 1.00 0.00 N ATOM 871 CA TYR A 62 21.764 11.195 -34.074 1.00 0.00 C ATOM 872 C TYR A 62 22.028 11.415 -35.560 1.00 0.00 C ATOM 873 O TYR A 62 23.137 11.772 -35.958 1.00 0.00 O ATOM 874 CB TYR A 62 21.645 12.543 -33.360 1.00 0.00 C ATOM 875 CG TYR A 62 20.796 13.547 -34.105 1.00 0.00 C ATOM 876 CD1 TYR A 62 19.448 13.307 -34.340 1.00 0.00 C ATOM 877 CD2 TYR A 62 21.342 14.735 -34.576 1.00 0.00 C ATOM 878 CE1 TYR A 62 18.669 14.221 -35.022 1.00 0.00 C ATOM 879 CE2 TYR A 62 20.569 15.654 -35.258 1.00 0.00 C ATOM 880 CZ TYR A 62 19.233 15.393 -35.479 1.00 0.00 C ATOM 881 OH TYR A 62 18.461 16.306 -36.158 1.00 0.00 O ATOM 0 H TYR A 62 23.763 10.637 -33.773 1.00 0.00 H new ATOM 0 HA TYR A 62 20.825 10.651 -33.968 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.220 12.384 -32.369 1.00 0.00 H new ATOM 0 HB3 TYR A 62 22.642 12.958 -33.216 1.00 0.00 H new ATOM 0 HD1 TYR A 62 19.002 12.390 -33.983 1.00 0.00 H new ATOM 0 HD2 TYR A 62 22.388 14.943 -34.406 1.00 0.00 H new ATOM 0 HE1 TYR A 62 17.623 14.018 -35.197 1.00 0.00 H new ATOM 0 HE2 TYR A 62 21.009 16.573 -35.617 1.00 0.00 H new ATOM 0 HH TYR A 62 17.535 16.250 -35.843 1.00 0.00 H new ATOM 891 N ASN A 63 21.002 11.199 -36.375 1.00 0.00 N ATOM 892 CA ASN A 63 21.121 11.374 -37.817 1.00 0.00 C ATOM 893 C ASN A 63 22.045 10.320 -38.420 1.00 0.00 C ATOM 894 O ASN A 63 22.404 10.396 -39.595 1.00 0.00 O ATOM 895 CB ASN A 63 21.646 12.774 -38.138 1.00 0.00 C ATOM 896 CG ASN A 63 20.662 13.583 -38.960 1.00 0.00 C ATOM 897 OD1 ASN A 63 19.803 13.028 -39.646 1.00 0.00 O ATOM 898 ND2 ASN A 63 20.782 14.904 -38.894 1.00 0.00 N ATOM 0 H ASN A 63 20.078 10.902 -36.061 1.00 0.00 H new ATOM 0 HA ASN A 63 20.130 11.254 -38.256 1.00 0.00 H new ATOM 0 HB2 ASN A 63 21.859 13.302 -37.208 1.00 0.00 H new ATOM 0 HB3 ASN A 63 22.588 12.691 -38.681 1.00 0.00 H new ATOM 0 HD21 ASN A 63 20.148 15.501 -39.425 1.00 0.00 H new ATOM 0 HD22 ASN A 63 21.509 15.322 -38.313 1.00 0.00 H new ATOM 905 N GLY A 64 22.422 9.336 -37.611 1.00 0.00 N ATOM 906 CA GLY A 64 23.297 8.280 -38.086 1.00 0.00 C ATOM 907 C GLY A 64 24.716 8.427 -37.574 1.00 0.00 C ATOM 908 O GLY A 64 25.481 7.462 -37.567 1.00 0.00 O ATOM 0 H GLY A 64 22.138 9.251 -36.635 1.00 0.00 H new ATOM 0 HA2 GLY A 64 22.899 7.315 -37.773 1.00 0.00 H new ATOM 0 HA3 GLY A 64 23.305 8.282 -39.176 1.00 0.00 H new ATOM 912 N ARG A 65 25.070 9.634 -37.145 1.00 0.00 N ATOM 913 CA ARG A 65 26.408 9.896 -36.630 1.00 0.00 C ATOM 914 C ARG A 65 26.434 9.781 -35.110 1.00 0.00 C ATOM 915 O ARG A 65 25.479 9.300 -34.499 1.00 0.00 O ATOM 916 CB ARG A 65 26.886 11.284 -37.061 1.00 0.00 C ATOM 917 CG ARG A 65 26.093 12.424 -36.445 1.00 0.00 C ATOM 918 CD ARG A 65 25.339 13.213 -37.504 1.00 0.00 C ATOM 919 NE ARG A 65 25.961 14.508 -37.767 1.00 0.00 N ATOM 920 CZ ARG A 65 25.871 15.149 -38.928 1.00 0.00 C ATOM 921 NH1 ARG A 65 25.180 14.619 -39.928 1.00 0.00 N ATOM 922 NH2 ARG A 65 26.472 16.319 -39.090 1.00 0.00 N ATOM 0 H ARG A 65 24.450 10.444 -37.144 1.00 0.00 H new ATOM 0 HA ARG A 65 27.083 9.148 -37.045 1.00 0.00 H new ATOM 0 HB2 ARG A 65 27.936 11.397 -36.791 1.00 0.00 H new ATOM 0 HB3 ARG A 65 26.827 11.358 -38.147 1.00 0.00 H new ATOM 0 HG2 ARG A 65 25.388 12.026 -35.715 1.00 0.00 H new ATOM 0 HG3 ARG A 65 26.768 13.089 -35.906 1.00 0.00 H new ATOM 0 HD2 ARG A 65 25.300 12.635 -38.427 1.00 0.00 H new ATOM 0 HD3 ARG A 65 24.310 13.364 -37.179 1.00 0.00 H new ATOM 0 HE ARG A 65 26.495 14.946 -37.016 1.00 0.00 H new ATOM 0 HH11 ARG A 65 24.717 13.718 -39.807 1.00 0.00 H new ATOM 0 HH12 ARG A 65 25.112 15.112 -40.818 1.00 0.00 H new ATOM 0 HH21 ARG A 65 27.005 16.729 -38.323 1.00 0.00 H new ATOM 0 HH22 ARG A 65 26.402 16.809 -39.982 1.00 0.00 H new ATOM 936 N THR A 66 27.531 10.221 -34.503 1.00 0.00 N ATOM 937 CA THR A 66 27.675 10.159 -33.054 1.00 0.00 C ATOM 938 C THR A 66 28.198 11.476 -32.488 1.00 0.00 C ATOM 939 O THR A 66 28.785 12.282 -33.209 1.00 0.00 O ATOM 940 CB THR A 66 28.623 9.020 -32.635 1.00 0.00 C ATOM 941 OG1 THR A 66 28.229 7.797 -33.271 1.00 0.00 O ATOM 942 CG2 THR A 66 28.614 8.838 -31.124 1.00 0.00 C ATOM 0 H THR A 66 28.331 10.623 -34.991 1.00 0.00 H new ATOM 0 HA THR A 66 26.682 9.967 -32.648 1.00 0.00 H new ATOM 0 HB THR A 66 29.634 9.283 -32.947 1.00 0.00 H new ATOM 0 HG1 THR A 66 28.837 7.077 -33.001 1.00 0.00 H new ATOM 0 HG21 THR A 66 29.291 8.028 -30.851 1.00 0.00 H new ATOM 0 HG22 THR A 66 28.940 9.761 -30.644 1.00 0.00 H new ATOM 0 HG23 THR A 66 27.604 8.594 -30.793 1.00 0.00 H new ATOM 950 N PHE A 67 27.980 11.683 -31.194 1.00 0.00 N ATOM 951 CA PHE A 67 28.430 12.899 -30.525 1.00 0.00 C ATOM 952 C PHE A 67 28.790 12.616 -29.071 1.00 0.00 C ATOM 953 O PHE A 67 27.968 12.113 -28.304 1.00 0.00 O ATOM 954 CB PHE A 67 27.346 13.977 -30.594 1.00 0.00 C ATOM 955 CG PHE A 67 26.679 14.077 -31.937 1.00 0.00 C ATOM 956 CD1 PHE A 67 25.735 13.140 -32.327 1.00 0.00 C ATOM 957 CD2 PHE A 67 26.994 15.109 -32.807 1.00 0.00 C ATOM 958 CE1 PHE A 67 25.118 13.231 -33.560 1.00 0.00 C ATOM 959 CE2 PHE A 67 26.380 15.204 -34.042 1.00 0.00 C ATOM 960 CZ PHE A 67 25.440 14.263 -34.418 1.00 0.00 C ATOM 0 H PHE A 67 27.494 11.024 -30.586 1.00 0.00 H new ATOM 0 HA PHE A 67 29.321 13.258 -31.039 1.00 0.00 H new ATOM 0 HB2 PHE A 67 26.590 13.769 -29.837 1.00 0.00 H new ATOM 0 HB3 PHE A 67 27.789 14.941 -30.345 1.00 0.00 H new ATOM 0 HD1 PHE A 67 25.479 12.330 -31.660 1.00 0.00 H new ATOM 0 HD2 PHE A 67 27.727 15.847 -32.517 1.00 0.00 H new ATOM 0 HE1 PHE A 67 24.384 12.495 -33.852 1.00 0.00 H new ATOM 0 HE2 PHE A 67 26.634 16.012 -34.712 1.00 0.00 H new ATOM 0 HZ PHE A 67 24.958 14.335 -35.382 1.00 0.00 H new ATOM 970 N TYR A 68 30.024 12.942 -28.697 1.00 0.00 N ATOM 971 CA TYR A 68 30.494 12.723 -27.336 1.00 0.00 C ATOM 972 C TYR A 68 30.374 14.001 -26.513 1.00 0.00 C ATOM 973 O TYR A 68 31.057 14.168 -25.501 1.00 0.00 O ATOM 974 CB TYR A 68 31.945 12.242 -27.356 1.00 0.00 C ATOM 975 CG TYR A 68 32.162 11.003 -28.197 1.00 0.00 C ATOM 976 CD1 TYR A 68 31.949 11.023 -29.571 1.00 0.00 C ATOM 977 CD2 TYR A 68 32.578 9.814 -27.616 1.00 0.00 C ATOM 978 CE1 TYR A 68 32.147 9.891 -30.339 1.00 0.00 C ATOM 979 CE2 TYR A 68 32.780 8.680 -28.378 1.00 0.00 C ATOM 980 CZ TYR A 68 32.563 8.723 -29.739 1.00 0.00 C ATOM 981 OH TYR A 68 32.761 7.593 -30.500 1.00 0.00 O ATOM 0 H TYR A 68 30.716 13.359 -29.320 1.00 0.00 H new ATOM 0 HA TYR A 68 29.872 11.957 -26.873 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.579 13.043 -27.735 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.265 12.038 -26.334 1.00 0.00 H new ATOM 0 HD1 TYR A 68 31.624 11.937 -30.045 1.00 0.00 H new ATOM 0 HD2 TYR A 68 32.747 9.774 -26.550 1.00 0.00 H new ATOM 0 HE1 TYR A 68 31.976 9.922 -31.405 1.00 0.00 H new ATOM 0 HE2 TYR A 68 33.107 7.763 -27.910 1.00 0.00 H new ATOM 0 HH TYR A 68 33.055 6.857 -29.923 1.00 0.00 H new ATOM 991 N SER A 69 29.502 14.901 -26.956 1.00 0.00 N ATOM 992 CA SER A 69 29.286 16.167 -26.266 1.00 0.00 C ATOM 993 C SER A 69 28.187 16.976 -26.948 1.00 0.00 C ATOM 994 O SER A 69 27.450 16.457 -27.786 1.00 0.00 O ATOM 995 CB SER A 69 30.582 16.978 -26.227 1.00 0.00 C ATOM 996 OG SER A 69 30.457 18.100 -25.370 1.00 0.00 O ATOM 0 H SER A 69 28.932 14.776 -27.793 1.00 0.00 H new ATOM 0 HA SER A 69 28.972 15.948 -25.245 1.00 0.00 H new ATOM 0 HB2 SER A 69 31.401 16.345 -25.885 1.00 0.00 H new ATOM 0 HB3 SER A 69 30.836 17.312 -27.233 1.00 0.00 H new ATOM 0 HG SER A 69 31.299 18.601 -25.362 1.00 0.00 H new ATOM 1002 N CYS A 70 28.087 18.251 -26.584 1.00 0.00 N ATOM 1003 CA CYS A 70 27.083 19.135 -27.160 1.00 0.00 C ATOM 1004 C CYS A 70 27.186 19.152 -28.683 1.00 0.00 C ATOM 1005 O CYS A 70 28.175 18.687 -29.249 1.00 0.00 O ATOM 1006 CB CYS A 70 27.250 20.551 -26.608 1.00 0.00 C ATOM 1007 SG CYS A 70 27.668 20.614 -24.834 1.00 0.00 S ATOM 0 H CYS A 70 28.691 18.694 -25.892 1.00 0.00 H new ATOM 0 HA CYS A 70 26.097 18.759 -26.886 1.00 0.00 H new ATOM 0 HB2 CYS A 70 28.031 21.060 -27.173 1.00 0.00 H new ATOM 0 HB3 CYS A 70 26.326 21.105 -26.772 1.00 0.00 H new ATOM 1012 N THR A 71 26.161 19.685 -29.341 1.00 0.00 N ATOM 1013 CA THR A 71 26.150 19.753 -30.798 1.00 0.00 C ATOM 1014 C THR A 71 25.040 20.666 -31.306 1.00 0.00 C ATOM 1015 O THR A 71 24.140 21.046 -30.557 1.00 0.00 O ATOM 1016 CB THR A 71 25.970 18.356 -31.424 1.00 0.00 C ATOM 1017 OG1 THR A 71 26.393 18.375 -32.793 1.00 0.00 O ATOM 1018 CG2 THR A 71 24.518 17.911 -31.343 1.00 0.00 C ATOM 0 H THR A 71 25.332 20.074 -28.892 1.00 0.00 H new ATOM 0 HA THR A 71 27.115 20.161 -31.097 1.00 0.00 H new ATOM 0 HB THR A 71 26.582 17.649 -30.865 1.00 0.00 H new ATOM 0 HG1 THR A 71 26.509 17.456 -33.112 1.00 0.00 H new ATOM 0 HG21 THR A 71 24.415 16.923 -31.791 1.00 0.00 H new ATOM 0 HG22 THR A 71 24.208 17.871 -30.299 1.00 0.00 H new ATOM 0 HG23 THR A 71 23.889 18.621 -31.881 1.00 0.00 H new ATOM 1026 N THR A 72 25.114 21.014 -32.587 1.00 0.00 N ATOM 1027 CA THR A 72 24.119 21.880 -33.205 1.00 0.00 C ATOM 1028 C THR A 72 23.568 21.252 -34.481 1.00 0.00 C ATOM 1029 O THR A 72 23.012 21.943 -35.336 1.00 0.00 O ATOM 1030 CB THR A 72 24.709 23.262 -33.539 1.00 0.00 C ATOM 1031 OG1 THR A 72 25.900 23.112 -34.323 1.00 0.00 O ATOM 1032 CG2 THR A 72 25.028 24.034 -32.268 1.00 0.00 C ATOM 0 H THR A 72 25.855 20.708 -33.218 1.00 0.00 H new ATOM 0 HA THR A 72 23.311 22.004 -32.484 1.00 0.00 H new ATOM 0 HB THR A 72 23.967 23.821 -34.110 1.00 0.00 H new ATOM 0 HG1 THR A 72 26.267 23.996 -34.532 1.00 0.00 H new ATOM 0 HG21 THR A 72 25.444 25.007 -32.528 1.00 0.00 H new ATOM 0 HG22 THR A 72 24.116 24.172 -31.688 1.00 0.00 H new ATOM 0 HG23 THR A 72 25.753 23.476 -31.676 1.00 0.00 H new ATOM 1040 N GLU A 73 23.725 19.938 -34.603 1.00 0.00 N ATOM 1041 CA GLU A 73 23.243 19.214 -35.773 1.00 0.00 C ATOM 1042 C GLU A 73 21.741 18.970 -35.684 1.00 0.00 C ATOM 1043 O GLU A 73 21.028 19.044 -36.685 1.00 0.00 O ATOM 1044 CB GLU A 73 23.979 17.881 -35.916 1.00 0.00 C ATOM 1045 CG GLU A 73 25.208 17.958 -36.807 1.00 0.00 C ATOM 1046 CD GLU A 73 24.939 18.689 -38.108 1.00 0.00 C ATOM 1047 OE1 GLU A 73 23.756 18.803 -38.491 1.00 0.00 O ATOM 1048 OE2 GLU A 73 25.912 19.146 -38.744 1.00 0.00 O ATOM 0 H GLU A 73 24.183 19.352 -33.905 1.00 0.00 H new ATOM 0 HA GLU A 73 23.442 19.827 -36.652 1.00 0.00 H new ATOM 0 HB2 GLU A 73 24.278 17.533 -34.927 1.00 0.00 H new ATOM 0 HB3 GLU A 73 23.292 17.138 -36.321 1.00 0.00 H new ATOM 0 HG2 GLU A 73 26.011 18.463 -36.270 1.00 0.00 H new ATOM 0 HG3 GLU A 73 25.557 16.949 -37.027 1.00 0.00 H new ATOM 1055 N GLY A 74 21.267 18.677 -34.478 1.00 0.00 N ATOM 1056 CA GLY A 74 19.852 18.424 -34.279 1.00 0.00 C ATOM 1057 C GLY A 74 19.144 19.584 -33.612 1.00 0.00 C ATOM 1058 O GLY A 74 18.546 19.429 -32.547 1.00 0.00 O ATOM 0 H GLY A 74 21.837 18.610 -33.635 1.00 0.00 H new ATOM 0 HA2 GLY A 74 19.383 18.222 -35.242 1.00 0.00 H new ATOM 0 HA3 GLY A 74 19.728 17.528 -33.670 1.00 0.00 H new ATOM 1122 N HIS A 79 21.467 27.304 -30.667 1.00 0.00 N ATOM 1123 CA HIS A 79 22.055 27.101 -29.349 1.00 0.00 C ATOM 1124 C HIS A 79 22.489 25.650 -29.164 1.00 0.00 C ATOM 1125 O HIS A 79 21.679 24.733 -29.293 1.00 0.00 O ATOM 1126 CB HIS A 79 21.051 27.482 -28.260 1.00 0.00 C ATOM 1127 CG HIS A 79 20.052 28.509 -28.696 1.00 0.00 C ATOM 1128 ND1 HIS A 79 20.365 29.550 -29.545 1.00 0.00 N ATOM 1129 CD2 HIS A 79 18.740 28.650 -28.398 1.00 0.00 C ATOM 1130 CE1 HIS A 79 19.287 30.288 -29.749 1.00 0.00 C ATOM 1131 NE2 HIS A 79 18.288 29.763 -29.065 1.00 0.00 N ATOM 0 HA HIS A 79 22.935 27.739 -29.268 1.00 0.00 H new ATOM 0 HB2 HIS A 79 20.521 26.586 -27.937 1.00 0.00 H new ATOM 0 HB3 HIS A 79 21.594 27.860 -27.394 1.00 0.00 H new ATOM 0 HD2 HIS A 79 18.156 28.007 -27.755 1.00 0.00 H new ATOM 0 HE1 HIS A 79 19.233 31.170 -30.370 1.00 0.00 H new ATOM 0 HE2 HIS A 79 17.335 30.125 -29.036 1.00 0.00 H new ATOM 1140 N LEU A 80 23.766 25.446 -28.852 1.00 0.00 N ATOM 1141 CA LEU A 80 24.286 24.104 -28.642 1.00 0.00 C ATOM 1142 C LEU A 80 23.294 23.287 -27.825 1.00 0.00 C ATOM 1143 O LEU A 80 22.558 23.837 -27.007 1.00 0.00 O ATOM 1144 CB LEU A 80 25.633 24.164 -27.925 1.00 0.00 C ATOM 1145 CG LEU A 80 26.827 24.507 -28.815 1.00 0.00 C ATOM 1146 CD1 LEU A 80 26.462 25.609 -29.795 1.00 0.00 C ATOM 1147 CD2 LEU A 80 28.020 24.918 -27.966 1.00 0.00 C ATOM 0 H LEU A 80 24.454 26.190 -28.740 1.00 0.00 H new ATOM 0 HA LEU A 80 24.429 23.626 -29.611 1.00 0.00 H new ATOM 0 HB2 LEU A 80 25.570 24.904 -27.127 1.00 0.00 H new ATOM 0 HB3 LEU A 80 25.818 23.200 -27.451 1.00 0.00 H new ATOM 0 HG LEU A 80 27.100 23.619 -29.385 1.00 0.00 H new ATOM 0 HD11 LEU A 80 27.324 25.840 -30.420 1.00 0.00 H new ATOM 0 HD12 LEU A 80 25.636 25.278 -30.424 1.00 0.00 H new ATOM 0 HD13 LEU A 80 26.164 26.501 -29.245 1.00 0.00 H new ATOM 0 HD21 LEU A 80 28.862 25.159 -28.614 1.00 0.00 H new ATOM 0 HD22 LEU A 80 27.759 25.793 -27.370 1.00 0.00 H new ATOM 0 HD23 LEU A 80 28.295 24.097 -27.304 1.00 0.00 H new ATOM 1159 N TRP A 81 23.262 21.980 -28.052 1.00 0.00 N ATOM 1160 CA TRP A 81 22.333 21.123 -27.328 1.00 0.00 C ATOM 1161 C TRP A 81 22.881 19.711 -27.143 1.00 0.00 C ATOM 1162 O TRP A 81 23.862 19.318 -27.773 1.00 0.00 O ATOM 1163 CB TRP A 81 20.996 21.061 -28.066 1.00 0.00 C ATOM 1164 CG TRP A 81 21.082 20.348 -29.380 1.00 0.00 C ATOM 1165 CD1 TRP A 81 21.210 20.916 -30.615 1.00 0.00 C ATOM 1166 CD2 TRP A 81 21.050 18.932 -29.590 1.00 0.00 C ATOM 1167 NE1 TRP A 81 21.259 19.940 -31.581 1.00 0.00 N ATOM 1168 CE2 TRP A 81 21.163 18.713 -30.976 1.00 0.00 C ATOM 1169 CE3 TRP A 81 20.937 17.827 -28.741 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 21.165 17.435 -31.531 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 20.940 16.559 -29.293 1.00 0.00 C ATOM 1172 CH2 TRP A 81 21.054 16.372 -30.676 1.00 0.00 C ATOM 0 H TRP A 81 23.860 21.496 -28.722 1.00 0.00 H new ATOM 0 HA TRP A 81 22.192 21.558 -26.339 1.00 0.00 H new ATOM 0 HB2 TRP A 81 20.262 20.559 -27.435 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.633 22.075 -28.233 1.00 0.00 H new ATOM 0 HD1 TRP A 81 21.265 21.978 -30.805 1.00 0.00 H new ATOM 0 HE1 TRP A 81 21.352 20.102 -32.584 1.00 0.00 H new ATOM 0 HE3 TRP A 81 20.849 17.961 -27.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 21.251 17.288 -32.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 20.853 15.698 -28.646 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.054 15.369 -31.076 1.00 0.00 H new ATOM 1183 N CYS A 82 22.217 18.956 -26.274 1.00 0.00 N ATOM 1184 CA CYS A 82 22.595 17.579 -25.983 1.00 0.00 C ATOM 1185 C CYS A 82 21.355 16.764 -25.630 1.00 0.00 C ATOM 1186 O CYS A 82 20.317 17.324 -25.275 1.00 0.00 O ATOM 1187 CB CYS A 82 23.601 17.531 -24.833 1.00 0.00 C ATOM 1188 SG CYS A 82 22.846 17.638 -23.180 1.00 0.00 S ATOM 0 H CYS A 82 21.403 19.281 -25.753 1.00 0.00 H new ATOM 0 HA CYS A 82 23.063 17.150 -26.869 1.00 0.00 H new ATOM 0 HB2 CYS A 82 24.171 16.604 -24.901 1.00 0.00 H new ATOM 0 HB3 CYS A 82 24.310 18.350 -24.950 1.00 0.00 H new ATOM 1193 N SER A 83 21.458 15.445 -25.734 1.00 0.00 N ATOM 1194 CA SER A 83 20.331 14.570 -25.430 1.00 0.00 C ATOM 1195 C SER A 83 20.372 14.098 -23.981 1.00 0.00 C ATOM 1196 O SER A 83 21.429 13.744 -23.462 1.00 0.00 O ATOM 1197 CB SER A 83 20.330 13.364 -26.368 1.00 0.00 C ATOM 1198 OG SER A 83 21.534 12.626 -26.254 1.00 0.00 O ATOM 0 H SER A 83 22.306 14.959 -26.025 1.00 0.00 H new ATOM 0 HA SER A 83 19.415 15.142 -25.577 1.00 0.00 H new ATOM 0 HB2 SER A 83 19.482 12.720 -26.136 1.00 0.00 H new ATOM 0 HB3 SER A 83 20.202 13.700 -27.397 1.00 0.00 H new ATOM 0 HG SER A 83 22.222 13.032 -26.822 1.00 0.00 H new ATOM 1204 N THR A 84 19.210 14.085 -23.336 1.00 0.00 N ATOM 1205 CA THR A 84 19.107 13.644 -21.950 1.00 0.00 C ATOM 1206 C THR A 84 18.573 12.215 -21.875 1.00 0.00 C ATOM 1207 O THR A 84 18.360 11.676 -20.789 1.00 0.00 O ATOM 1208 CB THR A 84 18.192 14.570 -21.130 1.00 0.00 C ATOM 1209 OG1 THR A 84 16.819 14.287 -21.423 1.00 0.00 O ATOM 1210 CG2 THR A 84 18.489 16.030 -21.438 1.00 0.00 C ATOM 0 H THR A 84 18.325 14.375 -23.752 1.00 0.00 H new ATOM 0 HA THR A 84 20.111 13.680 -21.527 1.00 0.00 H new ATOM 0 HB THR A 84 18.382 14.390 -20.072 1.00 0.00 H new ATOM 0 HG1 THR A 84 16.456 14.990 -22.002 1.00 0.00 H new ATOM 0 HG21 THR A 84 17.831 16.668 -20.848 1.00 0.00 H new ATOM 0 HG22 THR A 84 19.527 16.251 -21.189 1.00 0.00 H new ATOM 0 HG23 THR A 84 18.322 16.219 -22.498 1.00 0.00 H new ATOM 1218 N THR A 85 18.363 11.610 -23.039 1.00 0.00 N ATOM 1219 CA THR A 85 17.860 10.246 -23.123 1.00 0.00 C ATOM 1220 C THR A 85 18.273 9.616 -24.454 1.00 0.00 C ATOM 1221 O THR A 85 18.278 10.281 -25.489 1.00 0.00 O ATOM 1222 CB THR A 85 16.320 10.213 -22.961 1.00 0.00 C ATOM 1223 OG1 THR A 85 15.982 10.037 -21.581 1.00 0.00 O ATOM 1224 CG2 THR A 85 15.678 9.099 -23.782 1.00 0.00 C ATOM 0 H THR A 85 18.535 12.048 -23.944 1.00 0.00 H new ATOM 0 HA THR A 85 18.296 9.667 -22.309 1.00 0.00 H new ATOM 0 HB THR A 85 15.934 11.164 -23.328 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.639 10.501 -21.021 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.598 9.116 -23.636 1.00 0.00 H new ATOM 0 HG22 THR A 85 15.904 9.249 -24.838 1.00 0.00 H new ATOM 0 HG23 THR A 85 16.073 8.136 -23.459 1.00 0.00 H new ATOM 1232 N SER A 86 18.624 8.335 -24.418 1.00 0.00 N ATOM 1233 CA SER A 86 19.046 7.623 -25.620 1.00 0.00 C ATOM 1234 C SER A 86 18.145 7.963 -26.801 1.00 0.00 C ATOM 1235 O SER A 86 18.614 8.422 -27.842 1.00 0.00 O ATOM 1236 CB SER A 86 19.034 6.114 -25.376 1.00 0.00 C ATOM 1237 OG SER A 86 20.311 5.549 -25.619 1.00 0.00 O ATOM 0 H SER A 86 18.625 7.768 -23.570 1.00 0.00 H new ATOM 0 HA SER A 86 20.062 7.939 -25.858 1.00 0.00 H new ATOM 0 HB2 SER A 86 18.732 5.911 -24.349 1.00 0.00 H new ATOM 0 HB3 SER A 86 18.295 5.643 -26.024 1.00 0.00 H new ATOM 0 HG SER A 86 20.278 4.583 -25.454 1.00 0.00 H new ATOM 1243 N ASN A 87 16.849 7.731 -26.631 1.00 0.00 N ATOM 1244 CA ASN A 87 15.877 8.007 -27.681 1.00 0.00 C ATOM 1245 C ASN A 87 15.578 9.499 -27.767 1.00 0.00 C ATOM 1246 O ASN A 87 14.614 9.984 -27.173 1.00 0.00 O ATOM 1247 CB ASN A 87 14.585 7.235 -27.414 1.00 0.00 C ATOM 1248 CG ASN A 87 14.248 6.264 -28.529 1.00 0.00 C ATOM 1249 OD1 ASN A 87 13.836 5.131 -28.278 1.00 0.00 O ATOM 1250 ND2 ASN A 87 14.422 6.704 -29.770 1.00 0.00 N ATOM 0 H ASN A 87 16.446 7.352 -25.774 1.00 0.00 H new ATOM 0 HA ASN A 87 16.301 7.685 -28.632 1.00 0.00 H new ATOM 0 HB2 ASN A 87 14.680 6.688 -26.476 1.00 0.00 H new ATOM 0 HB3 ASN A 87 13.763 7.940 -27.290 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.212 6.095 -30.561 1.00 0.00 H new ATOM 0 HD22 ASN A 87 14.766 7.651 -29.932 1.00 0.00 H new ATOM 1257 N TYR A 88 16.406 10.225 -28.513 1.00 0.00 N ATOM 1258 CA TYR A 88 16.220 11.659 -28.672 1.00 0.00 C ATOM 1259 C TYR A 88 15.170 11.951 -29.734 1.00 0.00 C ATOM 1260 O TYR A 88 14.402 12.907 -29.621 1.00 0.00 O ATOM 1261 CB TYR A 88 17.536 12.337 -29.053 1.00 0.00 C ATOM 1262 CG TYR A 88 17.340 13.708 -29.653 1.00 0.00 C ATOM 1263 CD1 TYR A 88 16.599 14.673 -28.984 1.00 0.00 C ATOM 1264 CD2 TYR A 88 17.883 14.036 -30.888 1.00 0.00 C ATOM 1265 CE1 TYR A 88 16.405 15.926 -29.526 1.00 0.00 C ATOM 1266 CE2 TYR A 88 17.694 15.290 -31.439 1.00 0.00 C ATOM 1267 CZ TYR A 88 16.954 16.230 -30.755 1.00 0.00 C ATOM 1268 OH TYR A 88 16.762 17.480 -31.299 1.00 0.00 O ATOM 0 H TYR A 88 17.208 9.843 -29.014 1.00 0.00 H new ATOM 0 HA TYR A 88 15.879 12.058 -27.717 1.00 0.00 H new ATOM 0 HB2 TYR A 88 18.165 12.421 -28.167 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.070 11.708 -29.765 1.00 0.00 H new ATOM 0 HD1 TYR A 88 16.167 14.438 -28.022 1.00 0.00 H new ATOM 0 HD2 TYR A 88 18.462 13.300 -31.427 1.00 0.00 H new ATOM 0 HE1 TYR A 88 15.827 16.665 -28.992 1.00 0.00 H new ATOM 0 HE2 TYR A 88 18.124 15.531 -32.400 1.00 0.00 H new ATOM 0 HH TYR A 88 17.617 17.830 -31.625 1.00 0.00 H new ATOM 1278 N GLU A 89 15.149 11.123 -30.769 1.00 0.00 N ATOM 1279 CA GLU A 89 14.200 11.291 -31.858 1.00 0.00 C ATOM 1280 C GLU A 89 12.849 10.676 -31.508 1.00 0.00 C ATOM 1281 O GLU A 89 11.972 10.554 -32.363 1.00 0.00 O ATOM 1282 CB GLU A 89 14.751 10.661 -33.138 1.00 0.00 C ATOM 1283 CG GLU A 89 15.913 11.430 -33.743 1.00 0.00 C ATOM 1284 CD GLU A 89 15.460 12.563 -34.644 1.00 0.00 C ATOM 1285 OE1 GLU A 89 15.221 13.674 -34.126 1.00 0.00 O ATOM 1286 OE2 GLU A 89 15.345 12.339 -35.867 1.00 0.00 O ATOM 0 H GLU A 89 15.779 10.328 -30.877 1.00 0.00 H new ATOM 0 HA GLU A 89 14.054 12.359 -32.020 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.073 9.642 -32.922 1.00 0.00 H new ATOM 0 HB3 GLU A 89 13.949 10.592 -33.873 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.532 11.834 -32.942 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.538 10.745 -34.315 1.00 0.00 H new ATOM 1293 N GLN A 90 12.686 10.291 -30.245 1.00 0.00 N ATOM 1294 CA GLN A 90 11.441 9.689 -29.789 1.00 0.00 C ATOM 1295 C GLN A 90 10.859 10.458 -28.607 1.00 0.00 C ATOM 1296 O GLN A 90 9.685 10.827 -28.611 1.00 0.00 O ATOM 1297 CB GLN A 90 11.672 8.228 -29.398 1.00 0.00 C ATOM 1298 CG GLN A 90 10.519 7.617 -28.619 1.00 0.00 C ATOM 1299 CD GLN A 90 9.383 7.166 -29.517 1.00 0.00 C ATOM 1300 OE1 GLN A 90 9.550 7.035 -30.729 1.00 0.00 O ATOM 1301 NE2 GLN A 90 8.219 6.927 -28.924 1.00 0.00 N ATOM 0 H GLN A 90 13.400 10.386 -29.522 1.00 0.00 H new ATOM 0 HA GLN A 90 10.726 9.732 -30.610 1.00 0.00 H new ATOM 0 HB2 GLN A 90 11.841 7.641 -30.301 1.00 0.00 H new ATOM 0 HB3 GLN A 90 12.580 8.160 -28.799 1.00 0.00 H new ATOM 0 HG2 GLN A 90 10.884 6.765 -28.045 1.00 0.00 H new ATOM 0 HG3 GLN A 90 10.143 8.347 -27.902 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.126 7.049 -27.916 1.00 0.00 H new ATOM 0 HE22 GLN A 90 7.418 6.622 -29.477 1.00 0.00 H new ATOM 1310 N ASP A 91 11.687 10.688 -27.596 1.00 0.00 N ATOM 1311 CA ASP A 91 11.254 11.407 -26.402 1.00 0.00 C ATOM 1312 C ASP A 91 11.453 12.912 -26.565 1.00 0.00 C ATOM 1313 O ASP A 91 10.810 13.709 -25.883 1.00 0.00 O ATOM 1314 CB ASP A 91 12.018 10.903 -25.175 1.00 0.00 C ATOM 1315 CG ASP A 91 11.430 9.624 -24.611 1.00 0.00 C ATOM 1316 OD1 ASP A 91 11.137 8.705 -25.404 1.00 0.00 O ATOM 1317 OD2 ASP A 91 11.263 9.542 -23.375 1.00 0.00 O ATOM 0 H ASP A 91 12.662 10.388 -27.578 1.00 0.00 H new ATOM 0 HA ASP A 91 10.190 11.219 -26.260 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.060 10.732 -25.445 1.00 0.00 H new ATOM 0 HB3 ASP A 91 12.010 11.674 -24.404 1.00 0.00 H new ATOM 1322 N GLN A 92 12.341 13.293 -27.477 1.00 0.00 N ATOM 1323 CA GLN A 92 12.619 14.701 -27.736 1.00 0.00 C ATOM 1324 C GLN A 92 12.884 15.467 -26.442 1.00 0.00 C ATOM 1325 O GLN A 92 12.293 16.519 -26.201 1.00 0.00 O ATOM 1326 CB GLN A 92 11.452 15.339 -28.491 1.00 0.00 C ATOM 1327 CG GLN A 92 11.887 16.299 -29.587 1.00 0.00 C ATOM 1328 CD GLN A 92 12.754 15.630 -30.637 1.00 0.00 C ATOM 1329 OE1 GLN A 92 13.719 16.217 -31.127 1.00 0.00 O ATOM 1330 NE2 GLN A 92 12.414 14.395 -30.986 1.00 0.00 N ATOM 0 H GLN A 92 12.881 12.645 -28.050 1.00 0.00 H new ATOM 0 HA GLN A 92 13.519 14.755 -28.349 1.00 0.00 H new ATOM 0 HB2 GLN A 92 10.841 14.551 -28.931 1.00 0.00 H new ATOM 0 HB3 GLN A 92 10.820 15.873 -27.782 1.00 0.00 H new ATOM 0 HG2 GLN A 92 11.004 16.722 -30.066 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.437 17.128 -29.142 1.00 0.00 H new ATOM 0 HE21 GLN A 92 11.606 13.947 -30.554 1.00 0.00 H new ATOM 0 HE22 GLN A 92 12.961 13.894 -31.686 1.00 0.00 H new ATOM 1339 N LYS A 93 13.787 14.941 -25.620 1.00 0.00 N ATOM 1340 CA LYS A 93 14.143 15.585 -24.359 1.00 0.00 C ATOM 1341 C LYS A 93 15.588 16.069 -24.404 1.00 0.00 C ATOM 1342 O LYS A 93 16.438 15.605 -23.642 1.00 0.00 O ATOM 1343 CB LYS A 93 13.940 14.630 -23.178 1.00 0.00 C ATOM 1344 CG LYS A 93 14.773 13.360 -23.259 1.00 0.00 C ATOM 1345 CD LYS A 93 14.211 12.399 -24.296 1.00 0.00 C ATOM 1346 CE LYS A 93 15.235 12.018 -25.360 1.00 0.00 C ATOM 1347 NZ LYS A 93 16.357 12.994 -25.456 1.00 0.00 N ATOM 0 H LYS A 93 14.286 14.071 -25.804 1.00 0.00 H new ATOM 0 HA LYS A 93 13.486 16.443 -24.218 1.00 0.00 H new ATOM 0 HB2 LYS A 93 14.184 15.154 -22.254 1.00 0.00 H new ATOM 0 HB3 LYS A 93 12.886 14.358 -23.121 1.00 0.00 H new ATOM 0 HG2 LYS A 93 15.802 13.613 -23.514 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.796 12.874 -22.284 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.859 11.496 -23.796 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.346 12.855 -24.777 1.00 0.00 H new ATOM 0 HE2 LYS A 93 15.637 11.030 -25.134 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.738 11.946 -26.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 17.005 12.705 -26.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.978 13.939 -25.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 16.873 13.020 -24.553 1.00 0.00 H new ATOM 1361 N TYR A 94 15.858 16.997 -25.315 1.00 0.00 N ATOM 1362 CA TYR A 94 17.198 17.544 -25.482 1.00 0.00 C ATOM 1363 C TYR A 94 17.425 18.748 -24.577 1.00 0.00 C ATOM 1364 O TYR A 94 16.478 19.356 -24.077 1.00 0.00 O ATOM 1365 CB TYR A 94 17.423 17.948 -26.939 1.00 0.00 C ATOM 1366 CG TYR A 94 16.761 19.258 -27.315 1.00 0.00 C ATOM 1367 CD1 TYR A 94 17.277 20.473 -26.879 1.00 0.00 C ATOM 1368 CD2 TYR A 94 15.619 19.276 -28.107 1.00 0.00 C ATOM 1369 CE1 TYR A 94 16.674 21.670 -27.224 1.00 0.00 C ATOM 1370 CE2 TYR A 94 15.012 20.468 -28.455 1.00 0.00 C ATOM 1371 CZ TYR A 94 15.542 21.661 -28.011 1.00 0.00 C ATOM 1372 OH TYR A 94 14.939 22.849 -28.357 1.00 0.00 O ATOM 0 H TYR A 94 15.163 17.387 -25.951 1.00 0.00 H new ATOM 0 HA TYR A 94 17.910 16.768 -25.203 1.00 0.00 H new ATOM 0 HB2 TYR A 94 18.494 18.026 -27.124 1.00 0.00 H new ATOM 0 HB3 TYR A 94 17.044 17.159 -27.589 1.00 0.00 H new ATOM 0 HD1 TYR A 94 18.163 20.483 -26.261 1.00 0.00 H new ATOM 0 HD2 TYR A 94 15.199 18.344 -28.456 1.00 0.00 H new ATOM 0 HE1 TYR A 94 17.088 22.606 -26.879 1.00 0.00 H new ATOM 0 HE2 TYR A 94 14.126 20.465 -29.072 1.00 0.00 H new ATOM 0 HH TYR A 94 14.154 22.667 -28.915 1.00 0.00 H new ATOM 1382 N SER A 95 18.693 19.091 -24.386 1.00 0.00 N ATOM 1383 CA SER A 95 19.069 20.230 -23.559 1.00 0.00 C ATOM 1384 C SER A 95 20.029 21.131 -24.324 1.00 0.00 C ATOM 1385 O SER A 95 20.528 20.753 -25.381 1.00 0.00 O ATOM 1386 CB SER A 95 19.718 19.755 -22.257 1.00 0.00 C ATOM 1387 OG SER A 95 19.430 18.389 -22.013 1.00 0.00 O ATOM 0 H SER A 95 19.483 18.592 -24.796 1.00 0.00 H new ATOM 0 HA SER A 95 18.170 20.795 -23.312 1.00 0.00 H new ATOM 0 HB2 SER A 95 20.797 19.898 -22.311 1.00 0.00 H new ATOM 0 HB3 SER A 95 19.358 20.360 -21.425 1.00 0.00 H new ATOM 0 HG SER A 95 20.056 17.828 -22.517 1.00 0.00 H new ATOM 1393 N PHE A 96 20.281 22.323 -23.796 1.00 0.00 N ATOM 1394 CA PHE A 96 21.181 23.263 -24.452 1.00 0.00 C ATOM 1395 C PHE A 96 22.605 23.122 -23.925 1.00 0.00 C ATOM 1396 O PHE A 96 22.884 22.267 -23.085 1.00 0.00 O ATOM 1397 CB PHE A 96 20.687 24.697 -24.261 1.00 0.00 C ATOM 1398 CG PHE A 96 19.599 25.082 -25.223 1.00 0.00 C ATOM 1399 CD1 PHE A 96 19.649 24.667 -26.544 1.00 0.00 C ATOM 1400 CD2 PHE A 96 18.525 25.852 -24.806 1.00 0.00 C ATOM 1401 CE1 PHE A 96 18.649 25.013 -27.432 1.00 0.00 C ATOM 1402 CE2 PHE A 96 17.522 26.202 -25.690 1.00 0.00 C ATOM 1403 CZ PHE A 96 17.585 25.781 -27.004 1.00 0.00 C ATOM 0 H PHE A 96 19.878 22.660 -22.922 1.00 0.00 H new ATOM 0 HA PHE A 96 21.189 23.031 -25.517 1.00 0.00 H new ATOM 0 HB2 PHE A 96 20.320 24.815 -23.241 1.00 0.00 H new ATOM 0 HB3 PHE A 96 21.526 25.382 -24.379 1.00 0.00 H new ATOM 0 HD1 PHE A 96 20.480 24.066 -26.883 1.00 0.00 H new ATOM 0 HD2 PHE A 96 18.471 26.182 -23.779 1.00 0.00 H new ATOM 0 HE1 PHE A 96 18.700 24.683 -28.459 1.00 0.00 H new ATOM 0 HE2 PHE A 96 16.690 26.804 -25.354 1.00 0.00 H new ATOM 0 HZ PHE A 96 16.802 26.053 -27.696 1.00 0.00 H new ATOM 1413 N CYS A 97 23.503 23.962 -24.428 1.00 0.00 N ATOM 1414 CA CYS A 97 24.899 23.925 -24.008 1.00 0.00 C ATOM 1415 C CYS A 97 25.551 25.297 -24.148 1.00 0.00 C ATOM 1416 O CYS A 97 25.728 25.802 -25.256 1.00 0.00 O ATOM 1417 CB CYS A 97 25.673 22.896 -24.832 1.00 0.00 C ATOM 1418 SG CYS A 97 25.978 21.324 -23.963 1.00 0.00 S ATOM 0 H CYS A 97 23.290 24.675 -25.125 1.00 0.00 H new ATOM 0 HA CYS A 97 24.926 23.637 -22.957 1.00 0.00 H new ATOM 0 HB2 CYS A 97 25.120 22.691 -25.749 1.00 0.00 H new ATOM 0 HB3 CYS A 97 26.630 23.328 -25.126 1.00 0.00 H new ATOM 1423 N THR A 98 25.909 25.891 -23.017 1.00 0.00 N ATOM 1424 CA THR A 98 26.546 27.201 -23.006 1.00 0.00 C ATOM 1425 C THR A 98 27.869 27.176 -23.768 1.00 0.00 C ATOM 1426 O THR A 98 28.196 26.185 -24.421 1.00 0.00 O ATOM 1427 CB THR A 98 26.801 27.678 -21.565 1.00 0.00 C ATOM 1428 OG1 THR A 98 27.014 26.551 -20.707 1.00 0.00 O ATOM 1429 CG2 THR A 98 25.626 28.492 -21.052 1.00 0.00 C ATOM 0 H THR A 98 25.768 25.484 -22.092 1.00 0.00 H new ATOM 0 HA THR A 98 25.865 27.895 -23.498 1.00 0.00 H new ATOM 0 HB THR A 98 27.690 28.309 -21.566 1.00 0.00 H new ATOM 0 HG1 THR A 98 27.177 26.862 -19.792 1.00 0.00 H new ATOM 0 HG21 THR A 98 25.828 28.819 -20.032 1.00 0.00 H new ATOM 0 HG22 THR A 98 25.481 29.364 -21.690 1.00 0.00 H new ATOM 0 HG23 THR A 98 24.725 27.879 -21.065 1.00 0.00 H new