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 102:sc= 0.629 USER MOD Set 1.2: A 92 GLN : amide:sc= -0.0378 K(o=0.59,f=-0.75) USER MOD Set 2.1: A 51 SER OG : rot 101:sc= -1.75! USER MOD Set 2.2: A 84 THR OG1 : rot -27:sc= -1.28! USER MOD Set 3.1: A 3 HIS :FLIP no HD1:sc= -1.8! C(o=-3.6!,f=-1.8!) USER MOD Set 3.2: A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.388 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl 167:sc= -0.266 (180deg=-0.495) USER MOD Single : A 17 GLN : amide:sc= -0.387 X(o=-0.39,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0593 K(o=-0.059,f=-1.6!) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -2.05! USER MOD Single : A 34 ASN : amide:sc= -3.96! C(o=-4!,f=-9.1!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0.298 K(o=0.3,f=-1.5) USER MOD Single : A 52 ASN :FLIP amide:sc= -1.28! C(o=-1.9!,f=-1.3!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 36:sc= -3.29! USER MOD Single : A 63 ASN : amide:sc= -0.603 K(o=-0.6,f=-2.7!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot -167:sc= 0.262 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 177:sc= 0.147 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= -0.688 K(o=-0.69,f=-2.4) USER MOD Single : A 83 SER OG : rot -107:sc= -0.478! USER MOD Single : A 85 THR OG1 : rot 176:sc= 0.0127 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 70:sc= -1.29! USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 48.559 5.184 -38.048 1.00 0.00 N ATOM 32 CA HIS A 3 47.949 4.059 -37.350 1.00 0.00 C ATOM 33 C HIS A 3 48.326 4.070 -35.872 1.00 0.00 C ATOM 34 O HIS A 3 49.422 3.652 -35.499 1.00 0.00 O ATOM 35 CB HIS A 3 48.385 2.741 -37.989 1.00 0.00 C ATOM 36 CG HIS A 3 47.245 1.913 -38.493 1.00 0.00 C ATOM 37 ND1 HIS A 3 45.970 1.796 -38.050 1.00 0.00 N flip ATOM 38 CD2 HIS A 3 47.348 1.074 -39.582 1.00 0.00 C flip ATOM 39 CE1 HIS A 3 45.335 0.898 -38.871 1.00 0.00 C flip ATOM 40 NE2 HIS A 3 46.186 0.478 -39.787 1.00 0.00 N flip ATOM 0 HA HIS A 3 46.866 4.154 -37.432 1.00 0.00 H new ATOM 0 HB2 HIS A 3 49.062 2.955 -38.816 1.00 0.00 H new ATOM 0 HB3 HIS A 3 48.949 2.161 -37.258 1.00 0.00 H new ATOM 0 HD2 HIS A 3 48.239 0.927 -40.175 1.00 0.00 H new ATOM 0 HE1 HIS A 3 44.305 0.586 -38.781 1.00 0.00 H new ATOM 0 HE2 HIS A 3 45.982 -0.193 -40.528 1.00 0.00 H new ATOM 49 N CYS A 4 47.414 4.552 -35.032 1.00 0.00 N ATOM 50 CA CYS A 4 47.659 4.616 -33.597 1.00 0.00 C ATOM 51 C CYS A 4 47.029 3.429 -32.878 1.00 0.00 C ATOM 52 O CYS A 4 46.341 2.611 -33.489 1.00 0.00 O ATOM 53 CB CYS A 4 47.114 5.923 -33.021 1.00 0.00 C ATOM 54 SG CYS A 4 48.145 7.380 -33.381 1.00 0.00 S ATOM 0 H CYS A 4 46.501 4.903 -35.321 1.00 0.00 H new ATOM 0 HA CYS A 4 48.737 4.579 -33.440 1.00 0.00 H new ATOM 0 HB2 CYS A 4 46.113 6.093 -33.417 1.00 0.00 H new ATOM 0 HB3 CYS A 4 47.016 5.819 -31.940 1.00 0.00 H new ATOM 59 N VAL A 5 47.271 3.344 -31.574 1.00 0.00 N ATOM 60 CA VAL A 5 46.732 2.259 -30.763 1.00 0.00 C ATOM 61 C VAL A 5 46.628 2.671 -29.299 1.00 0.00 C ATOM 62 O VAL A 5 47.341 3.564 -28.843 1.00 0.00 O ATOM 63 CB VAL A 5 47.604 0.994 -30.868 1.00 0.00 C ATOM 64 CG1 VAL A 5 46.768 -0.253 -30.621 1.00 0.00 C ATOM 65 CG2 VAL A 5 48.288 0.926 -32.225 1.00 0.00 C ATOM 0 H VAL A 5 47.838 4.015 -31.056 1.00 0.00 H new ATOM 0 HA VAL A 5 45.737 2.038 -31.148 1.00 0.00 H new ATOM 0 HB VAL A 5 48.377 1.044 -30.101 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.401 -1.137 -30.699 1.00 0.00 H new ATOM 0 HG12 VAL A 5 46.331 -0.207 -29.623 1.00 0.00 H new ATOM 0 HG13 VAL A 5 45.972 -0.310 -31.363 1.00 0.00 H new ATOM 0 HG21 VAL A 5 48.899 0.025 -32.280 1.00 0.00 H new ATOM 0 HG22 VAL A 5 47.534 0.901 -33.012 1.00 0.00 H new ATOM 0 HG23 VAL A 5 48.921 1.803 -32.357 1.00 0.00 H new ATOM 75 N THR A 6 45.733 2.014 -28.566 1.00 0.00 N ATOM 76 CA THR A 6 45.535 2.314 -27.153 1.00 0.00 C ATOM 77 C THR A 6 46.359 1.386 -26.266 1.00 0.00 C ATOM 78 O THR A 6 46.256 1.431 -25.040 1.00 0.00 O ATOM 79 CB THR A 6 44.052 2.197 -26.754 1.00 0.00 C ATOM 80 OG1 THR A 6 43.702 0.818 -26.574 1.00 0.00 O ATOM 81 CG2 THR A 6 43.157 2.819 -27.817 1.00 0.00 C ATOM 0 H THR A 6 45.135 1.271 -28.928 1.00 0.00 H new ATOM 0 HA THR A 6 45.866 3.342 -27.005 1.00 0.00 H new ATOM 0 HB THR A 6 43.905 2.734 -25.817 1.00 0.00 H new ATOM 0 HG1 THR A 6 42.758 0.751 -26.319 1.00 0.00 H new ATOM 0 HG21 THR A 6 42.114 2.725 -27.515 1.00 0.00 H new ATOM 0 HG22 THR A 6 43.408 3.873 -27.932 1.00 0.00 H new ATOM 0 HG23 THR A 6 43.307 2.304 -28.766 1.00 0.00 H new ATOM 89 N ASP A 7 47.179 0.547 -26.892 1.00 0.00 N ATOM 90 CA ASP A 7 48.020 -0.389 -26.156 1.00 0.00 C ATOM 91 C ASP A 7 47.197 -1.552 -25.606 1.00 0.00 C ATOM 92 O ASP A 7 47.733 -2.450 -24.956 1.00 0.00 O ATOM 93 CB ASP A 7 48.735 0.329 -25.011 1.00 0.00 C ATOM 94 CG ASP A 7 50.241 0.346 -25.188 1.00 0.00 C ATOM 95 OD1 ASP A 7 50.723 -0.154 -26.226 1.00 0.00 O ATOM 96 OD2 ASP A 7 50.938 0.860 -24.288 1.00 0.00 O ATOM 0 H ASP A 7 47.278 0.497 -27.906 1.00 0.00 H new ATOM 0 HA ASP A 7 48.762 -0.790 -26.847 1.00 0.00 H new ATOM 0 HB2 ASP A 7 48.369 1.353 -24.943 1.00 0.00 H new ATOM 0 HB3 ASP A 7 48.488 -0.161 -24.069 1.00 0.00 H new ATOM 101 N SER A 8 45.893 -1.533 -25.873 1.00 0.00 N ATOM 102 CA SER A 8 45.002 -2.588 -25.404 1.00 0.00 C ATOM 103 C SER A 8 44.745 -3.612 -26.506 1.00 0.00 C ATOM 104 O SER A 8 44.459 -4.776 -26.229 1.00 0.00 O ATOM 105 CB SER A 8 43.676 -1.990 -24.927 1.00 0.00 C ATOM 106 OG SER A 8 43.369 -2.415 -23.611 1.00 0.00 O ATOM 0 H SER A 8 45.432 -0.799 -26.411 1.00 0.00 H new ATOM 0 HA SER A 8 45.486 -3.094 -24.568 1.00 0.00 H new ATOM 0 HB2 SER A 8 43.732 -0.902 -24.957 1.00 0.00 H new ATOM 0 HB3 SER A 8 42.875 -2.287 -25.604 1.00 0.00 H new ATOM 0 HG SER A 8 42.519 -2.018 -23.329 1.00 0.00 H new ATOM 112 N GLY A 9 44.849 -3.168 -27.754 1.00 0.00 N ATOM 113 CA GLY A 9 44.625 -4.057 -28.878 1.00 0.00 C ATOM 114 C GLY A 9 43.978 -3.353 -30.056 1.00 0.00 C ATOM 115 O GLY A 9 44.068 -3.819 -31.191 1.00 0.00 O ATOM 0 H GLY A 9 45.084 -2.208 -28.007 1.00 0.00 H new ATOM 0 HA2 GLY A 9 45.576 -4.486 -29.193 1.00 0.00 H new ATOM 0 HA3 GLY A 9 43.991 -4.885 -28.561 1.00 0.00 H new ATOM 119 N VAL A 10 43.323 -2.228 -29.785 1.00 0.00 N ATOM 120 CA VAL A 10 42.659 -1.459 -30.831 1.00 0.00 C ATOM 121 C VAL A 10 43.630 -0.497 -31.506 1.00 0.00 C ATOM 122 O VAL A 10 44.271 0.319 -30.844 1.00 0.00 O ATOM 123 CB VAL A 10 41.469 -0.658 -30.270 1.00 0.00 C ATOM 124 CG1 VAL A 10 40.648 -0.059 -31.401 1.00 0.00 C ATOM 125 CG2 VAL A 10 40.603 -1.540 -29.382 1.00 0.00 C ATOM 0 H VAL A 10 43.238 -1.829 -28.850 1.00 0.00 H new ATOM 0 HA VAL A 10 42.292 -2.176 -31.565 1.00 0.00 H new ATOM 0 HB VAL A 10 41.858 0.159 -29.663 1.00 0.00 H new ATOM 0 HG11 VAL A 10 39.812 0.503 -30.985 1.00 0.00 H new ATOM 0 HG12 VAL A 10 41.275 0.608 -31.992 1.00 0.00 H new ATOM 0 HG13 VAL A 10 40.267 -0.858 -32.037 1.00 0.00 H new ATOM 0 HG21 VAL A 10 39.767 -0.957 -28.995 1.00 0.00 H new ATOM 0 HG22 VAL A 10 40.222 -2.379 -29.964 1.00 0.00 H new ATOM 0 HG23 VAL A 10 41.199 -1.916 -28.551 1.00 0.00 H new ATOM 135 N VAL A 11 43.733 -0.600 -32.827 1.00 0.00 N ATOM 136 CA VAL A 11 44.628 0.260 -33.592 1.00 0.00 C ATOM 137 C VAL A 11 43.861 1.392 -34.267 1.00 0.00 C ATOM 138 O VAL A 11 43.374 1.242 -35.388 1.00 0.00 O ATOM 139 CB VAL A 11 45.390 -0.539 -34.668 1.00 0.00 C ATOM 140 CG1 VAL A 11 46.410 0.344 -35.368 1.00 0.00 C ATOM 141 CG2 VAL A 11 46.061 -1.757 -34.051 1.00 0.00 C ATOM 0 H VAL A 11 43.208 -1.270 -33.389 1.00 0.00 H new ATOM 0 HA VAL A 11 45.343 0.680 -32.885 1.00 0.00 H new ATOM 0 HB VAL A 11 44.674 -0.885 -35.413 1.00 0.00 H new ATOM 0 HG11 VAL A 11 46.937 -0.238 -36.124 1.00 0.00 H new ATOM 0 HG12 VAL A 11 45.900 1.181 -35.845 1.00 0.00 H new ATOM 0 HG13 VAL A 11 47.125 0.723 -34.638 1.00 0.00 H new ATOM 0 HG21 VAL A 11 46.594 -2.310 -34.825 1.00 0.00 H new ATOM 0 HG22 VAL A 11 46.765 -1.435 -33.284 1.00 0.00 H new ATOM 0 HG23 VAL A 11 45.305 -2.400 -33.602 1.00 0.00 H new ATOM 151 N TYR A 12 43.760 2.525 -33.580 1.00 0.00 N ATOM 152 CA TYR A 12 43.055 3.682 -34.119 1.00 0.00 C ATOM 153 C TYR A 12 43.948 4.461 -35.075 1.00 0.00 C ATOM 154 O TYR A 12 45.050 4.865 -34.716 1.00 0.00 O ATOM 155 CB TYR A 12 42.596 4.608 -32.994 1.00 0.00 C ATOM 156 CG TYR A 12 41.450 4.061 -32.177 1.00 0.00 C ATOM 157 CD1 TYR A 12 40.170 3.979 -32.710 1.00 0.00 C ATOM 158 CD2 TYR A 12 41.649 3.631 -30.872 1.00 0.00 C ATOM 159 CE1 TYR A 12 39.118 3.484 -31.964 1.00 0.00 C ATOM 160 CE2 TYR A 12 40.602 3.134 -30.119 1.00 0.00 C ATOM 161 CZ TYR A 12 39.339 3.062 -30.668 1.00 0.00 C ATOM 162 OH TYR A 12 38.295 2.569 -29.922 1.00 0.00 O ATOM 0 H TYR A 12 44.156 2.667 -32.651 1.00 0.00 H new ATOM 0 HA TYR A 12 42.183 3.315 -34.661 1.00 0.00 H new ATOM 0 HB2 TYR A 12 43.439 4.804 -32.332 1.00 0.00 H new ATOM 0 HB3 TYR A 12 42.298 5.565 -33.423 1.00 0.00 H new ATOM 0 HD1 TYR A 12 39.994 4.307 -33.724 1.00 0.00 H new ATOM 0 HD2 TYR A 12 42.637 3.686 -30.439 1.00 0.00 H new ATOM 0 HE1 TYR A 12 38.128 3.427 -32.392 1.00 0.00 H new ATOM 0 HE2 TYR A 12 40.772 2.803 -29.105 1.00 0.00 H new ATOM 0 HH TYR A 12 38.620 2.315 -29.033 1.00 0.00 H new ATOM 172 N SER A 13 43.463 4.673 -36.292 1.00 0.00 N ATOM 173 CA SER A 13 44.224 5.409 -37.293 1.00 0.00 C ATOM 174 C SER A 13 44.335 6.882 -36.921 1.00 0.00 C ATOM 175 O SER A 13 43.742 7.332 -35.941 1.00 0.00 O ATOM 176 CB SER A 13 43.568 5.265 -38.662 1.00 0.00 C ATOM 177 OG SER A 13 44.415 4.578 -39.567 1.00 0.00 O ATOM 0 H SER A 13 42.550 4.347 -36.609 1.00 0.00 H new ATOM 0 HA SER A 13 45.229 4.989 -37.331 1.00 0.00 H new ATOM 0 HB2 SER A 13 42.626 4.726 -38.562 1.00 0.00 H new ATOM 0 HB3 SER A 13 43.330 6.252 -39.060 1.00 0.00 H new ATOM 0 HG SER A 13 43.969 4.498 -40.436 1.00 0.00 H new ATOM 183 N VAL A 14 45.101 7.626 -37.710 1.00 0.00 N ATOM 184 CA VAL A 14 45.293 9.048 -37.465 1.00 0.00 C ATOM 185 C VAL A 14 44.097 9.856 -37.950 1.00 0.00 C ATOM 186 O VAL A 14 44.116 10.417 -39.046 1.00 0.00 O ATOM 187 CB VAL A 14 46.566 9.573 -38.154 1.00 0.00 C ATOM 188 CG1 VAL A 14 46.456 9.426 -39.664 1.00 0.00 C ATOM 189 CG2 VAL A 14 46.824 11.022 -37.770 1.00 0.00 C ATOM 0 H VAL A 14 45.599 7.267 -38.525 1.00 0.00 H new ATOM 0 HA VAL A 14 45.398 9.169 -36.387 1.00 0.00 H new ATOM 0 HB VAL A 14 47.412 8.976 -37.814 1.00 0.00 H new ATOM 0 HG11 VAL A 14 47.365 9.802 -40.133 1.00 0.00 H new ATOM 0 HG12 VAL A 14 46.325 8.374 -39.919 1.00 0.00 H new ATOM 0 HG13 VAL A 14 45.599 9.996 -40.024 1.00 0.00 H new ATOM 0 HG21 VAL A 14 47.728 11.375 -38.267 1.00 0.00 H new ATOM 0 HG22 VAL A 14 45.978 11.636 -38.077 1.00 0.00 H new ATOM 0 HG23 VAL A 14 46.952 11.095 -36.690 1.00 0.00 H new ATOM 199 N GLY A 15 43.061 9.913 -37.124 1.00 0.00 N ATOM 200 CA GLY A 15 41.870 10.659 -37.483 1.00 0.00 C ATOM 201 C GLY A 15 40.586 9.906 -37.191 1.00 0.00 C ATOM 202 O GLY A 15 39.502 10.361 -37.553 1.00 0.00 O ATOM 0 H GLY A 15 43.023 9.457 -36.213 1.00 0.00 H new ATOM 0 HA2 GLY A 15 41.862 11.603 -36.939 1.00 0.00 H new ATOM 0 HA3 GLY A 15 41.908 10.903 -38.545 1.00 0.00 H new ATOM 206 N MET A 16 40.700 8.756 -36.533 1.00 0.00 N ATOM 207 CA MET A 16 39.529 7.956 -36.199 1.00 0.00 C ATOM 208 C MET A 16 38.990 8.341 -34.827 1.00 0.00 C ATOM 209 O MET A 16 38.678 7.473 -34.013 1.00 0.00 O ATOM 210 CB MET A 16 39.876 6.467 -36.227 1.00 0.00 C ATOM 211 CG MET A 16 38.792 5.603 -36.851 1.00 0.00 C ATOM 212 SD MET A 16 37.977 4.534 -35.651 1.00 0.00 S ATOM 213 CE MET A 16 39.015 3.077 -35.736 1.00 0.00 C ATOM 0 H MET A 16 41.587 8.360 -36.222 1.00 0.00 H new ATOM 0 HA MET A 16 38.757 8.152 -36.943 1.00 0.00 H new ATOM 0 HB2 MET A 16 40.804 6.329 -36.782 1.00 0.00 H new ATOM 0 HB3 MET A 16 40.060 6.126 -35.208 1.00 0.00 H new ATOM 0 HG2 MET A 16 38.048 6.245 -37.323 1.00 0.00 H new ATOM 0 HG3 MET A 16 39.230 4.990 -37.639 1.00 0.00 H new ATOM 0 HE1 MET A 16 38.787 2.419 -34.898 1.00 0.00 H new ATOM 0 HE2 MET A 16 38.828 2.551 -36.672 1.00 0.00 H new ATOM 0 HE3 MET A 16 40.063 3.374 -35.690 1.00 0.00 H new ATOM 223 N GLN A 17 38.891 9.650 -34.584 1.00 0.00 N ATOM 224 CA GLN A 17 38.395 10.177 -33.311 1.00 0.00 C ATOM 225 C GLN A 17 37.480 9.181 -32.612 1.00 0.00 C ATOM 226 O GLN A 17 36.359 8.936 -33.056 1.00 0.00 O ATOM 227 CB GLN A 17 37.649 11.492 -33.536 1.00 0.00 C ATOM 228 CG GLN A 17 38.532 12.721 -33.416 1.00 0.00 C ATOM 229 CD GLN A 17 37.739 14.013 -33.431 1.00 0.00 C ATOM 230 OE1 GLN A 17 37.668 14.700 -34.450 1.00 0.00 O ATOM 231 NE2 GLN A 17 37.134 14.349 -32.297 1.00 0.00 N ATOM 0 H GLN A 17 39.150 10.370 -35.259 1.00 0.00 H new ATOM 0 HA GLN A 17 39.258 10.354 -32.670 1.00 0.00 H new ATOM 0 HB2 GLN A 17 37.194 11.477 -34.527 1.00 0.00 H new ATOM 0 HB3 GLN A 17 36.836 11.567 -32.813 1.00 0.00 H new ATOM 0 HG2 GLN A 17 39.106 12.662 -32.491 1.00 0.00 H new ATOM 0 HG3 GLN A 17 39.249 12.730 -34.237 1.00 0.00 H new ATOM 0 HE21 GLN A 17 37.220 13.750 -31.476 1.00 0.00 H new ATOM 0 HE22 GLN A 17 36.584 15.206 -32.247 1.00 0.00 H new ATOM 240 N TRP A 18 37.967 8.608 -31.518 1.00 0.00 N ATOM 241 CA TRP A 18 37.189 7.635 -30.763 1.00 0.00 C ATOM 242 C TRP A 18 36.938 8.114 -29.337 1.00 0.00 C ATOM 243 O TRP A 18 37.219 9.264 -28.997 1.00 0.00 O ATOM 244 CB TRP A 18 37.899 6.282 -30.749 1.00 0.00 C ATOM 245 CG TRP A 18 39.209 6.304 -30.028 1.00 0.00 C ATOM 246 CD1 TRP A 18 39.428 5.979 -28.721 1.00 0.00 C ATOM 247 CD2 TRP A 18 40.483 6.673 -30.571 1.00 0.00 C ATOM 248 NE1 TRP A 18 40.756 6.118 -28.419 1.00 0.00 N ATOM 249 CE2 TRP A 18 41.429 6.542 -29.537 1.00 0.00 C ATOM 250 CE3 TRP A 18 40.916 7.098 -31.830 1.00 0.00 C ATOM 251 CZ2 TRP A 18 42.782 6.822 -29.727 1.00 0.00 C ATOM 252 CZ3 TRP A 18 42.256 7.376 -32.016 1.00 0.00 C ATOM 253 CH2 TRP A 18 43.175 7.236 -30.973 1.00 0.00 C ATOM 0 H TRP A 18 38.893 8.799 -31.136 1.00 0.00 H new ATOM 0 HA TRP A 18 36.223 7.523 -31.256 1.00 0.00 H new ATOM 0 HB2 TRP A 18 37.248 5.544 -30.281 1.00 0.00 H new ATOM 0 HB3 TRP A 18 38.064 5.956 -31.776 1.00 0.00 H new ATOM 0 HD1 TRP A 18 38.665 5.659 -28.026 1.00 0.00 H new ATOM 0 HE1 TRP A 18 41.178 5.936 -27.508 1.00 0.00 H new ATOM 0 HE3 TRP A 18 40.214 7.207 -32.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 43.494 6.716 -28.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 42.600 7.707 -32.985 1.00 0.00 H new ATOM 0 HH2 TRP A 18 44.216 7.459 -31.152 1.00 0.00 H new ATOM 264 N LEU A 19 36.401 7.221 -28.511 1.00 0.00 N ATOM 265 CA LEU A 19 36.093 7.534 -27.119 1.00 0.00 C ATOM 266 C LEU A 19 36.734 6.518 -26.188 1.00 0.00 C ATOM 267 O LEU A 19 36.464 5.321 -26.282 1.00 0.00 O ATOM 268 CB LEU A 19 34.575 7.537 -26.897 1.00 0.00 C ATOM 269 CG LEU A 19 33.826 8.797 -27.348 1.00 0.00 C ATOM 270 CD1 LEU A 19 33.396 9.623 -26.149 1.00 0.00 C ATOM 271 CD2 LEU A 19 34.677 9.639 -28.282 1.00 0.00 C ATOM 0 H LEU A 19 36.168 6.266 -28.785 1.00 0.00 H new ATOM 0 HA LEU A 19 36.494 8.523 -26.898 1.00 0.00 H new ATOM 0 HB2 LEU A 19 34.151 6.681 -27.421 1.00 0.00 H new ATOM 0 HB3 LEU A 19 34.384 7.387 -25.834 1.00 0.00 H new ATOM 0 HG LEU A 19 32.938 8.476 -27.892 1.00 0.00 H new ATOM 0 HD11 LEU A 19 32.866 10.512 -26.491 1.00 0.00 H new ATOM 0 HD12 LEU A 19 32.737 9.029 -25.516 1.00 0.00 H new ATOM 0 HD13 LEU A 19 34.276 9.921 -25.578 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.118 10.525 -28.584 1.00 0.00 H new ATOM 0 HD22 LEU A 19 35.589 9.943 -27.768 1.00 0.00 H new ATOM 0 HD23 LEU A 19 34.935 9.054 -29.165 1.00 0.00 H new ATOM 283 N LYS A 20 37.579 6.995 -25.286 1.00 0.00 N ATOM 284 CA LYS A 20 38.247 6.111 -24.342 1.00 0.00 C ATOM 285 C LYS A 20 37.809 6.410 -22.911 1.00 0.00 C ATOM 286 O LYS A 20 37.833 7.559 -22.469 1.00 0.00 O ATOM 287 CB LYS A 20 39.767 6.226 -24.490 1.00 0.00 C ATOM 288 CG LYS A 20 40.424 7.170 -23.497 1.00 0.00 C ATOM 289 CD LYS A 20 41.930 6.985 -23.487 1.00 0.00 C ATOM 290 CE LYS A 20 42.319 5.686 -22.805 1.00 0.00 C ATOM 291 NZ LYS A 20 43.466 5.022 -23.485 1.00 0.00 N ATOM 0 H LYS A 20 37.817 7.982 -25.188 1.00 0.00 H new ATOM 0 HA LYS A 20 37.959 5.084 -24.567 1.00 0.00 H new ATOM 0 HB2 LYS A 20 40.207 5.235 -24.377 1.00 0.00 H new ATOM 0 HB3 LYS A 20 39.997 6.563 -25.501 1.00 0.00 H new ATOM 0 HG2 LYS A 20 40.182 8.201 -23.755 1.00 0.00 H new ATOM 0 HG3 LYS A 20 40.025 6.989 -22.499 1.00 0.00 H new ATOM 0 HD2 LYS A 20 42.306 6.989 -24.510 1.00 0.00 H new ATOM 0 HD3 LYS A 20 42.399 7.824 -22.972 1.00 0.00 H new ATOM 0 HE2 LYS A 20 42.580 5.886 -21.766 1.00 0.00 H new ATOM 0 HE3 LYS A 20 41.463 5.011 -22.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 43.700 4.139 -22.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 43.209 4.808 -24.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 44.291 5.655 -23.472 1.00 0.00 H new ATOM 379 N GLN A 26 35.625 9.474 -19.121 1.00 0.00 N ATOM 380 CA GLN A 26 35.362 9.641 -20.546 1.00 0.00 C ATOM 381 C GLN A 26 36.398 10.568 -21.170 1.00 0.00 C ATOM 382 O GLN A 26 36.447 11.757 -20.857 1.00 0.00 O ATOM 383 CB GLN A 26 33.955 10.204 -20.765 1.00 0.00 C ATOM 384 CG GLN A 26 32.956 9.773 -19.704 1.00 0.00 C ATOM 385 CD GLN A 26 31.725 10.656 -19.670 1.00 0.00 C ATOM 386 OE1 GLN A 26 31.631 11.637 -20.410 1.00 0.00 O ATOM 387 NE2 GLN A 26 30.773 10.314 -18.810 1.00 0.00 N ATOM 0 HA GLN A 26 35.429 8.665 -21.027 1.00 0.00 H new ATOM 0 HB2 GLN A 26 34.007 11.293 -20.783 1.00 0.00 H new ATOM 0 HB3 GLN A 26 33.594 9.886 -21.743 1.00 0.00 H new ATOM 0 HG2 GLN A 26 32.654 8.742 -19.891 1.00 0.00 H new ATOM 0 HG3 GLN A 26 33.439 9.791 -18.727 1.00 0.00 H new ATOM 0 HE21 GLN A 26 30.893 9.493 -18.216 1.00 0.00 H new ATOM 0 HE22 GLN A 26 29.922 10.872 -18.743 1.00 0.00 H new ATOM 396 N MET A 27 37.233 10.017 -22.045 1.00 0.00 N ATOM 397 CA MET A 27 38.274 10.804 -22.694 1.00 0.00 C ATOM 398 C MET A 27 38.238 10.646 -24.211 1.00 0.00 C ATOM 399 O MET A 27 38.425 9.550 -24.739 1.00 0.00 O ATOM 400 CB MET A 27 39.649 10.400 -22.161 1.00 0.00 C ATOM 401 CG MET A 27 40.440 11.561 -21.581 1.00 0.00 C ATOM 402 SD MET A 27 42.220 11.364 -21.793 1.00 0.00 S ATOM 403 CE MET A 27 42.701 10.847 -20.146 1.00 0.00 C ATOM 0 H MET A 27 37.209 9.035 -22.319 1.00 0.00 H new ATOM 0 HA MET A 27 38.088 11.853 -22.462 1.00 0.00 H new ATOM 0 HB2 MET A 27 39.522 9.637 -21.393 1.00 0.00 H new ATOM 0 HB3 MET A 27 40.224 9.946 -22.968 1.00 0.00 H new ATOM 0 HG2 MET A 27 40.121 12.487 -22.059 1.00 0.00 H new ATOM 0 HG3 MET A 27 40.213 11.656 -20.519 1.00 0.00 H new ATOM 0 HE1 MET A 27 43.778 10.685 -20.116 1.00 0.00 H new ATOM 0 HE2 MET A 27 42.430 11.621 -19.428 1.00 0.00 H new ATOM 0 HE3 MET A 27 42.187 9.920 -19.891 1.00 0.00 H new ATOM 413 N LEU A 28 38.011 11.758 -24.901 1.00 0.00 N ATOM 414 CA LEU A 28 37.965 11.768 -26.359 1.00 0.00 C ATOM 415 C LEU A 28 39.372 11.714 -26.930 1.00 0.00 C ATOM 416 O LEU A 28 40.138 12.655 -26.768 1.00 0.00 O ATOM 417 CB LEU A 28 37.264 13.028 -26.849 1.00 0.00 C ATOM 418 CG LEU A 28 36.194 12.774 -27.893 1.00 0.00 C ATOM 419 CD1 LEU A 28 34.812 12.871 -27.268 1.00 0.00 C ATOM 420 CD2 LEU A 28 36.333 13.745 -29.055 1.00 0.00 C ATOM 0 H LEU A 28 37.855 12.670 -24.471 1.00 0.00 H new ATOM 0 HA LEU A 28 37.410 10.892 -26.696 1.00 0.00 H new ATOM 0 HB2 LEU A 28 36.812 13.534 -25.996 1.00 0.00 H new ATOM 0 HB3 LEU A 28 38.009 13.707 -27.265 1.00 0.00 H new ATOM 0 HG LEU A 28 36.324 11.764 -28.283 1.00 0.00 H new ATOM 0 HD11 LEU A 28 34.054 12.686 -28.030 1.00 0.00 H new ATOM 0 HD12 LEU A 28 34.718 12.129 -26.475 1.00 0.00 H new ATOM 0 HD13 LEU A 28 34.671 13.868 -26.850 1.00 0.00 H new ATOM 0 HD21 LEU A 28 35.555 13.544 -29.792 1.00 0.00 H new ATOM 0 HD22 LEU A 28 36.232 14.767 -28.689 1.00 0.00 H new ATOM 0 HD23 LEU A 28 37.312 13.621 -29.518 1.00 0.00 H new ATOM 432 N CYS A 29 39.712 10.613 -27.589 1.00 0.00 N ATOM 433 CA CYS A 29 41.049 10.457 -28.159 1.00 0.00 C ATOM 434 C CYS A 29 41.098 10.824 -29.638 1.00 0.00 C ATOM 435 O CYS A 29 40.144 10.599 -30.384 1.00 0.00 O ATOM 436 CB CYS A 29 41.544 9.027 -27.963 1.00 0.00 C ATOM 437 SG CYS A 29 42.211 8.697 -26.301 1.00 0.00 S ATOM 0 H CYS A 29 39.089 9.820 -27.742 1.00 0.00 H new ATOM 0 HA CYS A 29 41.704 11.149 -27.629 1.00 0.00 H new ATOM 0 HB2 CYS A 29 40.721 8.339 -28.157 1.00 0.00 H new ATOM 0 HB3 CYS A 29 42.317 8.816 -28.702 1.00 0.00 H new ATOM 442 N THR A 30 42.235 11.385 -30.047 1.00 0.00 N ATOM 443 CA THR A 30 42.450 11.788 -31.434 1.00 0.00 C ATOM 444 C THR A 30 43.897 11.543 -31.854 1.00 0.00 C ATOM 445 O THR A 30 44.811 12.207 -31.367 1.00 0.00 O ATOM 446 CB THR A 30 42.124 13.279 -31.648 1.00 0.00 C ATOM 447 OG1 THR A 30 40.717 13.504 -31.494 1.00 0.00 O ATOM 448 CG2 THR A 30 42.570 13.733 -33.030 1.00 0.00 C ATOM 0 H THR A 30 43.027 11.571 -29.431 1.00 0.00 H new ATOM 0 HA THR A 30 41.779 11.183 -32.044 1.00 0.00 H new ATOM 0 HB THR A 30 42.664 13.858 -30.899 1.00 0.00 H new ATOM 0 HG1 THR A 30 40.521 14.454 -31.630 1.00 0.00 H new ATOM 0 HG21 THR A 30 42.331 14.788 -33.161 1.00 0.00 H new ATOM 0 HG22 THR A 30 43.646 13.590 -33.130 1.00 0.00 H new ATOM 0 HG23 THR A 30 42.053 13.147 -33.790 1.00 0.00 H new ATOM 456 N CYS A 31 44.101 10.593 -32.763 1.00 0.00 N ATOM 457 CA CYS A 31 45.444 10.276 -33.241 1.00 0.00 C ATOM 458 C CYS A 31 45.886 11.269 -34.310 1.00 0.00 C ATOM 459 O CYS A 31 45.503 11.155 -35.475 1.00 0.00 O ATOM 460 CB CYS A 31 45.497 8.847 -33.796 1.00 0.00 C ATOM 461 SG CYS A 31 47.034 8.454 -34.701 1.00 0.00 S ATOM 0 H CYS A 31 43.359 10.032 -33.181 1.00 0.00 H new ATOM 0 HA CYS A 31 46.128 10.349 -32.395 1.00 0.00 H new ATOM 0 HB2 CYS A 31 45.384 8.144 -32.971 1.00 0.00 H new ATOM 0 HB3 CYS A 31 44.647 8.696 -34.462 1.00 0.00 H new ATOM 466 N LEU A 32 46.693 12.245 -33.904 1.00 0.00 N ATOM 467 CA LEU A 32 47.188 13.261 -34.820 1.00 0.00 C ATOM 468 C LEU A 32 48.518 12.825 -35.439 1.00 0.00 C ATOM 469 O LEU A 32 48.843 11.638 -35.448 1.00 0.00 O ATOM 470 CB LEU A 32 47.341 14.584 -34.068 1.00 0.00 C ATOM 471 CG LEU A 32 48.084 14.475 -32.741 1.00 0.00 C ATOM 472 CD1 LEU A 32 49.253 15.438 -32.703 1.00 0.00 C ATOM 473 CD2 LEU A 32 47.137 14.731 -31.580 1.00 0.00 C ATOM 0 H LEU A 32 47.017 12.352 -32.943 1.00 0.00 H new ATOM 0 HA LEU A 32 46.475 13.395 -35.633 1.00 0.00 H new ATOM 0 HB2 LEU A 32 47.868 15.292 -34.708 1.00 0.00 H new ATOM 0 HB3 LEU A 32 46.350 14.998 -33.882 1.00 0.00 H new ATOM 0 HG LEU A 32 48.476 13.462 -32.647 1.00 0.00 H new ATOM 0 HD11 LEU A 32 49.770 15.345 -31.748 1.00 0.00 H new ATOM 0 HD12 LEU A 32 49.943 15.205 -33.514 1.00 0.00 H new ATOM 0 HD13 LEU A 32 48.888 16.458 -32.820 1.00 0.00 H new ATOM 0 HD21 LEU A 32 47.683 14.649 -30.640 1.00 0.00 H new ATOM 0 HD22 LEU A 32 46.715 15.732 -31.669 1.00 0.00 H new ATOM 0 HD23 LEU A 32 46.333 13.995 -31.597 1.00 0.00 H new ATOM 485 N GLY A 33 49.280 13.783 -35.961 1.00 0.00 N ATOM 486 CA GLY A 33 50.555 13.464 -36.578 1.00 0.00 C ATOM 487 C GLY A 33 51.639 13.144 -35.567 1.00 0.00 C ATOM 488 O GLY A 33 52.422 12.214 -35.763 1.00 0.00 O ATOM 0 H GLY A 33 49.037 14.774 -35.967 1.00 0.00 H new ATOM 0 HA2 GLY A 33 50.426 12.612 -37.246 1.00 0.00 H new ATOM 0 HA3 GLY A 33 50.876 14.305 -37.192 1.00 0.00 H new ATOM 492 N ASN A 34 51.689 13.913 -34.488 1.00 0.00 N ATOM 493 CA ASN A 34 52.690 13.706 -33.448 1.00 0.00 C ATOM 494 C ASN A 34 52.390 12.433 -32.659 1.00 0.00 C ATOM 495 O ASN A 34 53.290 11.819 -32.083 1.00 0.00 O ATOM 496 CB ASN A 34 52.757 14.936 -32.521 1.00 0.00 C ATOM 497 CG ASN A 34 52.224 14.677 -31.121 1.00 0.00 C ATOM 498 OD1 ASN A 34 51.163 14.075 -30.949 1.00 0.00 O ATOM 499 ND2 ASN A 34 52.959 15.135 -30.115 1.00 0.00 N ATOM 0 H ASN A 34 51.048 14.686 -34.309 1.00 0.00 H new ATOM 0 HA ASN A 34 53.666 13.582 -33.918 1.00 0.00 H new ATOM 0 HB2 ASN A 34 53.792 15.270 -32.450 1.00 0.00 H new ATOM 0 HB3 ASN A 34 52.189 15.750 -32.971 1.00 0.00 H new ATOM 0 HD21 ASN A 34 52.651 14.994 -29.153 1.00 0.00 H new ATOM 0 HD22 ASN A 34 53.832 15.628 -30.304 1.00 0.00 H new ATOM 506 N GLY A 35 51.121 12.043 -32.639 1.00 0.00 N ATOM 507 CA GLY A 35 50.722 10.848 -31.923 1.00 0.00 C ATOM 508 C GLY A 35 49.235 10.815 -31.640 1.00 0.00 C ATOM 509 O GLY A 35 48.419 10.904 -32.559 1.00 0.00 O ATOM 0 H GLY A 35 50.360 12.535 -33.107 1.00 0.00 H new ATOM 0 HA2 GLY A 35 50.998 9.969 -32.506 1.00 0.00 H new ATOM 0 HA3 GLY A 35 51.270 10.791 -30.982 1.00 0.00 H new ATOM 513 N VAL A 36 48.878 10.690 -30.367 1.00 0.00 N ATOM 514 CA VAL A 36 47.477 10.649 -29.971 1.00 0.00 C ATOM 515 C VAL A 36 47.220 11.550 -28.763 1.00 0.00 C ATOM 516 O VAL A 36 47.822 11.378 -27.703 1.00 0.00 O ATOM 517 CB VAL A 36 47.016 9.197 -29.669 1.00 0.00 C ATOM 518 CG1 VAL A 36 46.002 9.144 -28.531 1.00 0.00 C ATOM 519 CG2 VAL A 36 46.435 8.566 -30.921 1.00 0.00 C ATOM 0 H VAL A 36 49.539 10.615 -29.593 1.00 0.00 H new ATOM 0 HA VAL A 36 46.891 11.023 -30.811 1.00 0.00 H new ATOM 0 HB VAL A 36 47.892 8.632 -29.350 1.00 0.00 H new ATOM 0 HG11 VAL A 36 45.707 8.110 -28.354 1.00 0.00 H new ATOM 0 HG12 VAL A 36 46.450 9.554 -27.626 1.00 0.00 H new ATOM 0 HG13 VAL A 36 45.123 9.731 -28.799 1.00 0.00 H new ATOM 0 HG21 VAL A 36 46.114 7.548 -30.700 1.00 0.00 H new ATOM 0 HG22 VAL A 36 45.580 9.151 -31.260 1.00 0.00 H new ATOM 0 HG23 VAL A 36 47.193 8.546 -31.704 1.00 0.00 H new ATOM 529 N SER A 37 46.309 12.498 -28.937 1.00 0.00 N ATOM 530 CA SER A 37 45.941 13.425 -27.874 1.00 0.00 C ATOM 531 C SER A 37 44.438 13.366 -27.642 1.00 0.00 C ATOM 532 O SER A 37 43.652 13.572 -28.569 1.00 0.00 O ATOM 533 CB SER A 37 46.365 14.850 -28.235 1.00 0.00 C ATOM 534 OG SER A 37 46.639 15.612 -27.073 1.00 0.00 O ATOM 0 H SER A 37 45.807 12.646 -29.812 1.00 0.00 H new ATOM 0 HA SER A 37 46.457 13.136 -26.958 1.00 0.00 H new ATOM 0 HB2 SER A 37 47.250 14.819 -28.870 1.00 0.00 H new ATOM 0 HB3 SER A 37 45.576 15.332 -28.812 1.00 0.00 H new ATOM 0 HG SER A 37 46.909 16.518 -27.332 1.00 0.00 H new ATOM 540 N CYS A 38 44.033 13.061 -26.415 1.00 0.00 N ATOM 541 CA CYS A 38 42.616 12.954 -26.099 1.00 0.00 C ATOM 542 C CYS A 38 42.149 14.086 -25.187 1.00 0.00 C ATOM 543 O CYS A 38 42.962 14.809 -24.611 1.00 0.00 O ATOM 544 CB CYS A 38 42.324 11.604 -25.443 1.00 0.00 C ATOM 545 SG CYS A 38 43.450 10.268 -25.959 1.00 0.00 S ATOM 0 H CYS A 38 44.660 12.885 -25.630 1.00 0.00 H new ATOM 0 HA CYS A 38 42.064 13.033 -27.036 1.00 0.00 H new ATOM 0 HB2 CYS A 38 42.384 11.717 -24.361 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.300 11.312 -25.677 1.00 0.00 H new ATOM 550 N GLN A 39 40.828 14.231 -25.058 1.00 0.00 N ATOM 551 CA GLN A 39 40.253 15.274 -24.212 1.00 0.00 C ATOM 552 C GLN A 39 39.585 14.669 -22.980 1.00 0.00 C ATOM 553 O GLN A 39 38.650 13.875 -23.095 1.00 0.00 O ATOM 554 CB GLN A 39 39.237 16.098 -25.005 1.00 0.00 C ATOM 555 CG GLN A 39 39.858 16.911 -26.130 1.00 0.00 C ATOM 556 CD GLN A 39 38.826 17.425 -27.115 1.00 0.00 C ATOM 557 OE1 GLN A 39 39.042 17.402 -28.327 1.00 0.00 O ATOM 558 NE2 GLN A 39 37.697 17.893 -26.597 1.00 0.00 N ATOM 0 H GLN A 39 40.141 13.641 -25.527 1.00 0.00 H new ATOM 0 HA GLN A 39 41.061 15.926 -23.881 1.00 0.00 H new ATOM 0 HB2 GLN A 39 38.486 15.428 -25.424 1.00 0.00 H new ATOM 0 HB3 GLN A 39 38.718 16.773 -24.324 1.00 0.00 H new ATOM 0 HG2 GLN A 39 40.402 17.755 -25.706 1.00 0.00 H new ATOM 0 HG3 GLN A 39 40.586 16.296 -26.659 1.00 0.00 H new ATOM 0 HE21 GLN A 39 37.561 17.893 -25.586 1.00 0.00 H new ATOM 0 HE22 GLN A 39 36.965 18.253 -27.210 1.00 0.00 H new ATOM 636 N GLN A 45 28.612 22.878 -20.033 1.00 0.00 N ATOM 637 CA GLN A 45 27.704 23.478 -19.061 1.00 0.00 C ATOM 638 C GLN A 45 26.340 22.795 -19.096 1.00 0.00 C ATOM 639 O GLN A 45 26.058 21.995 -19.988 1.00 0.00 O ATOM 640 CB GLN A 45 27.547 24.976 -19.331 1.00 0.00 C ATOM 641 CG GLN A 45 28.828 25.650 -19.791 1.00 0.00 C ATOM 642 CD GLN A 45 29.817 25.853 -18.660 1.00 0.00 C ATOM 643 OE1 GLN A 45 30.343 24.892 -18.100 1.00 0.00 O ATOM 644 NE2 GLN A 45 30.073 27.110 -18.317 1.00 0.00 N ATOM 0 HA GLN A 45 28.133 23.340 -18.069 1.00 0.00 H new ATOM 0 HB2 GLN A 45 26.778 25.121 -20.090 1.00 0.00 H new ATOM 0 HB3 GLN A 45 27.195 25.465 -18.423 1.00 0.00 H new ATOM 0 HG2 GLN A 45 29.292 25.046 -20.571 1.00 0.00 H new ATOM 0 HG3 GLN A 45 28.587 26.615 -20.236 1.00 0.00 H new ATOM 0 HE21 GLN A 45 29.614 27.877 -18.809 1.00 0.00 H new ATOM 0 HE22 GLN A 45 30.729 27.309 -17.562 1.00 0.00 H new ATOM 653 N THR A 46 25.499 23.119 -18.118 1.00 0.00 N ATOM 654 CA THR A 46 24.163 22.538 -18.033 1.00 0.00 C ATOM 655 C THR A 46 23.251 23.386 -17.151 1.00 0.00 C ATOM 656 O THR A 46 23.664 23.860 -16.092 1.00 0.00 O ATOM 657 CB THR A 46 24.211 21.104 -17.470 1.00 0.00 C ATOM 658 OG1 THR A 46 25.062 21.059 -16.319 1.00 0.00 O ATOM 659 CG2 THR A 46 24.717 20.126 -18.521 1.00 0.00 C ATOM 0 H THR A 46 25.719 23.781 -17.373 1.00 0.00 H new ATOM 0 HA THR A 46 23.763 22.511 -19.047 1.00 0.00 H new ATOM 0 HB THR A 46 23.199 20.814 -17.185 1.00 0.00 H new ATOM 0 HG1 THR A 46 25.086 20.145 -15.966 1.00 0.00 H new ATOM 0 HG21 THR A 46 24.742 19.121 -18.100 1.00 0.00 H new ATOM 0 HG22 THR A 46 24.051 20.142 -19.384 1.00 0.00 H new ATOM 0 HG23 THR A 46 25.721 20.414 -18.833 1.00 0.00 H new ATOM 667 N TYR A 47 22.011 23.574 -17.592 1.00 0.00 N ATOM 668 CA TYR A 47 21.045 24.365 -16.838 1.00 0.00 C ATOM 669 C TYR A 47 19.636 24.201 -17.399 1.00 0.00 C ATOM 670 O TYR A 47 19.436 24.186 -18.613 1.00 0.00 O ATOM 671 CB TYR A 47 21.447 25.842 -16.848 1.00 0.00 C ATOM 672 CG TYR A 47 21.197 26.538 -18.168 1.00 0.00 C ATOM 673 CD1 TYR A 47 21.235 25.838 -19.369 1.00 0.00 C ATOM 674 CD2 TYR A 47 20.929 27.902 -18.214 1.00 0.00 C ATOM 675 CE1 TYR A 47 21.012 26.475 -20.575 1.00 0.00 C ATOM 676 CE2 TYR A 47 20.705 28.545 -19.416 1.00 0.00 C ATOM 677 CZ TYR A 47 20.747 27.828 -20.593 1.00 0.00 C ATOM 678 OH TYR A 47 20.524 28.466 -21.792 1.00 0.00 O ATOM 0 H TYR A 47 21.652 23.190 -18.466 1.00 0.00 H new ATOM 0 HA TYR A 47 21.044 24.002 -15.810 1.00 0.00 H new ATOM 0 HB2 TYR A 47 20.897 26.363 -16.064 1.00 0.00 H new ATOM 0 HB3 TYR A 47 22.506 25.922 -16.602 1.00 0.00 H new ATOM 0 HD1 TYR A 47 21.442 24.778 -19.359 1.00 0.00 H new ATOM 0 HD2 TYR A 47 20.895 28.468 -17.295 1.00 0.00 H new ATOM 0 HE1 TYR A 47 21.045 25.916 -21.498 1.00 0.00 H new ATOM 0 HE2 TYR A 47 20.498 29.605 -19.434 1.00 0.00 H new ATOM 0 HH TYR A 47 20.351 29.417 -21.629 1.00 0.00 H new ATOM 688 N GLY A 48 18.660 24.074 -16.508 1.00 0.00 N ATOM 689 CA GLY A 48 17.284 23.910 -16.934 1.00 0.00 C ATOM 690 C GLY A 48 17.074 22.636 -17.726 1.00 0.00 C ATOM 691 O GLY A 48 17.245 21.535 -17.200 1.00 0.00 O ATOM 0 H GLY A 48 18.798 24.082 -15.497 1.00 0.00 H new ATOM 0 HA2 GLY A 48 16.634 23.902 -16.059 1.00 0.00 H new ATOM 0 HA3 GLY A 48 16.990 24.766 -17.542 1.00 0.00 H new ATOM 695 N GLY A 49 16.706 22.783 -18.993 1.00 0.00 N ATOM 696 CA GLY A 49 16.480 21.627 -19.838 1.00 0.00 C ATOM 697 C GLY A 49 15.416 20.703 -19.280 1.00 0.00 C ATOM 698 O GLY A 49 14.342 21.153 -18.882 1.00 0.00 O ATOM 0 H GLY A 49 16.560 23.683 -19.450 1.00 0.00 H new ATOM 0 HA2 GLY A 49 16.183 21.960 -20.833 1.00 0.00 H new ATOM 0 HA3 GLY A 49 17.413 21.075 -19.952 1.00 0.00 H new ATOM 702 N ASN A 50 15.714 19.409 -19.249 1.00 0.00 N ATOM 703 CA ASN A 50 14.773 18.421 -18.732 1.00 0.00 C ATOM 704 C ASN A 50 15.349 17.707 -17.515 1.00 0.00 C ATOM 705 O ASN A 50 14.610 17.155 -16.699 1.00 0.00 O ATOM 706 CB ASN A 50 14.422 17.401 -19.817 1.00 0.00 C ATOM 707 CG ASN A 50 13.329 16.446 -19.380 1.00 0.00 C ATOM 708 OD1 ASN A 50 12.559 16.741 -18.467 1.00 0.00 O ATOM 709 ND2 ASN A 50 13.256 15.291 -20.034 1.00 0.00 N ATOM 0 H ASN A 50 16.598 19.019 -19.575 1.00 0.00 H new ATOM 0 HA ASN A 50 13.866 18.944 -18.429 1.00 0.00 H new ATOM 0 HB2 ASN A 50 14.103 17.927 -20.717 1.00 0.00 H new ATOM 0 HB3 ASN A 50 15.314 16.832 -20.080 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.540 14.608 -19.785 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.915 15.088 -20.785 1.00 0.00 H new ATOM 716 N SER A 51 16.672 17.721 -17.397 1.00 0.00 N ATOM 717 CA SER A 51 17.346 17.076 -16.277 1.00 0.00 C ATOM 718 C SER A 51 17.704 18.088 -15.193 1.00 0.00 C ATOM 719 O SER A 51 18.312 17.737 -14.181 1.00 0.00 O ATOM 720 CB SER A 51 18.610 16.361 -16.760 1.00 0.00 C ATOM 721 OG SER A 51 18.320 15.041 -17.186 1.00 0.00 O ATOM 0 H SER A 51 17.299 18.172 -18.063 1.00 0.00 H new ATOM 0 HA SER A 51 16.661 16.344 -15.849 1.00 0.00 H new ATOM 0 HB2 SER A 51 19.057 16.921 -17.581 1.00 0.00 H new ATOM 0 HB3 SER A 51 19.345 16.333 -15.956 1.00 0.00 H new ATOM 0 HG SER A 51 18.272 15.016 -18.165 1.00 0.00 H new ATOM 727 N ASN A 52 17.324 19.344 -15.407 1.00 0.00 N ATOM 728 CA ASN A 52 17.608 20.401 -14.444 1.00 0.00 C ATOM 729 C ASN A 52 19.111 20.609 -14.291 1.00 0.00 C ATOM 730 O ASN A 52 19.565 21.275 -13.360 1.00 0.00 O ATOM 731 CB ASN A 52 16.986 20.061 -13.089 1.00 0.00 C ATOM 732 CG ASN A 52 17.380 21.050 -12.008 1.00 0.00 C ATOM 733 OD1 ASN A 52 18.374 20.687 -11.207 1.00 0.00 O flip ATOM 734 ND2 ASN A 52 16.797 22.128 -11.896 1.00 0.00 N flip ATOM 0 H ASN A 52 16.819 19.654 -16.238 1.00 0.00 H new ATOM 0 HA ASN A 52 17.170 21.327 -14.816 1.00 0.00 H new ATOM 0 HB2 ASN A 52 15.900 20.044 -13.184 1.00 0.00 H new ATOM 0 HB3 ASN A 52 17.295 19.059 -12.791 1.00 0.00 H new ATOM 0 HD21 ASN A 52 16.038 22.366 -12.534 1.00 0.00 H new ATOM 0 HD22 ASN A 52 17.073 22.784 -11.165 1.00 0.00 H new ATOM 741 N GLY A 53 19.879 20.033 -15.211 1.00 0.00 N ATOM 742 CA GLY A 53 21.323 20.165 -15.160 1.00 0.00 C ATOM 743 C GLY A 53 21.993 18.968 -14.515 1.00 0.00 C ATOM 744 O GLY A 53 22.448 19.044 -13.374 1.00 0.00 O ATOM 0 H GLY A 53 19.527 19.477 -15.991 1.00 0.00 H new ATOM 0 HA2 GLY A 53 21.709 20.292 -16.171 1.00 0.00 H new ATOM 0 HA3 GLY A 53 21.583 21.066 -14.604 1.00 0.00 H new ATOM 748 N GLU A 54 22.052 17.860 -15.245 1.00 0.00 N ATOM 749 CA GLU A 54 22.670 16.642 -14.734 1.00 0.00 C ATOM 750 C GLU A 54 23.739 16.128 -15.692 1.00 0.00 C ATOM 751 O GLU A 54 23.842 16.583 -16.831 1.00 0.00 O ATOM 752 CB GLU A 54 21.611 15.563 -14.511 1.00 0.00 C ATOM 753 CG GLU A 54 20.800 15.770 -13.243 1.00 0.00 C ATOM 754 CD GLU A 54 21.643 16.281 -12.090 1.00 0.00 C ATOM 755 OE1 GLU A 54 22.368 15.468 -11.480 1.00 0.00 O ATOM 756 OE2 GLU A 54 21.578 17.494 -11.800 1.00 0.00 O ATOM 0 H GLU A 54 21.680 17.780 -16.191 1.00 0.00 H new ATOM 0 HA GLU A 54 23.145 16.880 -13.782 1.00 0.00 H new ATOM 0 HB2 GLU A 54 20.936 15.544 -15.367 1.00 0.00 H new ATOM 0 HB3 GLU A 54 22.098 14.589 -14.467 1.00 0.00 H new ATOM 0 HG2 GLU A 54 19.995 16.478 -13.442 1.00 0.00 H new ATOM 0 HG3 GLU A 54 20.332 14.828 -12.957 1.00 0.00 H new ATOM 763 N PRO A 55 24.548 15.162 -15.234 1.00 0.00 N ATOM 764 CA PRO A 55 25.619 14.571 -16.044 1.00 0.00 C ATOM 765 C PRO A 55 25.090 13.967 -17.341 1.00 0.00 C ATOM 766 O PRO A 55 24.085 13.257 -17.341 1.00 0.00 O ATOM 767 CB PRO A 55 26.194 13.474 -15.141 1.00 0.00 C ATOM 768 CG PRO A 55 25.799 13.864 -13.758 1.00 0.00 C ATOM 769 CD PRO A 55 24.479 14.571 -13.889 1.00 0.00 C ATOM 0 HA PRO A 55 26.355 15.315 -16.349 1.00 0.00 H new ATOM 0 HB2 PRO A 55 25.793 12.496 -15.405 1.00 0.00 H new ATOM 0 HB3 PRO A 55 27.278 13.411 -15.239 1.00 0.00 H new ATOM 0 HG2 PRO A 55 25.710 12.988 -13.116 1.00 0.00 H new ATOM 0 HG3 PRO A 55 26.548 14.515 -13.307 1.00 0.00 H new ATOM 0 HD2 PRO A 55 23.641 13.880 -13.795 1.00 0.00 H new ATOM 0 HD3 PRO A 55 24.352 15.333 -13.120 1.00 0.00 H new ATOM 777 N CYS A 56 25.773 14.254 -18.444 1.00 0.00 N ATOM 778 CA CYS A 56 25.370 13.738 -19.746 1.00 0.00 C ATOM 779 C CYS A 56 25.854 12.304 -19.939 1.00 0.00 C ATOM 780 O CYS A 56 26.838 11.882 -19.334 1.00 0.00 O ATOM 781 CB CYS A 56 25.910 14.634 -20.861 1.00 0.00 C ATOM 782 SG CYS A 56 25.600 16.411 -20.602 1.00 0.00 S ATOM 0 H CYS A 56 26.607 14.841 -18.462 1.00 0.00 H new ATOM 0 HA CYS A 56 24.281 13.738 -19.789 1.00 0.00 H new ATOM 0 HB2 CYS A 56 26.984 14.473 -20.954 1.00 0.00 H new ATOM 0 HB3 CYS A 56 25.459 14.331 -21.806 1.00 0.00 H new ATOM 787 N VAL A 57 25.148 11.556 -20.782 1.00 0.00 N ATOM 788 CA VAL A 57 25.495 10.168 -21.053 1.00 0.00 C ATOM 789 C VAL A 57 25.907 9.974 -22.509 1.00 0.00 C ATOM 790 O VAL A 57 25.154 9.416 -23.308 1.00 0.00 O ATOM 791 CB VAL A 57 24.318 9.227 -20.733 1.00 0.00 C ATOM 792 CG1 VAL A 57 23.162 9.466 -21.694 1.00 0.00 C ATOM 793 CG2 VAL A 57 24.766 7.774 -20.778 1.00 0.00 C ATOM 0 H VAL A 57 24.329 11.891 -21.290 1.00 0.00 H new ATOM 0 HA VAL A 57 26.338 9.920 -20.408 1.00 0.00 H new ATOM 0 HB VAL A 57 23.970 9.445 -19.723 1.00 0.00 H new ATOM 0 HG11 VAL A 57 22.341 8.791 -21.451 1.00 0.00 H new ATOM 0 HG12 VAL A 57 22.822 10.498 -21.605 1.00 0.00 H new ATOM 0 HG13 VAL A 57 23.494 9.280 -22.716 1.00 0.00 H new ATOM 0 HG21 VAL A 57 23.920 7.125 -20.549 1.00 0.00 H new ATOM 0 HG22 VAL A 57 25.144 7.540 -21.773 1.00 0.00 H new ATOM 0 HG23 VAL A 57 25.555 7.614 -20.044 1.00 0.00 H new ATOM 803 N LEU A 58 27.102 10.440 -22.851 1.00 0.00 N ATOM 804 CA LEU A 58 27.603 10.318 -24.214 1.00 0.00 C ATOM 805 C LEU A 58 28.828 9.410 -24.275 1.00 0.00 C ATOM 806 O LEU A 58 29.439 9.101 -23.252 1.00 0.00 O ATOM 807 CB LEU A 58 27.949 11.696 -24.780 1.00 0.00 C ATOM 808 CG LEU A 58 28.302 12.754 -23.734 1.00 0.00 C ATOM 809 CD1 LEU A 58 27.080 13.108 -22.905 1.00 0.00 C ATOM 810 CD2 LEU A 58 29.432 12.264 -22.841 1.00 0.00 C ATOM 0 H LEU A 58 27.740 10.905 -22.205 1.00 0.00 H new ATOM 0 HA LEU A 58 26.815 9.870 -24.818 1.00 0.00 H new ATOM 0 HB2 LEU A 58 28.790 11.590 -25.466 1.00 0.00 H new ATOM 0 HB3 LEU A 58 27.103 12.054 -25.366 1.00 0.00 H new ATOM 0 HG LEU A 58 28.639 13.653 -24.251 1.00 0.00 H new ATOM 0 HD11 LEU A 58 27.348 13.862 -22.165 1.00 0.00 H new ATOM 0 HD12 LEU A 58 26.299 13.500 -23.557 1.00 0.00 H new ATOM 0 HD13 LEU A 58 26.714 12.216 -22.397 1.00 0.00 H new ATOM 0 HD21 LEU A 58 29.670 13.030 -22.103 1.00 0.00 H new ATOM 0 HD22 LEU A 58 29.123 11.351 -22.331 1.00 0.00 H new ATOM 0 HD23 LEU A 58 30.313 12.059 -23.449 1.00 0.00 H new ATOM 822 N PRO A 59 29.201 8.972 -25.489 1.00 0.00 N ATOM 823 CA PRO A 59 28.488 9.329 -26.717 1.00 0.00 C ATOM 824 C PRO A 59 27.107 8.695 -26.789 1.00 0.00 C ATOM 825 O PRO A 59 26.925 7.533 -26.427 1.00 0.00 O ATOM 826 CB PRO A 59 29.375 8.771 -27.837 1.00 0.00 C ATOM 827 CG PRO A 59 30.678 8.444 -27.185 1.00 0.00 C ATOM 828 CD PRO A 59 30.345 8.097 -25.765 1.00 0.00 C ATOM 0 HA PRO A 59 28.323 10.404 -26.781 1.00 0.00 H new ATOM 0 HB2 PRO A 59 28.928 7.885 -28.288 1.00 0.00 H new ATOM 0 HB3 PRO A 59 29.507 9.502 -28.635 1.00 0.00 H new ATOM 0 HG2 PRO A 59 31.169 7.610 -27.687 1.00 0.00 H new ATOM 0 HG3 PRO A 59 31.362 9.291 -27.231 1.00 0.00 H new ATOM 0 HD2 PRO A 59 30.087 7.044 -25.654 1.00 0.00 H new ATOM 0 HD3 PRO A 59 31.179 8.294 -25.092 1.00 0.00 H new ATOM 836 N PHE A 60 26.142 9.462 -27.274 1.00 0.00 N ATOM 837 CA PHE A 60 24.778 8.975 -27.413 1.00 0.00 C ATOM 838 C PHE A 60 24.388 8.940 -28.884 1.00 0.00 C ATOM 839 O PHE A 60 25.182 9.303 -29.750 1.00 0.00 O ATOM 840 CB PHE A 60 23.805 9.857 -26.627 1.00 0.00 C ATOM 841 CG PHE A 60 24.062 11.327 -26.782 1.00 0.00 C ATOM 842 CD1 PHE A 60 23.559 12.021 -27.871 1.00 0.00 C ATOM 843 CD2 PHE A 60 24.803 12.018 -25.836 1.00 0.00 C ATOM 844 CE1 PHE A 60 23.791 13.376 -28.014 1.00 0.00 C ATOM 845 CE2 PHE A 60 25.038 13.372 -25.974 1.00 0.00 C ATOM 846 CZ PHE A 60 24.532 14.052 -27.065 1.00 0.00 C ATOM 0 H PHE A 60 26.279 10.426 -27.578 1.00 0.00 H new ATOM 0 HA PHE A 60 24.726 7.965 -27.007 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.788 9.639 -26.952 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.865 9.596 -25.570 1.00 0.00 H new ATOM 0 HD1 PHE A 60 22.979 11.497 -28.616 1.00 0.00 H new ATOM 0 HD2 PHE A 60 25.201 11.492 -24.981 1.00 0.00 H new ATOM 0 HE1 PHE A 60 23.393 13.905 -28.867 1.00 0.00 H new ATOM 0 HE2 PHE A 60 25.617 13.899 -25.230 1.00 0.00 H new ATOM 0 HZ PHE A 60 24.716 15.111 -27.175 1.00 0.00 H new ATOM 856 N THR A 61 23.169 8.501 -29.166 1.00 0.00 N ATOM 857 CA THR A 61 22.699 8.423 -30.542 1.00 0.00 C ATOM 858 C THR A 61 21.367 9.142 -30.714 1.00 0.00 C ATOM 859 O THR A 61 20.397 8.854 -30.013 1.00 0.00 O ATOM 860 CB THR A 61 22.542 6.960 -31.000 1.00 0.00 C ATOM 861 OG1 THR A 61 23.242 6.088 -30.104 1.00 0.00 O ATOM 862 CG2 THR A 61 23.076 6.778 -32.414 1.00 0.00 C ATOM 0 H THR A 61 22.492 8.196 -28.466 1.00 0.00 H new ATOM 0 HA THR A 61 23.453 8.912 -31.159 1.00 0.00 H new ATOM 0 HB THR A 61 21.481 6.711 -30.993 1.00 0.00 H new ATOM 0 HG1 THR A 61 23.136 5.160 -30.401 1.00 0.00 H new ATOM 0 HG21 THR A 61 22.955 5.738 -32.717 1.00 0.00 H new ATOM 0 HG22 THR A 61 22.523 7.422 -33.098 1.00 0.00 H new ATOM 0 HG23 THR A 61 24.133 7.044 -32.441 1.00 0.00 H new ATOM 870 N TYR A 62 21.327 10.077 -31.658 1.00 0.00 N ATOM 871 CA TYR A 62 20.111 10.836 -31.930 1.00 0.00 C ATOM 872 C TYR A 62 19.916 11.028 -33.431 1.00 0.00 C ATOM 873 O TYR A 62 20.807 11.513 -34.127 1.00 0.00 O ATOM 874 CB TYR A 62 20.158 12.197 -31.234 1.00 0.00 C ATOM 875 CG TYR A 62 19.082 13.150 -31.703 1.00 0.00 C ATOM 876 CD1 TYR A 62 17.758 12.976 -31.319 1.00 0.00 C ATOM 877 CD2 TYR A 62 19.390 14.223 -32.530 1.00 0.00 C ATOM 878 CE1 TYR A 62 16.771 13.843 -31.748 1.00 0.00 C ATOM 879 CE2 TYR A 62 18.409 15.095 -32.962 1.00 0.00 C ATOM 880 CZ TYR A 62 17.102 14.900 -32.568 1.00 0.00 C ATOM 881 OH TYR A 62 16.121 15.766 -32.998 1.00 0.00 O ATOM 0 H TYR A 62 22.121 10.327 -32.247 1.00 0.00 H new ATOM 0 HA TYR A 62 19.267 10.268 -31.538 1.00 0.00 H new ATOM 0 HB2 TYR A 62 20.059 12.050 -30.158 1.00 0.00 H new ATOM 0 HB3 TYR A 62 21.134 12.651 -31.405 1.00 0.00 H new ATOM 0 HD1 TYR A 62 17.496 12.150 -30.675 1.00 0.00 H new ATOM 0 HD2 TYR A 62 20.413 14.378 -32.840 1.00 0.00 H new ATOM 0 HE1 TYR A 62 15.746 13.693 -31.442 1.00 0.00 H new ATOM 0 HE2 TYR A 62 18.664 15.925 -33.605 1.00 0.00 H new ATOM 0 HH TYR A 62 15.460 15.892 -32.285 1.00 0.00 H new ATOM 891 N ASN A 63 18.744 10.638 -33.921 1.00 0.00 N ATOM 892 CA ASN A 63 18.427 10.762 -35.338 1.00 0.00 C ATOM 893 C ASN A 63 19.258 9.792 -36.172 1.00 0.00 C ATOM 894 O ASN A 63 19.204 9.811 -37.401 1.00 0.00 O ATOM 895 CB ASN A 63 18.661 12.196 -35.814 1.00 0.00 C ATOM 896 CG ASN A 63 17.396 13.029 -35.772 1.00 0.00 C ATOM 897 OD1 ASN A 63 16.292 12.497 -35.653 1.00 0.00 O ATOM 898 ND2 ASN A 63 17.552 14.343 -35.868 1.00 0.00 N ATOM 0 H ASN A 63 17.997 10.233 -33.356 1.00 0.00 H new ATOM 0 HA ASN A 63 17.374 10.512 -35.469 1.00 0.00 H new ATOM 0 HB2 ASN A 63 19.422 12.664 -35.190 1.00 0.00 H new ATOM 0 HB3 ASN A 63 19.049 12.180 -36.832 1.00 0.00 H new ATOM 0 HD21 ASN A 63 16.737 14.956 -35.844 1.00 0.00 H new ATOM 0 HD22 ASN A 63 18.487 14.740 -35.965 1.00 0.00 H new ATOM 905 N GLY A 64 20.023 8.939 -35.495 1.00 0.00 N ATOM 906 CA GLY A 64 20.847 7.970 -36.195 1.00 0.00 C ATOM 907 C GLY A 64 22.329 8.277 -36.094 1.00 0.00 C ATOM 908 O GLY A 64 23.164 7.443 -36.445 1.00 0.00 O ATOM 0 H GLY A 64 20.086 8.902 -34.478 1.00 0.00 H new ATOM 0 HA2 GLY A 64 20.658 6.977 -35.787 1.00 0.00 H new ATOM 0 HA3 GLY A 64 20.557 7.944 -37.245 1.00 0.00 H new ATOM 912 N ARG A 65 22.660 9.473 -35.618 1.00 0.00 N ATOM 913 CA ARG A 65 24.057 9.873 -35.480 1.00 0.00 C ATOM 914 C ARG A 65 24.526 9.724 -34.036 1.00 0.00 C ATOM 915 O ARG A 65 23.855 9.095 -33.218 1.00 0.00 O ATOM 916 CB ARG A 65 24.252 11.314 -35.953 1.00 0.00 C ATOM 917 CG ARG A 65 23.552 12.344 -35.081 1.00 0.00 C ATOM 918 CD ARG A 65 22.456 13.069 -35.848 1.00 0.00 C ATOM 919 NE ARG A 65 22.959 14.257 -36.532 1.00 0.00 N ATOM 920 CZ ARG A 65 22.313 14.864 -37.524 1.00 0.00 C ATOM 921 NH1 ARG A 65 21.143 14.399 -37.939 1.00 0.00 N ATOM 922 NH2 ARG A 65 22.837 15.937 -38.100 1.00 0.00 N ATOM 0 H ARG A 65 21.985 10.179 -35.323 1.00 0.00 H new ATOM 0 HA ARG A 65 24.659 9.215 -36.106 1.00 0.00 H new ATOM 0 HB2 ARG A 65 25.319 11.537 -35.979 1.00 0.00 H new ATOM 0 HB3 ARG A 65 23.883 11.405 -36.975 1.00 0.00 H new ATOM 0 HG2 ARG A 65 23.123 11.852 -34.208 1.00 0.00 H new ATOM 0 HG3 ARG A 65 24.280 13.067 -34.714 1.00 0.00 H new ATOM 0 HD2 ARG A 65 22.015 12.390 -36.578 1.00 0.00 H new ATOM 0 HD3 ARG A 65 21.661 13.357 -35.159 1.00 0.00 H new ATOM 0 HE ARG A 65 23.855 14.643 -36.233 1.00 0.00 H new ATOM 0 HH11 ARG A 65 20.736 13.574 -37.498 1.00 0.00 H new ATOM 0 HH12 ARG A 65 20.649 14.866 -38.700 1.00 0.00 H new ATOM 0 HH21 ARG A 65 23.737 16.298 -37.783 1.00 0.00 H new ATOM 0 HH22 ARG A 65 22.341 16.401 -38.860 1.00 0.00 H new ATOM 936 N THR A 66 25.685 10.302 -33.730 1.00 0.00 N ATOM 937 CA THR A 66 26.244 10.224 -32.385 1.00 0.00 C ATOM 938 C THR A 66 26.891 11.546 -31.976 1.00 0.00 C ATOM 939 O THR A 66 27.362 12.306 -32.821 1.00 0.00 O ATOM 940 CB THR A 66 27.289 9.095 -32.282 1.00 0.00 C ATOM 941 OG1 THR A 66 26.723 7.861 -32.741 1.00 0.00 O ATOM 942 CG2 THR A 66 27.778 8.928 -30.850 1.00 0.00 C ATOM 0 H THR A 66 26.253 10.828 -34.394 1.00 0.00 H new ATOM 0 HA THR A 66 25.417 10.009 -31.708 1.00 0.00 H new ATOM 0 HB THR A 66 28.139 9.365 -32.908 1.00 0.00 H new ATOM 0 HG1 THR A 66 27.393 7.149 -32.674 1.00 0.00 H new ATOM 0 HG21 THR A 66 28.514 8.125 -30.808 1.00 0.00 H new ATOM 0 HG22 THR A 66 28.236 9.857 -30.511 1.00 0.00 H new ATOM 0 HG23 THR A 66 26.935 8.682 -30.204 1.00 0.00 H new ATOM 950 N PHE A 67 26.909 11.812 -30.671 1.00 0.00 N ATOM 951 CA PHE A 67 27.497 13.040 -30.146 1.00 0.00 C ATOM 952 C PHE A 67 28.290 12.764 -28.870 1.00 0.00 C ATOM 953 O PHE A 67 27.790 12.134 -27.938 1.00 0.00 O ATOM 954 CB PHE A 67 26.405 14.074 -29.870 1.00 0.00 C ATOM 955 CG PHE A 67 25.348 14.125 -30.936 1.00 0.00 C ATOM 956 CD1 PHE A 67 24.487 13.056 -31.133 1.00 0.00 C ATOM 957 CD2 PHE A 67 25.216 15.243 -31.743 1.00 0.00 C ATOM 958 CE1 PHE A 67 23.516 13.101 -32.114 1.00 0.00 C ATOM 959 CE2 PHE A 67 24.247 15.296 -32.727 1.00 0.00 C ATOM 960 CZ PHE A 67 23.396 14.223 -32.912 1.00 0.00 C ATOM 0 H PHE A 67 26.523 11.192 -29.959 1.00 0.00 H new ATOM 0 HA PHE A 67 28.181 13.436 -30.897 1.00 0.00 H new ATOM 0 HB2 PHE A 67 25.935 13.848 -28.913 1.00 0.00 H new ATOM 0 HB3 PHE A 67 26.863 15.059 -29.776 1.00 0.00 H new ATOM 0 HD1 PHE A 67 24.577 12.177 -30.512 1.00 0.00 H new ATOM 0 HD2 PHE A 67 25.879 16.084 -31.601 1.00 0.00 H new ATOM 0 HE1 PHE A 67 22.852 12.261 -32.257 1.00 0.00 H new ATOM 0 HE2 PHE A 67 24.155 16.174 -33.350 1.00 0.00 H new ATOM 0 HZ PHE A 67 22.637 14.261 -33.680 1.00 0.00 H new ATOM 970 N TYR A 68 29.534 13.236 -28.840 1.00 0.00 N ATOM 971 CA TYR A 68 30.405 13.040 -27.688 1.00 0.00 C ATOM 972 C TYR A 68 30.059 14.002 -26.555 1.00 0.00 C ATOM 973 O TYR A 68 30.591 13.887 -25.452 1.00 0.00 O ATOM 974 CB TYR A 68 31.865 13.227 -28.101 1.00 0.00 C ATOM 975 CG TYR A 68 32.367 12.158 -29.045 1.00 0.00 C ATOM 976 CD1 TYR A 68 31.684 10.956 -29.175 1.00 0.00 C ATOM 977 CD2 TYR A 68 33.520 12.344 -29.799 1.00 0.00 C ATOM 978 CE1 TYR A 68 32.131 9.967 -30.028 1.00 0.00 C ATOM 979 CE2 TYR A 68 33.976 11.360 -30.657 1.00 0.00 C ATOM 980 CZ TYR A 68 33.279 10.172 -30.766 1.00 0.00 C ATOM 981 OH TYR A 68 33.729 9.191 -31.618 1.00 0.00 O ATOM 0 H TYR A 68 29.961 13.759 -29.605 1.00 0.00 H new ATOM 0 HA TYR A 68 30.255 12.024 -27.324 1.00 0.00 H new ATOM 0 HB2 TYR A 68 31.978 14.202 -28.576 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.489 13.233 -27.207 1.00 0.00 H new ATOM 0 HD1 TYR A 68 30.786 10.792 -28.598 1.00 0.00 H new ATOM 0 HD2 TYR A 68 34.068 13.271 -29.713 1.00 0.00 H new ATOM 0 HE1 TYR A 68 31.586 9.039 -30.117 1.00 0.00 H new ATOM 0 HE2 TYR A 68 34.872 11.519 -31.239 1.00 0.00 H new ATOM 0 HH TYR A 68 34.643 9.399 -31.903 1.00 0.00 H new ATOM 991 N SER A 69 29.167 14.948 -26.831 1.00 0.00 N ATOM 992 CA SER A 69 28.763 15.922 -25.822 1.00 0.00 C ATOM 993 C SER A 69 27.563 16.737 -26.290 1.00 0.00 C ATOM 994 O SER A 69 26.854 16.345 -27.218 1.00 0.00 O ATOM 995 CB SER A 69 29.928 16.855 -25.487 1.00 0.00 C ATOM 996 OG SER A 69 30.065 17.016 -24.085 1.00 0.00 O ATOM 0 H SER A 69 28.713 15.061 -27.737 1.00 0.00 H new ATOM 0 HA SER A 69 28.474 15.373 -24.926 1.00 0.00 H new ATOM 0 HB2 SER A 69 30.852 16.452 -25.902 1.00 0.00 H new ATOM 0 HB3 SER A 69 29.766 17.827 -25.954 1.00 0.00 H new ATOM 0 HG SER A 69 30.817 17.615 -23.896 1.00 0.00 H new ATOM 1002 N CYS A 70 27.345 17.874 -25.639 1.00 0.00 N ATOM 1003 CA CYS A 70 26.233 18.750 -25.982 1.00 0.00 C ATOM 1004 C CYS A 70 26.194 19.004 -27.484 1.00 0.00 C ATOM 1005 O CYS A 70 27.173 18.765 -28.190 1.00 0.00 O ATOM 1006 CB CYS A 70 26.346 20.077 -25.228 1.00 0.00 C ATOM 1007 SG CYS A 70 26.926 19.914 -23.508 1.00 0.00 S ATOM 0 H CYS A 70 27.925 18.210 -24.870 1.00 0.00 H new ATOM 0 HA CYS A 70 25.307 18.257 -25.688 1.00 0.00 H new ATOM 0 HB2 CYS A 70 27.029 20.732 -25.769 1.00 0.00 H new ATOM 0 HB3 CYS A 70 25.371 20.565 -25.226 1.00 0.00 H new ATOM 1012 N THR A 71 25.056 19.488 -27.966 1.00 0.00 N ATOM 1013 CA THR A 71 24.887 19.773 -29.384 1.00 0.00 C ATOM 1014 C THR A 71 23.565 20.482 -29.644 1.00 0.00 C ATOM 1015 O THR A 71 22.847 20.841 -28.711 1.00 0.00 O ATOM 1016 CB THR A 71 24.940 18.488 -30.230 1.00 0.00 C ATOM 1017 OG1 THR A 71 25.048 18.822 -31.619 1.00 0.00 O ATOM 1018 CG2 THR A 71 23.696 17.639 -30.001 1.00 0.00 C ATOM 0 H THR A 71 24.236 19.691 -27.394 1.00 0.00 H new ATOM 0 HA THR A 71 25.712 20.422 -29.675 1.00 0.00 H new ATOM 0 HB THR A 71 25.814 17.912 -29.926 1.00 0.00 H new ATOM 0 HG1 THR A 71 25.133 18.001 -32.147 1.00 0.00 H new ATOM 0 HG21 THR A 71 23.755 16.736 -30.609 1.00 0.00 H new ATOM 0 HG22 THR A 71 23.632 17.364 -28.948 1.00 0.00 H new ATOM 0 HG23 THR A 71 22.810 18.208 -30.282 1.00 0.00 H new ATOM 1026 N THR A 72 23.250 20.678 -30.917 1.00 0.00 N ATOM 1027 CA THR A 72 22.014 21.342 -31.302 1.00 0.00 C ATOM 1028 C THR A 72 21.448 20.742 -32.582 1.00 0.00 C ATOM 1029 O THR A 72 21.609 21.301 -33.667 1.00 0.00 O ATOM 1030 CB THR A 72 22.229 22.853 -31.505 1.00 0.00 C ATOM 1031 OG1 THR A 72 23.547 23.098 -32.011 1.00 0.00 O ATOM 1032 CG2 THR A 72 22.036 23.598 -30.195 1.00 0.00 C ATOM 0 H THR A 72 23.834 20.386 -31.701 1.00 0.00 H new ATOM 0 HA THR A 72 21.304 21.191 -30.488 1.00 0.00 H new ATOM 0 HB THR A 72 21.495 23.213 -32.226 1.00 0.00 H new ATOM 0 HG1 THR A 72 23.675 24.061 -32.139 1.00 0.00 H new ATOM 0 HG21 THR A 72 22.192 24.665 -30.357 1.00 0.00 H new ATOM 0 HG22 THR A 72 21.024 23.431 -29.827 1.00 0.00 H new ATOM 0 HG23 THR A 72 22.754 23.234 -29.460 1.00 0.00 H new ATOM 1040 N GLU A 73 20.790 19.596 -32.448 1.00 0.00 N ATOM 1041 CA GLU A 73 20.205 18.915 -33.596 1.00 0.00 C ATOM 1042 C GLU A 73 18.734 18.594 -33.353 1.00 0.00 C ATOM 1043 O GLU A 73 17.912 18.672 -34.265 1.00 0.00 O ATOM 1044 CB GLU A 73 20.980 17.632 -33.896 1.00 0.00 C ATOM 1045 CG GLU A 73 22.133 17.834 -34.866 1.00 0.00 C ATOM 1046 CD GLU A 73 21.667 18.269 -36.242 1.00 0.00 C ATOM 1047 OE1 GLU A 73 20.458 18.136 -36.529 1.00 0.00 O ATOM 1048 OE2 GLU A 73 22.509 18.744 -37.032 1.00 0.00 O ATOM 0 H GLU A 73 20.649 19.120 -31.557 1.00 0.00 H new ATOM 0 HA GLU A 73 20.269 19.582 -34.456 1.00 0.00 H new ATOM 0 HB2 GLU A 73 21.368 17.224 -32.962 1.00 0.00 H new ATOM 0 HB3 GLU A 73 20.295 16.891 -34.307 1.00 0.00 H new ATOM 0 HG2 GLU A 73 22.815 18.583 -34.464 1.00 0.00 H new ATOM 0 HG3 GLU A 73 22.696 16.905 -34.954 1.00 0.00 H new ATOM 1055 N GLY A 74 18.411 18.229 -32.118 1.00 0.00 N ATOM 1056 CA GLY A 74 17.040 17.899 -31.777 1.00 0.00 C ATOM 1057 C GLY A 74 16.402 18.923 -30.859 1.00 0.00 C ATOM 1058 O GLY A 74 15.910 18.584 -29.784 1.00 0.00 O ATOM 0 H GLY A 74 19.074 18.156 -31.346 1.00 0.00 H new ATOM 0 HA2 GLY A 74 16.452 17.820 -32.691 1.00 0.00 H new ATOM 0 HA3 GLY A 74 17.015 16.921 -31.297 1.00 0.00 H new ATOM 1122 N HIS A 79 19.093 26.206 -28.154 1.00 0.00 N ATOM 1123 CA HIS A 79 19.974 25.998 -27.009 1.00 0.00 C ATOM 1124 C HIS A 79 20.656 24.634 -27.079 1.00 0.00 C ATOM 1125 O HIS A 79 20.030 23.634 -27.430 1.00 0.00 O ATOM 1126 CB HIS A 79 19.193 26.114 -25.697 1.00 0.00 C ATOM 1127 CG HIS A 79 17.708 26.200 -25.881 1.00 0.00 C ATOM 1128 ND1 HIS A 79 16.941 25.139 -26.313 1.00 0.00 N ATOM 1129 CD2 HIS A 79 16.848 27.226 -25.679 1.00 0.00 C ATOM 1130 CE1 HIS A 79 15.674 25.510 -26.370 1.00 0.00 C ATOM 1131 NE2 HIS A 79 15.591 26.771 -25.990 1.00 0.00 N ATOM 0 HA HIS A 79 20.740 26.773 -27.039 1.00 0.00 H new ATOM 0 HB2 HIS A 79 19.423 25.252 -25.071 1.00 0.00 H new ATOM 0 HB3 HIS A 79 19.535 26.998 -25.159 1.00 0.00 H new ATOM 0 HD1 HIS A 79 17.296 24.213 -26.551 1.00 0.00 H new ATOM 0 HD2 HIS A 79 17.104 28.218 -25.337 1.00 0.00 H new ATOM 0 HE1 HIS A 79 14.847 24.887 -26.676 1.00 0.00 H new ATOM 1140 N LEU A 80 21.938 24.600 -26.728 1.00 0.00 N ATOM 1141 CA LEU A 80 22.699 23.354 -26.737 1.00 0.00 C ATOM 1142 C LEU A 80 22.109 22.372 -25.734 1.00 0.00 C ATOM 1143 O LEU A 80 21.656 22.771 -24.662 1.00 0.00 O ATOM 1144 CB LEU A 80 24.167 23.620 -26.396 1.00 0.00 C ATOM 1145 CG LEU A 80 25.087 23.838 -27.597 1.00 0.00 C ATOM 1146 CD1 LEU A 80 24.657 25.067 -28.381 1.00 0.00 C ATOM 1147 CD2 LEU A 80 26.533 23.975 -27.141 1.00 0.00 C ATOM 0 H LEU A 80 22.471 25.419 -26.434 1.00 0.00 H new ATOM 0 HA LEU A 80 22.642 22.923 -27.737 1.00 0.00 H new ATOM 0 HB2 LEU A 80 24.220 24.499 -25.754 1.00 0.00 H new ATOM 0 HB3 LEU A 80 24.547 22.779 -25.816 1.00 0.00 H new ATOM 0 HG LEU A 80 25.012 22.969 -28.251 1.00 0.00 H new ATOM 0 HD11 LEU A 80 25.323 25.207 -29.232 1.00 0.00 H new ATOM 0 HD12 LEU A 80 23.636 24.932 -28.738 1.00 0.00 H new ATOM 0 HD13 LEU A 80 24.703 25.945 -27.736 1.00 0.00 H new ATOM 0 HD21 LEU A 80 27.175 24.130 -28.008 1.00 0.00 H new ATOM 0 HD22 LEU A 80 26.623 24.827 -26.467 1.00 0.00 H new ATOM 0 HD23 LEU A 80 26.838 23.067 -26.621 1.00 0.00 H new ATOM 1159 N TRP A 81 22.112 21.092 -26.083 1.00 0.00 N ATOM 1160 CA TRP A 81 21.565 20.070 -25.200 1.00 0.00 C ATOM 1161 C TRP A 81 22.357 18.771 -25.293 1.00 0.00 C ATOM 1162 O TRP A 81 23.012 18.498 -26.299 1.00 0.00 O ATOM 1163 CB TRP A 81 20.100 19.809 -25.547 1.00 0.00 C ATOM 1164 CG TRP A 81 19.911 19.269 -26.932 1.00 0.00 C ATOM 1165 CD1 TRP A 81 19.703 19.991 -28.074 1.00 0.00 C ATOM 1166 CD2 TRP A 81 19.913 17.891 -27.322 1.00 0.00 C ATOM 1167 NE1 TRP A 81 19.573 19.144 -29.148 1.00 0.00 N ATOM 1168 CE2 TRP A 81 19.699 17.850 -28.712 1.00 0.00 C ATOM 1169 CE3 TRP A 81 20.076 16.689 -26.629 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 19.641 16.652 -29.422 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 20.019 15.501 -27.334 1.00 0.00 C ATOM 1172 CH2 TRP A 81 19.805 15.491 -28.717 1.00 0.00 C ATOM 0 H TRP A 81 22.484 20.738 -26.964 1.00 0.00 H new ATOM 0 HA TRP A 81 21.638 20.438 -24.177 1.00 0.00 H new ATOM 0 HB2 TRP A 81 19.683 19.104 -24.828 1.00 0.00 H new ATOM 0 HB3 TRP A 81 19.538 20.737 -25.446 1.00 0.00 H new ATOM 0 HD1 TRP A 81 19.649 21.068 -28.125 1.00 0.00 H new ATOM 0 HE1 TRP A 81 19.409 19.431 -30.113 1.00 0.00 H new ATOM 0 HE3 TRP A 81 20.243 16.688 -25.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 19.473 16.641 -30.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 20.142 14.565 -26.809 1.00 0.00 H new ATOM 0 HH2 TRP A 81 19.769 14.546 -29.239 1.00 0.00 H new ATOM 1183 N CYS A 82 22.281 17.971 -24.235 1.00 0.00 N ATOM 1184 CA CYS A 82 22.977 16.692 -24.186 1.00 0.00 C ATOM 1185 C CYS A 82 22.034 15.596 -23.697 1.00 0.00 C ATOM 1186 O CYS A 82 20.892 15.869 -23.329 1.00 0.00 O ATOM 1187 CB CYS A 82 24.198 16.783 -23.267 1.00 0.00 C ATOM 1188 SG CYS A 82 23.801 16.723 -21.490 1.00 0.00 S ATOM 0 H CYS A 82 21.742 18.188 -23.397 1.00 0.00 H new ATOM 0 HA CYS A 82 23.315 16.443 -25.192 1.00 0.00 H new ATOM 0 HB2 CYS A 82 24.879 15.965 -23.504 1.00 0.00 H new ATOM 0 HB3 CYS A 82 24.729 17.711 -23.478 1.00 0.00 H new ATOM 1193 N SER A 83 22.515 14.359 -23.700 1.00 0.00 N ATOM 1194 CA SER A 83 21.705 13.229 -23.257 1.00 0.00 C ATOM 1195 C SER A 83 22.063 12.826 -21.832 1.00 0.00 C ATOM 1196 O SER A 83 23.205 12.978 -21.404 1.00 0.00 O ATOM 1197 CB SER A 83 21.896 12.040 -24.199 1.00 0.00 C ATOM 1198 OG SER A 83 23.141 11.403 -23.972 1.00 0.00 O ATOM 0 H SER A 83 23.457 14.112 -24.003 1.00 0.00 H new ATOM 0 HA SER A 83 20.659 13.535 -23.275 1.00 0.00 H new ATOM 0 HB2 SER A 83 21.086 11.324 -24.055 1.00 0.00 H new ATOM 0 HB3 SER A 83 21.841 12.379 -25.233 1.00 0.00 H new ATOM 0 HG SER A 83 23.752 11.607 -24.711 1.00 0.00 H new ATOM 1204 N THR A 84 21.080 12.312 -21.101 1.00 0.00 N ATOM 1205 CA THR A 84 21.296 11.886 -19.725 1.00 0.00 C ATOM 1206 C THR A 84 20.986 10.402 -19.556 1.00 0.00 C ATOM 1207 O THR A 84 21.509 9.747 -18.654 1.00 0.00 O ATOM 1208 CB THR A 84 20.432 12.698 -18.743 1.00 0.00 C ATOM 1209 OG1 THR A 84 19.046 12.536 -19.059 1.00 0.00 O ATOM 1210 CG2 THR A 84 20.801 14.174 -18.796 1.00 0.00 C ATOM 0 H THR A 84 20.127 12.181 -21.439 1.00 0.00 H new ATOM 0 HA THR A 84 22.348 12.062 -19.499 1.00 0.00 H new ATOM 0 HB THR A 84 20.618 12.327 -17.735 1.00 0.00 H new ATOM 0 HG1 THR A 84 18.949 12.333 -20.013 1.00 0.00 H new ATOM 0 HG21 THR A 84 20.179 14.730 -18.095 1.00 0.00 H new ATOM 0 HG22 THR A 84 21.850 14.297 -18.527 1.00 0.00 H new ATOM 0 HG23 THR A 84 20.639 14.554 -19.805 1.00 0.00 H new ATOM 1218 N THR A 85 20.140 9.876 -20.435 1.00 0.00 N ATOM 1219 CA THR A 85 19.767 8.468 -20.393 1.00 0.00 C ATOM 1220 C THR A 85 20.246 7.749 -21.648 1.00 0.00 C ATOM 1221 O THR A 85 19.955 8.174 -22.765 1.00 0.00 O ATOM 1222 CB THR A 85 18.241 8.291 -20.259 1.00 0.00 C ATOM 1223 OG1 THR A 85 17.815 8.681 -18.948 1.00 0.00 O ATOM 1224 CG2 THR A 85 17.837 6.847 -20.522 1.00 0.00 C ATOM 0 H THR A 85 19.699 10.406 -21.187 1.00 0.00 H new ATOM 0 HA THR A 85 20.247 8.033 -19.516 1.00 0.00 H new ATOM 0 HB THR A 85 17.758 8.927 -21.001 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.838 8.624 -18.891 1.00 0.00 H new ATOM 0 HG21 THR A 85 16.756 6.748 -20.422 1.00 0.00 H new ATOM 0 HG22 THR A 85 18.135 6.564 -21.531 1.00 0.00 H new ATOM 0 HG23 THR A 85 18.330 6.194 -19.802 1.00 0.00 H new ATOM 1232 N SER A 86 20.982 6.658 -21.459 1.00 0.00 N ATOM 1233 CA SER A 86 21.501 5.885 -22.582 1.00 0.00 C ATOM 1234 C SER A 86 20.464 5.788 -23.697 1.00 0.00 C ATOM 1235 O SER A 86 20.810 5.673 -24.872 1.00 0.00 O ATOM 1236 CB SER A 86 21.909 4.484 -22.122 1.00 0.00 C ATOM 1237 OG SER A 86 21.804 3.548 -23.180 1.00 0.00 O ATOM 0 H SER A 86 21.232 6.290 -20.541 1.00 0.00 H new ATOM 0 HA SER A 86 22.380 6.399 -22.971 1.00 0.00 H new ATOM 0 HB2 SER A 86 22.934 4.504 -21.751 1.00 0.00 H new ATOM 0 HB3 SER A 86 21.275 4.172 -21.292 1.00 0.00 H new ATOM 0 HG SER A 86 22.072 2.661 -22.860 1.00 0.00 H new ATOM 1243 N ASN A 87 19.191 5.839 -23.317 1.00 0.00 N ATOM 1244 CA ASN A 87 18.102 5.759 -24.282 1.00 0.00 C ATOM 1245 C ASN A 87 17.245 7.021 -24.240 1.00 0.00 C ATOM 1246 O ASN A 87 16.146 7.018 -23.685 1.00 0.00 O ATOM 1247 CB ASN A 87 17.235 4.533 -23.996 1.00 0.00 C ATOM 1248 CG ASN A 87 17.060 3.652 -25.217 1.00 0.00 C ATOM 1249 OD1 ASN A 87 17.429 2.478 -25.207 1.00 0.00 O ATOM 1250 ND2 ASN A 87 16.493 4.217 -26.276 1.00 0.00 N ATOM 0 H ASN A 87 18.889 5.935 -22.347 1.00 0.00 H new ATOM 0 HA ASN A 87 18.535 5.668 -25.278 1.00 0.00 H new ATOM 0 HB2 ASN A 87 17.687 3.951 -23.193 1.00 0.00 H new ATOM 0 HB3 ASN A 87 16.256 4.858 -23.642 1.00 0.00 H new ATOM 0 HD21 ASN A 87 16.348 3.674 -27.127 1.00 0.00 H new ATOM 0 HD22 ASN A 87 16.203 5.194 -26.239 1.00 0.00 H new ATOM 1257 N TYR A 88 17.752 8.097 -24.833 1.00 0.00 N ATOM 1258 CA TYR A 88 17.031 9.364 -24.862 1.00 0.00 C ATOM 1259 C TYR A 88 15.896 9.315 -25.879 1.00 0.00 C ATOM 1260 O TYR A 88 14.959 10.112 -25.818 1.00 0.00 O ATOM 1261 CB TYR A 88 17.988 10.512 -25.195 1.00 0.00 C ATOM 1262 CG TYR A 88 17.300 11.729 -25.776 1.00 0.00 C ATOM 1263 CD1 TYR A 88 16.996 11.796 -27.128 1.00 0.00 C ATOM 1264 CD2 TYR A 88 16.958 12.808 -24.970 1.00 0.00 C ATOM 1265 CE1 TYR A 88 16.368 12.905 -27.664 1.00 0.00 C ATOM 1266 CE2 TYR A 88 16.329 13.920 -25.498 1.00 0.00 C ATOM 1267 CZ TYR A 88 16.037 13.964 -26.845 1.00 0.00 C ATOM 1268 OH TYR A 88 15.413 15.069 -27.375 1.00 0.00 O ATOM 0 H TYR A 88 18.659 8.117 -25.300 1.00 0.00 H new ATOM 0 HA TYR A 88 16.603 9.537 -23.875 1.00 0.00 H new ATOM 0 HB2 TYR A 88 18.520 10.804 -24.290 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.736 10.156 -25.903 1.00 0.00 H new ATOM 0 HD1 TYR A 88 17.254 10.968 -27.772 1.00 0.00 H new ATOM 0 HD2 TYR A 88 17.187 12.777 -23.915 1.00 0.00 H new ATOM 0 HE1 TYR A 88 16.138 12.942 -28.719 1.00 0.00 H new ATOM 0 HE2 TYR A 88 16.068 14.750 -24.859 1.00 0.00 H new ATOM 0 HH TYR A 88 14.456 15.036 -27.166 1.00 0.00 H new ATOM 1278 N GLU A 89 15.985 8.374 -26.812 1.00 0.00 N ATOM 1279 CA GLU A 89 14.965 8.220 -27.842 1.00 0.00 C ATOM 1280 C GLU A 89 13.653 7.731 -27.235 1.00 0.00 C ATOM 1281 O GLU A 89 12.589 7.867 -27.839 1.00 0.00 O ATOM 1282 CB GLU A 89 15.438 7.242 -28.918 1.00 0.00 C ATOM 1283 CG GLU A 89 16.773 7.618 -29.539 1.00 0.00 C ATOM 1284 CD GLU A 89 17.176 6.682 -30.663 1.00 0.00 C ATOM 1285 OE1 GLU A 89 16.687 6.872 -31.797 1.00 0.00 O ATOM 1286 OE2 GLU A 89 17.978 5.761 -30.408 1.00 0.00 O ATOM 0 H GLU A 89 16.753 7.706 -26.876 1.00 0.00 H new ATOM 0 HA GLU A 89 14.795 9.195 -28.299 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.517 6.246 -28.482 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.684 7.187 -29.703 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.718 8.637 -29.922 1.00 0.00 H new ATOM 0 HG3 GLU A 89 17.544 7.608 -28.769 1.00 0.00 H new ATOM 1293 N GLN A 90 13.738 7.162 -26.037 1.00 0.00 N ATOM 1294 CA GLN A 90 12.558 6.652 -25.347 1.00 0.00 C ATOM 1295 C GLN A 90 12.345 7.380 -24.025 1.00 0.00 C ATOM 1296 O GLN A 90 11.213 7.678 -23.643 1.00 0.00 O ATOM 1297 CB GLN A 90 12.693 5.145 -25.110 1.00 0.00 C ATOM 1298 CG GLN A 90 13.364 4.788 -23.793 1.00 0.00 C ATOM 1299 CD GLN A 90 13.254 3.313 -23.463 1.00 0.00 C ATOM 1300 OE1 GLN A 90 14.243 2.580 -23.506 1.00 0.00 O ATOM 1301 NE2 GLN A 90 12.048 2.869 -23.132 1.00 0.00 N ATOM 0 H GLN A 90 14.611 7.042 -25.524 1.00 0.00 H new ATOM 0 HA GLN A 90 11.688 6.832 -25.978 1.00 0.00 H new ATOM 0 HB2 GLN A 90 11.702 4.692 -25.136 1.00 0.00 H new ATOM 0 HB3 GLN A 90 13.265 4.708 -25.929 1.00 0.00 H new ATOM 0 HG2 GLN A 90 14.416 5.069 -23.838 1.00 0.00 H new ATOM 0 HG3 GLN A 90 12.913 5.371 -22.990 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.256 3.512 -23.109 1.00 0.00 H new ATOM 0 HE22 GLN A 90 11.913 1.885 -22.900 1.00 0.00 H new ATOM 1310 N ASP A 91 13.440 7.665 -23.330 1.00 0.00 N ATOM 1311 CA ASP A 91 13.375 8.360 -22.049 1.00 0.00 C ATOM 1312 C ASP A 91 13.058 9.838 -22.251 1.00 0.00 C ATOM 1313 O ASP A 91 12.152 10.381 -21.618 1.00 0.00 O ATOM 1314 CB ASP A 91 14.695 8.207 -21.292 1.00 0.00 C ATOM 1315 CG ASP A 91 14.495 7.706 -19.876 1.00 0.00 C ATOM 1316 OD1 ASP A 91 14.334 6.480 -19.697 1.00 0.00 O ATOM 1317 OD2 ASP A 91 14.501 8.538 -18.945 1.00 0.00 O ATOM 0 H ASP A 91 14.384 7.426 -23.632 1.00 0.00 H new ATOM 0 HA ASP A 91 12.575 7.911 -21.460 1.00 0.00 H new ATOM 0 HB2 ASP A 91 15.342 7.515 -21.831 1.00 0.00 H new ATOM 0 HB3 ASP A 91 15.209 9.168 -21.265 1.00 0.00 H new ATOM 1322 N GLN A 92 13.809 10.484 -23.137 1.00 0.00 N ATOM 1323 CA GLN A 92 13.607 11.899 -23.424 1.00 0.00 C ATOM 1324 C GLN A 92 14.293 12.772 -22.376 1.00 0.00 C ATOM 1325 O GLN A 92 14.079 13.984 -22.327 1.00 0.00 O ATOM 1326 CB GLN A 92 12.113 12.222 -23.472 1.00 0.00 C ATOM 1327 CG GLN A 92 11.772 13.391 -24.381 1.00 0.00 C ATOM 1328 CD GLN A 92 12.346 13.231 -25.776 1.00 0.00 C ATOM 1329 OE1 GLN A 92 12.899 14.173 -26.343 1.00 0.00 O ATOM 1330 NE2 GLN A 92 12.217 12.035 -26.335 1.00 0.00 N ATOM 0 H GLN A 92 14.563 10.050 -23.669 1.00 0.00 H new ATOM 0 HA GLN A 92 14.051 12.113 -24.396 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.570 11.339 -23.810 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.765 12.444 -22.463 1.00 0.00 H new ATOM 0 HG2 GLN A 92 10.689 13.491 -24.447 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.151 14.313 -23.939 1.00 0.00 H new ATOM 0 HE21 GLN A 92 11.751 11.283 -25.828 1.00 0.00 H new ATOM 0 HE22 GLN A 92 12.584 11.868 -27.272 1.00 0.00 H new ATOM 1339 N LYS A 93 15.118 12.149 -21.541 1.00 0.00 N ATOM 1340 CA LYS A 93 15.833 12.870 -20.495 1.00 0.00 C ATOM 1341 C LYS A 93 17.107 13.503 -21.046 1.00 0.00 C ATOM 1342 O LYS A 93 18.098 12.816 -21.296 1.00 0.00 O ATOM 1343 CB LYS A 93 16.174 11.926 -19.339 1.00 0.00 C ATOM 1344 CG LYS A 93 15.003 11.658 -18.407 1.00 0.00 C ATOM 1345 CD LYS A 93 13.730 11.363 -19.181 1.00 0.00 C ATOM 1346 CE LYS A 93 12.818 10.418 -18.416 1.00 0.00 C ATOM 1347 NZ LYS A 93 11.599 11.108 -17.911 1.00 0.00 N ATOM 0 H LYS A 93 15.308 11.147 -21.568 1.00 0.00 H new ATOM 0 HA LYS A 93 15.185 13.665 -20.126 1.00 0.00 H new ATOM 0 HB2 LYS A 93 16.528 10.979 -19.746 1.00 0.00 H new ATOM 0 HB3 LYS A 93 16.996 12.352 -18.763 1.00 0.00 H new ATOM 0 HG2 LYS A 93 15.239 10.815 -17.758 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.845 12.522 -17.762 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.202 12.295 -19.384 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.983 10.924 -20.146 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.525 9.592 -19.064 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.364 9.986 -17.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 11.004 10.429 -17.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.877 11.880 -17.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 11.064 11.498 -18.713 1.00 0.00 H new ATOM 1361 N TYR A 94 17.071 14.818 -21.239 1.00 0.00 N ATOM 1362 CA TYR A 94 18.220 15.546 -21.766 1.00 0.00 C ATOM 1363 C TYR A 94 18.615 16.699 -20.848 1.00 0.00 C ATOM 1364 O TYR A 94 17.899 17.029 -19.902 1.00 0.00 O ATOM 1365 CB TYR A 94 17.913 16.080 -23.168 1.00 0.00 C ATOM 1366 CG TYR A 94 16.940 17.240 -23.179 1.00 0.00 C ATOM 1367 CD1 TYR A 94 15.568 17.020 -23.159 1.00 0.00 C ATOM 1368 CD2 TYR A 94 17.394 18.554 -23.213 1.00 0.00 C ATOM 1369 CE1 TYR A 94 14.676 18.077 -23.172 1.00 0.00 C ATOM 1370 CE2 TYR A 94 16.506 19.615 -23.226 1.00 0.00 C ATOM 1371 CZ TYR A 94 15.150 19.370 -23.205 1.00 0.00 C ATOM 1372 OH TYR A 94 14.264 20.424 -23.218 1.00 0.00 O ATOM 0 H TYR A 94 16.259 15.401 -21.038 1.00 0.00 H new ATOM 0 HA TYR A 94 19.058 14.851 -21.820 1.00 0.00 H new ATOM 0 HB2 TYR A 94 18.844 16.394 -23.639 1.00 0.00 H new ATOM 0 HB3 TYR A 94 17.506 15.271 -23.774 1.00 0.00 H new ATOM 0 HD1 TYR A 94 15.192 16.008 -23.133 1.00 0.00 H new ATOM 0 HD2 TYR A 94 18.456 18.749 -23.230 1.00 0.00 H new ATOM 0 HE1 TYR A 94 13.613 17.889 -23.156 1.00 0.00 H new ATOM 0 HE2 TYR A 94 16.874 20.630 -23.252 1.00 0.00 H new ATOM 0 HH TYR A 94 14.761 21.269 -23.241 1.00 0.00 H new ATOM 1382 N SER A 95 19.758 17.311 -21.143 1.00 0.00 N ATOM 1383 CA SER A 95 20.257 18.433 -20.355 1.00 0.00 C ATOM 1384 C SER A 95 20.831 19.512 -21.267 1.00 0.00 C ATOM 1385 O SER A 95 21.501 19.210 -22.254 1.00 0.00 O ATOM 1386 CB SER A 95 21.327 17.956 -19.370 1.00 0.00 C ATOM 1387 OG SER A 95 21.613 16.580 -19.553 1.00 0.00 O ATOM 0 H SER A 95 20.358 17.048 -21.925 1.00 0.00 H new ATOM 0 HA SER A 95 19.424 18.857 -19.794 1.00 0.00 H new ATOM 0 HB2 SER A 95 22.237 18.541 -19.506 1.00 0.00 H new ATOM 0 HB3 SER A 95 20.987 18.127 -18.349 1.00 0.00 H new ATOM 0 HG SER A 95 22.082 16.454 -20.404 1.00 0.00 H new ATOM 1393 N PHE A 96 20.559 20.770 -20.940 1.00 0.00 N ATOM 1394 CA PHE A 96 21.046 21.886 -21.743 1.00 0.00 C ATOM 1395 C PHE A 96 22.551 22.072 -21.586 1.00 0.00 C ATOM 1396 O PHE A 96 23.212 21.312 -20.881 1.00 0.00 O ATOM 1397 CB PHE A 96 20.323 23.176 -21.356 1.00 0.00 C ATOM 1398 CG PHE A 96 19.020 23.378 -22.077 1.00 0.00 C ATOM 1399 CD1 PHE A 96 18.879 23.003 -23.405 1.00 0.00 C ATOM 1400 CD2 PHE A 96 17.938 23.946 -21.426 1.00 0.00 C ATOM 1401 CE1 PHE A 96 17.681 23.188 -24.067 1.00 0.00 C ATOM 1402 CE2 PHE A 96 16.738 24.134 -22.084 1.00 0.00 C ATOM 1403 CZ PHE A 96 16.610 23.755 -23.407 1.00 0.00 C ATOM 0 H PHE A 96 20.006 21.043 -20.127 1.00 0.00 H new ATOM 0 HA PHE A 96 20.838 21.655 -22.788 1.00 0.00 H new ATOM 0 HB2 PHE A 96 20.137 23.169 -20.282 1.00 0.00 H new ATOM 0 HB3 PHE A 96 20.977 24.024 -21.561 1.00 0.00 H new ATOM 0 HD1 PHE A 96 19.715 22.562 -23.927 1.00 0.00 H new ATOM 0 HD2 PHE A 96 18.033 24.245 -20.393 1.00 0.00 H new ATOM 0 HE1 PHE A 96 17.583 22.889 -25.100 1.00 0.00 H new ATOM 0 HE2 PHE A 96 15.901 24.577 -21.565 1.00 0.00 H new ATOM 0 HZ PHE A 96 15.673 23.902 -23.924 1.00 0.00 H new ATOM 1413 N CYS A 97 23.080 23.092 -22.254 1.00 0.00 N ATOM 1414 CA CYS A 97 24.506 23.393 -22.198 1.00 0.00 C ATOM 1415 C CYS A 97 24.769 24.828 -22.640 1.00 0.00 C ATOM 1416 O CYS A 97 25.463 25.067 -23.628 1.00 0.00 O ATOM 1417 CB CYS A 97 25.288 22.426 -23.088 1.00 0.00 C ATOM 1418 SG CYS A 97 25.434 20.742 -22.410 1.00 0.00 S ATOM 0 H CYS A 97 22.540 23.726 -22.843 1.00 0.00 H new ATOM 0 HA CYS A 97 24.839 23.277 -21.167 1.00 0.00 H new ATOM 0 HB2 CYS A 97 24.802 22.373 -24.062 1.00 0.00 H new ATOM 0 HB3 CYS A 97 26.288 22.828 -23.252 1.00 0.00 H new ATOM 1423 N THR A 98 24.203 25.779 -21.900 1.00 0.00 N ATOM 1424 CA THR A 98 24.367 27.196 -22.211 1.00 0.00 C ATOM 1425 C THR A 98 25.737 27.478 -22.819 1.00 0.00 C ATOM 1426 O THR A 98 25.881 28.365 -23.661 1.00 0.00 O ATOM 1427 CB THR A 98 24.188 28.069 -20.954 1.00 0.00 C ATOM 1428 OG1 THR A 98 25.030 29.225 -21.036 1.00 0.00 O ATOM 1429 CG2 THR A 98 24.522 27.279 -19.698 1.00 0.00 C ATOM 0 H THR A 98 23.626 25.593 -21.080 1.00 0.00 H new ATOM 0 HA THR A 98 23.595 27.449 -22.938 1.00 0.00 H new ATOM 0 HB THR A 98 23.146 28.384 -20.901 1.00 0.00 H new ATOM 0 HG1 THR A 98 24.909 29.775 -20.234 1.00 0.00 H new ATOM 0 HG21 THR A 98 24.389 27.914 -18.822 1.00 0.00 H new ATOM 0 HG22 THR A 98 23.860 26.416 -19.624 1.00 0.00 H new ATOM 0 HG23 THR A 98 25.557 26.940 -19.746 1.00 0.00 H new