USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=29 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 87 ASN : amide:sc= -1.74 X(o=-3,f=-2.9!) USER MOD Set 1.2: A 90 GLN : amide:sc= -1.25 K(o=-3,f=-4.2) USER MOD Set 2.1: A 51 SER OG : rot -110:sc= -0.226 USER MOD Set 2.2: A 84 THR OG1 : rot -76:sc= -0.13 USER MOD Set 3.1: A 62 TYR OH : rot 110:sc= 0 USER MOD Set 3.2: A 63 ASN : amide:sc= -2.84 K(o=-2.8,f=-4.9!) USER MOD Set 4.1: A 17 GLN : amide:sc= -0.0139 K(o=-0.73,f=-1.3) USER MOD Set 4.2: A 30 THR OG1 : rot -8:sc= -0.715 USER MOD Single : A 3 HIS :FLIP no HE2:sc= -10.5! C(o=-11!,f=-11!) USER MOD Single : A 6 THR OG1 : rot 150:sc= -0.28 USER MOD Single : A 8 SER OG : rot -58:sc= 0.206 USER MOD Single : A 12 TYR OH : rot -88:sc= 1.49 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl -168:sc=-0.000386 (180deg=-0.19) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -1.05 K(o=-1,f=-2.4!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 46 THR OG1 : rot 174:sc= 1.17 USER MOD Single : A 47 TYR OH : rot 150:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.571 X(o=-0.57,f=-0.16) USER MOD Single : A 52 ASN :FLIP amide:sc= -1.16! C(o=-2.1!,f=-1.2!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 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 -15:sc= 0.836 USER MOD Single : A 71 THR OG1 : rot 168:sc= -0.913 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.399 X(o=-0.4,f=-0.89) USER MOD Single : A 83 SER OG : rot -149:sc= -0.744! USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.358 X(o=-0.36,f=-0.1) USER MOD Single : A 93 LYS NZ :NH3+ -119:sc= 0.682 (180deg=-0.959) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 100:sc= -2.35! USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 46.404 5.489 -40.874 1.00 0.00 N ATOM 32 CA HIS A 3 45.831 4.632 -39.845 1.00 0.00 C ATOM 33 C HIS A 3 46.221 5.113 -38.450 1.00 0.00 C ATOM 34 O HIS A 3 47.309 5.653 -38.252 1.00 0.00 O ATOM 35 CB HIS A 3 46.296 3.190 -40.056 1.00 0.00 C ATOM 36 CG HIS A 3 46.191 2.335 -38.832 1.00 0.00 C ATOM 37 ND1 HIS A 3 45.117 1.762 -38.242 1.00 0.00 N flip ATOM 38 CD2 HIS A 3 47.280 1.983 -38.067 1.00 0.00 C flip ATOM 39 CE1 HIS A 3 45.573 1.080 -37.137 1.00 0.00 C flip ATOM 40 NE2 HIS A 3 46.883 1.229 -37.059 1.00 0.00 N flip ATOM 0 HA HIS A 3 44.745 4.677 -39.924 1.00 0.00 H new ATOM 0 HB2 HIS A 3 45.704 2.741 -40.853 1.00 0.00 H new ATOM 0 HB3 HIS A 3 47.332 3.198 -40.394 1.00 0.00 H new ATOM 0 HD1 HIS A 3 44.149 1.824 -38.557 1.00 0.00 H new ATOM 0 HD2 HIS A 3 48.301 2.278 -38.261 1.00 0.00 H new ATOM 0 HE1 HIS A 3 44.961 0.517 -36.448 1.00 0.00 H new ATOM 49 N CYS A 4 45.328 4.908 -37.484 1.00 0.00 N ATOM 50 CA CYS A 4 45.588 5.318 -36.107 1.00 0.00 C ATOM 51 C CYS A 4 45.372 4.154 -35.148 1.00 0.00 C ATOM 52 O CYS A 4 44.361 3.456 -35.221 1.00 0.00 O ATOM 53 CB CYS A 4 44.691 6.494 -35.714 1.00 0.00 C ATOM 54 SG CYS A 4 43.087 6.539 -36.581 1.00 0.00 S ATOM 0 H CYS A 4 44.422 4.462 -37.629 1.00 0.00 H new ATOM 0 HA CYS A 4 46.629 5.635 -36.042 1.00 0.00 H new ATOM 0 HB2 CYS A 4 44.509 6.454 -34.640 1.00 0.00 H new ATOM 0 HB3 CYS A 4 45.224 7.424 -35.912 1.00 0.00 H new ATOM 59 N VAL A 5 46.328 3.949 -34.250 1.00 0.00 N ATOM 60 CA VAL A 5 46.243 2.867 -33.278 1.00 0.00 C ATOM 61 C VAL A 5 46.490 3.379 -31.862 1.00 0.00 C ATOM 62 O VAL A 5 47.246 4.329 -31.659 1.00 0.00 O ATOM 63 CB VAL A 5 47.251 1.747 -33.597 1.00 0.00 C ATOM 64 CG1 VAL A 5 48.647 2.120 -33.117 1.00 0.00 C ATOM 65 CG2 VAL A 5 46.800 0.430 -32.986 1.00 0.00 C ATOM 0 H VAL A 5 47.171 4.518 -34.175 1.00 0.00 H new ATOM 0 HA VAL A 5 45.233 2.462 -33.340 1.00 0.00 H new ATOM 0 HB VAL A 5 47.291 1.623 -34.679 1.00 0.00 H new ATOM 0 HG11 VAL A 5 49.341 1.313 -33.354 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.970 3.034 -33.614 1.00 0.00 H new ATOM 0 HG13 VAL A 5 48.630 2.280 -32.039 1.00 0.00 H new ATOM 0 HG21 VAL A 5 47.525 -0.348 -33.223 1.00 0.00 H new ATOM 0 HG22 VAL A 5 46.724 0.538 -31.904 1.00 0.00 H new ATOM 0 HG23 VAL A 5 45.827 0.155 -33.393 1.00 0.00 H new ATOM 75 N THR A 6 45.848 2.743 -30.888 1.00 0.00 N ATOM 76 CA THR A 6 45.998 3.133 -29.493 1.00 0.00 C ATOM 77 C THR A 6 47.341 2.675 -28.937 1.00 0.00 C ATOM 78 O THR A 6 48.180 3.495 -28.561 1.00 0.00 O ATOM 79 CB THR A 6 44.869 2.552 -28.623 1.00 0.00 C ATOM 80 OG1 THR A 6 44.842 1.124 -28.745 1.00 0.00 O ATOM 81 CG2 THR A 6 43.521 3.128 -29.031 1.00 0.00 C ATOM 0 H THR A 6 45.219 1.955 -31.040 1.00 0.00 H new ATOM 0 HA THR A 6 45.947 4.221 -29.461 1.00 0.00 H new ATOM 0 HB THR A 6 45.062 2.823 -27.585 1.00 0.00 H new ATOM 0 HG1 THR A 6 44.511 0.731 -27.911 1.00 0.00 H new ATOM 0 HG21 THR A 6 42.738 2.703 -28.403 1.00 0.00 H new ATOM 0 HG22 THR A 6 43.536 4.211 -28.909 1.00 0.00 H new ATOM 0 HG23 THR A 6 43.321 2.883 -30.074 1.00 0.00 H new ATOM 89 N ASP A 7 47.540 1.362 -28.888 1.00 0.00 N ATOM 90 CA ASP A 7 48.784 0.797 -28.378 1.00 0.00 C ATOM 91 C ASP A 7 48.978 -0.630 -28.874 1.00 0.00 C ATOM 92 O ASP A 7 50.048 -0.987 -29.367 1.00 0.00 O ATOM 93 CB ASP A 7 48.792 0.826 -26.848 1.00 0.00 C ATOM 94 CG ASP A 7 49.975 0.081 -26.262 1.00 0.00 C ATOM 95 OD1 ASP A 7 49.981 -1.166 -26.322 1.00 0.00 O ATOM 96 OD2 ASP A 7 50.896 0.746 -25.742 1.00 0.00 O ATOM 0 H ASP A 7 46.857 0.670 -29.195 1.00 0.00 H new ATOM 0 HA ASP A 7 49.609 1.405 -28.750 1.00 0.00 H new ATOM 0 HB2 ASP A 7 48.813 1.861 -26.507 1.00 0.00 H new ATOM 0 HB3 ASP A 7 47.868 0.386 -26.474 1.00 0.00 H new ATOM 101 N SER A 8 47.937 -1.441 -28.740 1.00 0.00 N ATOM 102 CA SER A 8 47.990 -2.833 -29.173 1.00 0.00 C ATOM 103 C SER A 8 46.633 -3.510 -29.004 1.00 0.00 C ATOM 104 O SER A 8 46.547 -4.635 -28.510 1.00 0.00 O ATOM 105 CB SER A 8 49.055 -3.594 -28.380 1.00 0.00 C ATOM 106 OG SER A 8 49.326 -4.855 -28.967 1.00 0.00 O ATOM 0 H SER A 8 47.044 -1.160 -28.335 1.00 0.00 H new ATOM 0 HA SER A 8 48.253 -2.848 -30.231 1.00 0.00 H new ATOM 0 HB2 SER A 8 49.971 -3.005 -28.338 1.00 0.00 H new ATOM 0 HB3 SER A 8 48.718 -3.733 -27.353 1.00 0.00 H new ATOM 0 HG SER A 8 48.498 -5.378 -29.016 1.00 0.00 H new ATOM 112 N GLY A 9 45.576 -2.819 -29.418 1.00 0.00 N ATOM 113 CA GLY A 9 44.238 -3.370 -29.303 1.00 0.00 C ATOM 114 C GLY A 9 43.289 -2.805 -30.339 1.00 0.00 C ATOM 115 O GLY A 9 42.678 -3.549 -31.106 1.00 0.00 O ATOM 0 H GLY A 9 45.622 -1.887 -29.831 1.00 0.00 H new ATOM 0 HA2 GLY A 9 44.284 -4.454 -29.410 1.00 0.00 H new ATOM 0 HA3 GLY A 9 43.848 -3.164 -28.306 1.00 0.00 H new ATOM 119 N VAL A 10 43.168 -1.484 -30.361 1.00 0.00 N ATOM 120 CA VAL A 10 42.289 -0.811 -31.310 1.00 0.00 C ATOM 121 C VAL A 10 43.040 -0.438 -32.583 1.00 0.00 C ATOM 122 O VAL A 10 44.251 -0.218 -32.559 1.00 0.00 O ATOM 123 CB VAL A 10 41.671 0.460 -30.700 1.00 0.00 C ATOM 124 CG1 VAL A 10 40.297 0.726 -31.295 1.00 0.00 C ATOM 125 CG2 VAL A 10 41.588 0.337 -29.185 1.00 0.00 C ATOM 0 H VAL A 10 43.668 -0.856 -29.732 1.00 0.00 H new ATOM 0 HA VAL A 10 41.490 -1.512 -31.554 1.00 0.00 H new ATOM 0 HB VAL A 10 42.315 1.306 -30.940 1.00 0.00 H new ATOM 0 HG11 VAL A 10 39.877 1.628 -30.851 1.00 0.00 H new ATOM 0 HG12 VAL A 10 40.387 0.860 -32.373 1.00 0.00 H new ATOM 0 HG13 VAL A 10 39.641 -0.120 -31.088 1.00 0.00 H new ATOM 0 HG21 VAL A 10 41.149 1.244 -28.770 1.00 0.00 H new ATOM 0 HG22 VAL A 10 40.967 -0.520 -28.923 1.00 0.00 H new ATOM 0 HG23 VAL A 10 42.589 0.198 -28.776 1.00 0.00 H new ATOM 135 N VAL A 11 42.314 -0.370 -33.694 1.00 0.00 N ATOM 136 CA VAL A 11 42.914 -0.025 -34.977 1.00 0.00 C ATOM 137 C VAL A 11 42.099 1.039 -35.702 1.00 0.00 C ATOM 138 O VAL A 11 41.369 0.742 -36.648 1.00 0.00 O ATOM 139 CB VAL A 11 43.047 -1.261 -35.887 1.00 0.00 C ATOM 140 CG1 VAL A 11 43.570 -0.863 -37.258 1.00 0.00 C ATOM 141 CG2 VAL A 11 43.953 -2.301 -35.245 1.00 0.00 C ATOM 0 H VAL A 11 41.311 -0.549 -33.732 1.00 0.00 H new ATOM 0 HA VAL A 11 43.907 0.368 -34.762 1.00 0.00 H new ATOM 0 HB VAL A 11 42.058 -1.702 -36.016 1.00 0.00 H new ATOM 0 HG11 VAL A 11 43.657 -1.750 -37.886 1.00 0.00 H new ATOM 0 HG12 VAL A 11 42.879 -0.158 -37.720 1.00 0.00 H new ATOM 0 HG13 VAL A 11 44.549 -0.396 -37.152 1.00 0.00 H new ATOM 0 HG21 VAL A 11 44.035 -3.167 -35.902 1.00 0.00 H new ATOM 0 HG22 VAL A 11 44.942 -1.872 -35.084 1.00 0.00 H new ATOM 0 HG23 VAL A 11 43.532 -2.610 -34.288 1.00 0.00 H new ATOM 151 N TYR A 12 42.243 2.282 -35.259 1.00 0.00 N ATOM 152 CA TYR A 12 41.535 3.398 -35.872 1.00 0.00 C ATOM 153 C TYR A 12 42.190 3.771 -37.192 1.00 0.00 C ATOM 154 O TYR A 12 43.338 3.416 -37.443 1.00 0.00 O ATOM 155 CB TYR A 12 41.531 4.607 -34.937 1.00 0.00 C ATOM 156 CG TYR A 12 40.891 4.335 -33.599 1.00 0.00 C ATOM 157 CD1 TYR A 12 39.521 4.151 -33.489 1.00 0.00 C ATOM 158 CD2 TYR A 12 41.662 4.256 -32.448 1.00 0.00 C ATOM 159 CE1 TYR A 12 38.932 3.895 -32.266 1.00 0.00 C ATOM 160 CE2 TYR A 12 41.082 4.001 -31.220 1.00 0.00 C ATOM 161 CZ TYR A 12 39.717 3.821 -31.134 1.00 0.00 C ATOM 162 OH TYR A 12 39.135 3.563 -29.914 1.00 0.00 O ATOM 0 H TYR A 12 42.844 2.542 -34.477 1.00 0.00 H new ATOM 0 HA TYR A 12 40.505 3.093 -36.057 1.00 0.00 H new ATOM 0 HB2 TYR A 12 42.558 4.936 -34.779 1.00 0.00 H new ATOM 0 HB3 TYR A 12 41.004 5.429 -35.422 1.00 0.00 H new ATOM 0 HD1 TYR A 12 38.904 4.209 -34.374 1.00 0.00 H new ATOM 0 HD2 TYR A 12 42.731 4.396 -32.513 1.00 0.00 H new ATOM 0 HE1 TYR A 12 37.864 3.754 -32.196 1.00 0.00 H new ATOM 0 HE2 TYR A 12 41.694 3.943 -30.332 1.00 0.00 H new ATOM 0 HH TYR A 12 38.857 4.406 -29.499 1.00 0.00 H new ATOM 172 N SER A 13 41.461 4.489 -38.032 1.00 0.00 N ATOM 173 CA SER A 13 41.988 4.904 -39.324 1.00 0.00 C ATOM 174 C SER A 13 42.073 6.422 -39.423 1.00 0.00 C ATOM 175 O SER A 13 41.369 7.143 -38.715 1.00 0.00 O ATOM 176 CB SER A 13 41.120 4.348 -40.452 1.00 0.00 C ATOM 177 OG SER A 13 41.453 3.000 -40.736 1.00 0.00 O ATOM 0 H SER A 13 40.507 4.796 -37.844 1.00 0.00 H new ATOM 0 HA SER A 13 42.997 4.503 -39.421 1.00 0.00 H new ATOM 0 HB2 SER A 13 40.069 4.415 -40.172 1.00 0.00 H new ATOM 0 HB3 SER A 13 41.251 4.955 -41.348 1.00 0.00 H new ATOM 0 HG SER A 13 40.882 2.668 -41.460 1.00 0.00 H new ATOM 183 N VAL A 14 42.947 6.898 -40.301 1.00 0.00 N ATOM 184 CA VAL A 14 43.142 8.328 -40.497 1.00 0.00 C ATOM 185 C VAL A 14 41.832 9.098 -40.367 1.00 0.00 C ATOM 186 O VAL A 14 41.121 9.308 -41.351 1.00 0.00 O ATOM 187 CB VAL A 14 43.762 8.623 -41.876 1.00 0.00 C ATOM 188 CG1 VAL A 14 43.061 7.817 -42.958 1.00 0.00 C ATOM 189 CG2 VAL A 14 43.704 10.112 -42.185 1.00 0.00 C ATOM 0 H VAL A 14 43.535 6.310 -40.892 1.00 0.00 H new ATOM 0 HA VAL A 14 43.826 8.659 -39.715 1.00 0.00 H new ATOM 0 HB VAL A 14 44.810 8.324 -41.853 1.00 0.00 H new ATOM 0 HG11 VAL A 14 43.512 8.038 -43.926 1.00 0.00 H new ATOM 0 HG12 VAL A 14 43.164 6.753 -42.744 1.00 0.00 H new ATOM 0 HG13 VAL A 14 42.004 8.081 -42.981 1.00 0.00 H new ATOM 0 HG21 VAL A 14 44.147 10.298 -43.163 1.00 0.00 H new ATOM 0 HG22 VAL A 14 42.665 10.443 -42.188 1.00 0.00 H new ATOM 0 HG23 VAL A 14 44.258 10.663 -41.425 1.00 0.00 H new ATOM 199 N GLY A 15 41.527 9.529 -39.149 1.00 0.00 N ATOM 200 CA GLY A 15 40.314 10.287 -38.910 1.00 0.00 C ATOM 201 C GLY A 15 39.102 9.418 -38.648 1.00 0.00 C ATOM 202 O GLY A 15 38.091 9.528 -39.342 1.00 0.00 O ATOM 0 H GLY A 15 42.100 9.366 -38.321 1.00 0.00 H new ATOM 0 HA2 GLY A 15 40.469 10.947 -38.057 1.00 0.00 H new ATOM 0 HA3 GLY A 15 40.116 10.923 -39.773 1.00 0.00 H new ATOM 206 N MET A 16 39.193 8.564 -37.637 1.00 0.00 N ATOM 207 CA MET A 16 38.084 7.690 -37.280 1.00 0.00 C ATOM 208 C MET A 16 37.375 8.217 -36.038 1.00 0.00 C ATOM 209 O MET A 16 36.190 7.960 -35.828 1.00 0.00 O ATOM 210 CB MET A 16 38.580 6.264 -37.039 1.00 0.00 C ATOM 211 CG MET A 16 37.995 5.249 -38.008 1.00 0.00 C ATOM 212 SD MET A 16 36.652 4.291 -37.283 1.00 0.00 S ATOM 213 CE MET A 16 37.516 2.786 -36.841 1.00 0.00 C ATOM 0 H MET A 16 40.021 8.458 -37.051 1.00 0.00 H new ATOM 0 HA MET A 16 37.377 7.675 -38.109 1.00 0.00 H new ATOM 0 HB2 MET A 16 39.667 6.247 -37.119 1.00 0.00 H new ATOM 0 HB3 MET A 16 38.331 5.968 -36.020 1.00 0.00 H new ATOM 0 HG2 MET A 16 37.629 5.768 -38.894 1.00 0.00 H new ATOM 0 HG3 MET A 16 38.783 4.571 -38.338 1.00 0.00 H new ATOM 0 HE1 MET A 16 36.792 2.014 -36.579 1.00 0.00 H new ATOM 0 HE2 MET A 16 38.115 2.449 -37.687 1.00 0.00 H new ATOM 0 HE3 MET A 16 38.167 2.977 -35.988 1.00 0.00 H new ATOM 223 N GLN A 17 38.115 8.966 -35.226 1.00 0.00 N ATOM 224 CA GLN A 17 37.571 9.547 -34.004 1.00 0.00 C ATOM 225 C GLN A 17 36.988 8.474 -33.092 1.00 0.00 C ATOM 226 O GLN A 17 36.184 7.646 -33.522 1.00 0.00 O ATOM 227 CB GLN A 17 36.499 10.585 -34.341 1.00 0.00 C ATOM 228 CG GLN A 17 36.890 12.005 -33.962 1.00 0.00 C ATOM 229 CD GLN A 17 35.695 12.860 -33.590 1.00 0.00 C ATOM 230 OE1 GLN A 17 34.572 12.600 -34.021 1.00 0.00 O ATOM 231 NE2 GLN A 17 35.932 13.888 -32.782 1.00 0.00 N ATOM 0 H GLN A 17 39.097 9.185 -35.394 1.00 0.00 H new ATOM 0 HA GLN A 17 38.389 10.035 -33.474 1.00 0.00 H new ATOM 0 HB2 GLN A 17 36.291 10.547 -35.410 1.00 0.00 H new ATOM 0 HB3 GLN A 17 35.575 10.321 -33.827 1.00 0.00 H new ATOM 0 HG2 GLN A 17 37.585 11.975 -33.123 1.00 0.00 H new ATOM 0 HG3 GLN A 17 37.417 12.468 -34.796 1.00 0.00 H new ATOM 0 HE21 GLN A 17 36.879 14.067 -32.448 1.00 0.00 H new ATOM 0 HE22 GLN A 17 35.167 14.498 -32.495 1.00 0.00 H new ATOM 240 N TRP A 18 37.395 8.498 -31.828 1.00 0.00 N ATOM 241 CA TRP A 18 36.911 7.530 -30.852 1.00 0.00 C ATOM 242 C TRP A 18 36.918 8.124 -29.448 1.00 0.00 C ATOM 243 O TRP A 18 37.238 9.298 -29.261 1.00 0.00 O ATOM 244 CB TRP A 18 37.763 6.261 -30.891 1.00 0.00 C ATOM 245 CG TRP A 18 39.126 6.431 -30.288 1.00 0.00 C ATOM 246 CD1 TRP A 18 39.462 6.312 -28.969 1.00 0.00 C ATOM 247 CD2 TRP A 18 40.339 6.747 -30.984 1.00 0.00 C ATOM 248 NE1 TRP A 18 40.807 6.530 -28.804 1.00 0.00 N ATOM 249 CE2 TRP A 18 41.367 6.801 -30.025 1.00 0.00 C ATOM 250 CE3 TRP A 18 40.656 6.989 -32.324 1.00 0.00 C ATOM 251 CZ2 TRP A 18 42.689 7.086 -30.364 1.00 0.00 C ATOM 252 CZ3 TRP A 18 41.966 7.272 -32.658 1.00 0.00 C ATOM 253 CH2 TRP A 18 42.968 7.318 -31.682 1.00 0.00 C ATOM 0 H TRP A 18 38.059 9.177 -31.456 1.00 0.00 H new ATOM 0 HA TRP A 18 35.884 7.273 -31.111 1.00 0.00 H new ATOM 0 HB2 TRP A 18 37.238 5.465 -30.362 1.00 0.00 H new ATOM 0 HB3 TRP A 18 37.871 5.938 -31.927 1.00 0.00 H new ATOM 0 HD1 TRP A 18 38.770 6.080 -28.173 1.00 0.00 H new ATOM 0 HE1 TRP A 18 41.308 6.496 -27.916 1.00 0.00 H new ATOM 0 HE3 TRP A 18 39.890 6.955 -33.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 43.464 7.122 -29.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 42.222 7.461 -33.690 1.00 0.00 H new ATOM 0 HH2 TRP A 18 43.983 7.541 -31.976 1.00 0.00 H new ATOM 264 N LEU A 19 36.563 7.305 -28.464 1.00 0.00 N ATOM 265 CA LEU A 19 36.527 7.749 -27.078 1.00 0.00 C ATOM 266 C LEU A 19 37.370 6.834 -26.197 1.00 0.00 C ATOM 267 O LEU A 19 37.516 5.646 -26.482 1.00 0.00 O ATOM 268 CB LEU A 19 35.084 7.782 -26.566 1.00 0.00 C ATOM 269 CG LEU A 19 34.834 8.732 -25.394 1.00 0.00 C ATOM 270 CD1 LEU A 19 34.894 10.179 -25.857 1.00 0.00 C ATOM 271 CD2 LEU A 19 33.491 8.434 -24.745 1.00 0.00 C ATOM 0 H LEU A 19 36.296 6.330 -28.602 1.00 0.00 H new ATOM 0 HA LEU A 19 36.942 8.756 -27.033 1.00 0.00 H new ATOM 0 HB2 LEU A 19 34.429 8.066 -27.390 1.00 0.00 H new ATOM 0 HB3 LEU A 19 34.799 6.774 -26.264 1.00 0.00 H new ATOM 0 HG LEU A 19 35.617 8.577 -24.652 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.714 10.840 -25.009 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.879 10.386 -26.276 1.00 0.00 H new ATOM 0 HD13 LEU A 19 34.133 10.349 -26.618 1.00 0.00 H new ATOM 0 HD21 LEU A 19 33.329 9.119 -23.913 1.00 0.00 H new ATOM 0 HD22 LEU A 19 32.696 8.561 -25.480 1.00 0.00 H new ATOM 0 HD23 LEU A 19 33.484 7.408 -24.377 1.00 0.00 H new ATOM 283 N LYS A 20 37.925 7.397 -25.131 1.00 0.00 N ATOM 284 CA LYS A 20 38.757 6.629 -24.213 1.00 0.00 C ATOM 285 C LYS A 20 38.231 6.731 -22.785 1.00 0.00 C ATOM 286 O LYS A 20 37.775 7.790 -22.355 1.00 0.00 O ATOM 287 CB LYS A 20 40.205 7.117 -24.281 1.00 0.00 C ATOM 288 CG LYS A 20 41.226 6.056 -23.907 1.00 0.00 C ATOM 289 CD LYS A 20 41.367 5.008 -24.998 1.00 0.00 C ATOM 290 CE LYS A 20 40.616 3.734 -24.646 1.00 0.00 C ATOM 291 NZ LYS A 20 39.964 3.126 -25.839 1.00 0.00 N ATOM 0 H LYS A 20 37.815 8.380 -24.881 1.00 0.00 H new ATOM 0 HA LYS A 20 38.721 5.582 -24.514 1.00 0.00 H new ATOM 0 HB2 LYS A 20 40.413 7.469 -25.291 1.00 0.00 H new ATOM 0 HB3 LYS A 20 40.322 7.972 -23.615 1.00 0.00 H new ATOM 0 HG2 LYS A 20 42.192 6.527 -23.727 1.00 0.00 H new ATOM 0 HG3 LYS A 20 40.927 5.575 -22.976 1.00 0.00 H new ATOM 0 HD2 LYS A 20 40.988 5.407 -25.939 1.00 0.00 H new ATOM 0 HD3 LYS A 20 42.422 4.780 -25.151 1.00 0.00 H new ATOM 0 HE2 LYS A 20 41.307 3.016 -24.204 1.00 0.00 H new ATOM 0 HE3 LYS A 20 39.860 3.955 -23.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 39.463 2.260 -25.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 39.286 3.801 -26.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 40.688 2.892 -26.548 1.00 0.00 H new ATOM 379 N GLN A 26 37.476 9.848 -18.068 1.00 0.00 N ATOM 380 CA GLN A 26 36.906 10.011 -19.401 1.00 0.00 C ATOM 381 C GLN A 26 37.855 10.795 -20.301 1.00 0.00 C ATOM 382 O GLN A 26 38.655 11.599 -19.822 1.00 0.00 O ATOM 383 CB GLN A 26 35.555 10.725 -19.319 1.00 0.00 C ATOM 384 CG GLN A 26 34.364 9.786 -19.435 1.00 0.00 C ATOM 385 CD GLN A 26 33.042 10.490 -19.206 1.00 0.00 C ATOM 386 OE1 GLN A 26 32.529 10.525 -18.088 1.00 0.00 O ATOM 387 NE2 GLN A 26 32.481 11.056 -20.269 1.00 0.00 N ATOM 0 HA GLN A 26 36.758 9.020 -19.831 1.00 0.00 H new ATOM 0 HB2 GLN A 26 35.494 11.262 -18.372 1.00 0.00 H new ATOM 0 HB3 GLN A 26 35.498 11.471 -20.112 1.00 0.00 H new ATOM 0 HG2 GLN A 26 34.361 9.329 -20.425 1.00 0.00 H new ATOM 0 HG3 GLN A 26 34.471 8.978 -18.711 1.00 0.00 H new ATOM 0 HE21 GLN A 26 32.941 11.003 -21.178 1.00 0.00 H new ATOM 0 HE22 GLN A 26 31.590 11.544 -20.176 1.00 0.00 H new ATOM 396 N MET A 27 37.765 10.557 -21.605 1.00 0.00 N ATOM 397 CA MET A 27 38.624 11.244 -22.562 1.00 0.00 C ATOM 398 C MET A 27 38.196 10.951 -23.997 1.00 0.00 C ATOM 399 O MET A 27 37.704 9.864 -24.300 1.00 0.00 O ATOM 400 CB MET A 27 40.082 10.826 -22.358 1.00 0.00 C ATOM 401 CG MET A 27 41.083 11.754 -23.024 1.00 0.00 C ATOM 402 SD MET A 27 42.221 10.881 -24.117 1.00 0.00 S ATOM 403 CE MET A 27 43.581 10.552 -22.999 1.00 0.00 C ATOM 0 H MET A 27 37.109 9.897 -22.022 1.00 0.00 H new ATOM 0 HA MET A 27 38.529 12.316 -22.389 1.00 0.00 H new ATOM 0 HB2 MET A 27 40.293 10.786 -21.289 1.00 0.00 H new ATOM 0 HB3 MET A 27 40.219 9.818 -22.748 1.00 0.00 H new ATOM 0 HG2 MET A 27 40.546 12.511 -23.595 1.00 0.00 H new ATOM 0 HG3 MET A 27 41.653 12.278 -22.257 1.00 0.00 H new ATOM 0 HE1 MET A 27 44.367 10.015 -23.530 1.00 0.00 H new ATOM 0 HE2 MET A 27 43.977 11.494 -22.621 1.00 0.00 H new ATOM 0 HE3 MET A 27 43.228 9.946 -22.165 1.00 0.00 H new ATOM 413 N LEU A 28 38.398 11.927 -24.876 1.00 0.00 N ATOM 414 CA LEU A 28 38.045 11.779 -26.283 1.00 0.00 C ATOM 415 C LEU A 28 39.293 11.857 -27.154 1.00 0.00 C ATOM 416 O LEU A 28 40.018 12.851 -27.128 1.00 0.00 O ATOM 417 CB LEU A 28 37.048 12.862 -26.699 1.00 0.00 C ATOM 418 CG LEU A 28 36.418 12.668 -28.079 1.00 0.00 C ATOM 419 CD1 LEU A 28 34.902 12.737 -27.988 1.00 0.00 C ATOM 420 CD2 LEU A 28 36.944 13.710 -29.054 1.00 0.00 C ATOM 0 H LEU A 28 38.805 12.831 -24.638 1.00 0.00 H new ATOM 0 HA LEU A 28 37.581 10.803 -26.421 1.00 0.00 H new ATOM 0 HB2 LEU A 28 36.252 12.906 -25.956 1.00 0.00 H new ATOM 0 HB3 LEU A 28 37.555 13.827 -26.680 1.00 0.00 H new ATOM 0 HG LEU A 28 36.694 11.680 -28.449 1.00 0.00 H new ATOM 0 HD11 LEU A 28 34.471 12.597 -28.979 1.00 0.00 H new ATOM 0 HD12 LEU A 28 34.541 11.953 -27.322 1.00 0.00 H new ATOM 0 HD13 LEU A 28 34.605 13.710 -27.598 1.00 0.00 H new ATOM 0 HD21 LEU A 28 36.486 13.558 -30.031 1.00 0.00 H new ATOM 0 HD22 LEU A 28 36.698 14.707 -28.689 1.00 0.00 H new ATOM 0 HD23 LEU A 28 38.026 13.613 -29.142 1.00 0.00 H new ATOM 432 N CYS A 29 39.544 10.800 -27.919 1.00 0.00 N ATOM 433 CA CYS A 29 40.713 10.749 -28.789 1.00 0.00 C ATOM 434 C CYS A 29 40.328 10.968 -30.247 1.00 0.00 C ATOM 435 O CYS A 29 39.179 10.755 -30.637 1.00 0.00 O ATOM 436 CB CYS A 29 41.422 9.404 -28.636 1.00 0.00 C ATOM 437 SG CYS A 29 42.749 9.394 -27.387 1.00 0.00 S ATOM 0 H CYS A 29 38.955 9.968 -27.954 1.00 0.00 H new ATOM 0 HA CYS A 29 41.388 11.551 -28.492 1.00 0.00 H new ATOM 0 HB2 CYS A 29 40.685 8.646 -28.372 1.00 0.00 H new ATOM 0 HB3 CYS A 29 41.844 9.117 -29.599 1.00 0.00 H new ATOM 442 N THR A 30 41.299 11.389 -31.051 1.00 0.00 N ATOM 443 CA THR A 30 41.068 11.631 -32.471 1.00 0.00 C ATOM 444 C THR A 30 42.372 11.600 -33.254 1.00 0.00 C ATOM 445 O THR A 30 43.332 12.287 -32.907 1.00 0.00 O ATOM 446 CB THR A 30 40.392 12.994 -32.717 1.00 0.00 C ATOM 447 OG1 THR A 30 39.130 13.047 -32.042 1.00 0.00 O ATOM 448 CG2 THR A 30 40.190 13.230 -34.209 1.00 0.00 C ATOM 0 H THR A 30 42.254 11.570 -30.743 1.00 0.00 H new ATOM 0 HA THR A 30 40.409 10.833 -32.813 1.00 0.00 H new ATOM 0 HB THR A 30 41.042 13.776 -32.324 1.00 0.00 H new ATOM 0 HG1 THR A 30 38.914 12.162 -31.682 1.00 0.00 H new ATOM 0 HG21 THR A 30 39.711 14.197 -34.363 1.00 0.00 H new ATOM 0 HG22 THR A 30 41.156 13.219 -34.713 1.00 0.00 H new ATOM 0 HG23 THR A 30 39.557 12.443 -34.620 1.00 0.00 H new ATOM 456 N CYS A 31 42.396 10.816 -34.325 1.00 0.00 N ATOM 457 CA CYS A 31 43.582 10.723 -35.161 1.00 0.00 C ATOM 458 C CYS A 31 43.437 11.623 -36.379 1.00 0.00 C ATOM 459 O CYS A 31 42.586 11.395 -37.239 1.00 0.00 O ATOM 460 CB CYS A 31 43.836 9.281 -35.596 1.00 0.00 C ATOM 461 SG CYS A 31 42.350 8.371 -36.117 1.00 0.00 S ATOM 0 H CYS A 31 41.612 10.240 -34.632 1.00 0.00 H new ATOM 0 HA CYS A 31 44.438 11.055 -34.574 1.00 0.00 H new ATOM 0 HB2 CYS A 31 44.550 9.285 -36.419 1.00 0.00 H new ATOM 0 HB3 CYS A 31 44.304 8.744 -34.771 1.00 0.00 H new ATOM 466 N LEU A 32 44.270 12.651 -36.437 1.00 0.00 N ATOM 467 CA LEU A 32 44.234 13.601 -37.544 1.00 0.00 C ATOM 468 C LEU A 32 44.948 13.034 -38.767 1.00 0.00 C ATOM 469 O LEU A 32 44.328 12.398 -39.619 1.00 0.00 O ATOM 470 CB LEU A 32 44.869 14.937 -37.138 1.00 0.00 C ATOM 471 CG LEU A 32 45.748 14.895 -35.884 1.00 0.00 C ATOM 472 CD1 LEU A 32 46.744 16.043 -35.890 1.00 0.00 C ATOM 473 CD2 LEU A 32 44.887 14.934 -34.629 1.00 0.00 C ATOM 0 H LEU A 32 44.980 12.851 -35.732 1.00 0.00 H new ATOM 0 HA LEU A 32 43.189 13.776 -37.799 1.00 0.00 H new ATOM 0 HB2 LEU A 32 45.471 15.301 -37.971 1.00 0.00 H new ATOM 0 HB3 LEU A 32 44.073 15.664 -36.978 1.00 0.00 H new ATOM 0 HG LEU A 32 46.308 13.960 -35.886 1.00 0.00 H new ATOM 0 HD11 LEU A 32 47.359 15.996 -34.991 1.00 0.00 H new ATOM 0 HD12 LEU A 32 47.382 15.967 -36.771 1.00 0.00 H new ATOM 0 HD13 LEU A 32 46.206 16.991 -35.912 1.00 0.00 H new ATOM 0 HD21 LEU A 32 45.527 14.903 -33.747 1.00 0.00 H new ATOM 0 HD22 LEU A 32 44.300 15.852 -34.619 1.00 0.00 H new ATOM 0 HD23 LEU A 32 44.217 14.074 -34.621 1.00 0.00 H new ATOM 485 N GLY A 33 46.252 13.266 -38.847 1.00 0.00 N ATOM 486 CA GLY A 33 47.025 12.769 -39.971 1.00 0.00 C ATOM 487 C GLY A 33 48.453 12.434 -39.590 1.00 0.00 C ATOM 488 O GLY A 33 49.013 11.443 -40.060 1.00 0.00 O ATOM 0 H GLY A 33 46.789 13.789 -38.155 1.00 0.00 H new ATOM 0 HA2 GLY A 33 46.542 11.879 -40.375 1.00 0.00 H new ATOM 0 HA3 GLY A 33 47.030 13.517 -40.764 1.00 0.00 H new ATOM 492 N ASN A 34 49.041 13.262 -38.738 1.00 0.00 N ATOM 493 CA ASN A 34 50.412 13.053 -38.291 1.00 0.00 C ATOM 494 C ASN A 34 50.446 12.255 -36.992 1.00 0.00 C ATOM 495 O ASN A 34 51.411 11.544 -36.714 1.00 0.00 O ATOM 496 CB ASN A 34 51.118 14.396 -38.097 1.00 0.00 C ATOM 497 CG ASN A 34 50.410 15.278 -37.088 1.00 0.00 C ATOM 498 OD1 ASN A 34 49.531 16.063 -37.441 1.00 0.00 O ATOM 499 ND2 ASN A 34 50.792 15.153 -35.822 1.00 0.00 N ATOM 0 H ASN A 34 48.590 14.086 -38.342 1.00 0.00 H new ATOM 0 HA ASN A 34 50.935 12.483 -39.059 1.00 0.00 H new ATOM 0 HB2 ASN A 34 52.142 14.221 -37.768 1.00 0.00 H new ATOM 0 HB3 ASN A 34 51.175 14.915 -39.054 1.00 0.00 H new ATOM 0 HD21 ASN A 34 50.352 15.721 -35.098 1.00 0.00 H new ATOM 0 HD22 ASN A 34 51.525 14.489 -35.574 1.00 0.00 H new ATOM 506 N GLY A 35 49.387 12.380 -36.197 1.00 0.00 N ATOM 507 CA GLY A 35 49.321 11.665 -34.937 1.00 0.00 C ATOM 508 C GLY A 35 47.904 11.528 -34.417 1.00 0.00 C ATOM 509 O GLY A 35 46.946 11.531 -35.191 1.00 0.00 O ATOM 0 H GLY A 35 48.576 12.963 -36.403 1.00 0.00 H new ATOM 0 HA2 GLY A 35 49.755 10.673 -35.063 1.00 0.00 H new ATOM 0 HA3 GLY A 35 49.927 12.186 -34.196 1.00 0.00 H new ATOM 513 N VAL A 36 47.770 11.408 -33.100 1.00 0.00 N ATOM 514 CA VAL A 36 46.462 11.269 -32.470 1.00 0.00 C ATOM 515 C VAL A 36 46.276 12.319 -31.373 1.00 0.00 C ATOM 516 O VAL A 36 47.081 12.414 -30.446 1.00 0.00 O ATOM 517 CB VAL A 36 46.271 9.842 -31.887 1.00 0.00 C ATOM 518 CG1 VAL A 36 45.401 9.851 -30.635 1.00 0.00 C ATOM 519 CG2 VAL A 36 45.675 8.919 -32.935 1.00 0.00 C ATOM 0 H VAL A 36 48.554 11.404 -32.447 1.00 0.00 H new ATOM 0 HA VAL A 36 45.704 11.428 -33.237 1.00 0.00 H new ATOM 0 HB VAL A 36 47.255 9.471 -31.601 1.00 0.00 H new ATOM 0 HG11 VAL A 36 45.293 8.833 -30.260 1.00 0.00 H new ATOM 0 HG12 VAL A 36 45.869 10.472 -29.871 1.00 0.00 H new ATOM 0 HG13 VAL A 36 44.418 10.254 -30.878 1.00 0.00 H new ATOM 0 HG21 VAL A 36 45.547 7.923 -32.512 1.00 0.00 H new ATOM 0 HG22 VAL A 36 44.706 9.306 -33.252 1.00 0.00 H new ATOM 0 HG23 VAL A 36 46.343 8.865 -33.795 1.00 0.00 H new ATOM 529 N SER A 37 45.207 13.100 -31.488 1.00 0.00 N ATOM 530 CA SER A 37 44.907 14.139 -30.509 1.00 0.00 C ATOM 531 C SER A 37 43.645 13.791 -29.730 1.00 0.00 C ATOM 532 O SER A 37 42.646 13.360 -30.308 1.00 0.00 O ATOM 533 CB SER A 37 44.736 15.491 -31.205 1.00 0.00 C ATOM 534 OG SER A 37 45.155 16.553 -30.365 1.00 0.00 O ATOM 0 H SER A 37 44.533 13.033 -32.251 1.00 0.00 H new ATOM 0 HA SER A 37 45.741 14.204 -29.811 1.00 0.00 H new ATOM 0 HB2 SER A 37 45.314 15.504 -32.129 1.00 0.00 H new ATOM 0 HB3 SER A 37 43.691 15.632 -31.481 1.00 0.00 H new ATOM 0 HG SER A 37 45.038 17.406 -30.833 1.00 0.00 H new ATOM 540 N CYS A 38 43.692 13.972 -28.415 1.00 0.00 N ATOM 541 CA CYS A 38 42.548 13.667 -27.565 1.00 0.00 C ATOM 542 C CYS A 38 42.269 14.801 -26.583 1.00 0.00 C ATOM 543 O CYS A 38 43.163 15.573 -26.238 1.00 0.00 O ATOM 544 CB CYS A 38 42.792 12.367 -26.800 1.00 0.00 C ATOM 545 SG CYS A 38 43.748 11.125 -27.730 1.00 0.00 S ATOM 0 H CYS A 38 44.507 14.327 -27.916 1.00 0.00 H new ATOM 0 HA CYS A 38 41.675 13.551 -28.208 1.00 0.00 H new ATOM 0 HB2 CYS A 38 43.319 12.596 -25.874 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.830 11.936 -26.521 1.00 0.00 H new ATOM 550 N GLN A 39 41.020 14.888 -26.136 1.00 0.00 N ATOM 551 CA GLN A 39 40.613 15.922 -25.191 1.00 0.00 C ATOM 552 C GLN A 39 40.193 15.301 -23.861 1.00 0.00 C ATOM 553 O GLN A 39 39.100 14.747 -23.743 1.00 0.00 O ATOM 554 CB GLN A 39 39.461 16.746 -25.768 1.00 0.00 C ATOM 555 CG GLN A 39 39.832 17.513 -27.027 1.00 0.00 C ATOM 556 CD GLN A 39 38.725 18.440 -27.491 1.00 0.00 C ATOM 557 OE1 GLN A 39 37.481 18.058 -27.225 1.00 0.00 O flip ATOM 558 NE2 GLN A 39 38.986 19.489 -28.082 1.00 0.00 N flip ATOM 0 H GLN A 39 40.271 14.254 -26.414 1.00 0.00 H new ATOM 0 HA GLN A 39 41.466 16.578 -25.016 1.00 0.00 H new ATOM 0 HB2 GLN A 39 38.626 16.082 -25.990 1.00 0.00 H new ATOM 0 HB3 GLN A 39 39.115 17.451 -25.012 1.00 0.00 H new ATOM 0 HG2 GLN A 39 40.735 18.095 -26.841 1.00 0.00 H new ATOM 0 HG3 GLN A 39 40.067 16.806 -27.823 1.00 0.00 H new ATOM 0 HE21 GLN A 39 39.957 19.743 -28.265 1.00 0.00 H new ATOM 0 HE22 GLN A 39 38.231 20.103 -28.388 1.00 0.00 H new ATOM 636 N GLN A 45 30.759 21.079 -17.579 1.00 0.00 N ATOM 637 CA GLN A 45 29.731 21.523 -16.645 1.00 0.00 C ATOM 638 C GLN A 45 28.433 21.841 -17.377 1.00 0.00 C ATOM 639 O GLN A 45 28.447 22.259 -18.535 1.00 0.00 O ATOM 640 CB GLN A 45 30.206 22.756 -15.873 1.00 0.00 C ATOM 641 CG GLN A 45 31.599 22.607 -15.282 1.00 0.00 C ATOM 642 CD GLN A 45 31.912 23.675 -14.251 1.00 0.00 C ATOM 643 OE1 GLN A 45 31.613 24.853 -14.450 1.00 0.00 O ATOM 644 NE2 GLN A 45 32.516 23.267 -13.141 1.00 0.00 N ATOM 0 HA GLN A 45 29.544 20.712 -15.941 1.00 0.00 H new ATOM 0 HB2 GLN A 45 30.194 23.618 -16.540 1.00 0.00 H new ATOM 0 HB3 GLN A 45 29.500 22.965 -15.069 1.00 0.00 H new ATOM 0 HG2 GLN A 45 31.691 21.624 -14.821 1.00 0.00 H new ATOM 0 HG3 GLN A 45 32.337 22.653 -16.083 1.00 0.00 H new ATOM 0 HE21 GLN A 45 32.745 22.281 -13.018 1.00 0.00 H new ATOM 0 HE22 GLN A 45 32.751 23.940 -12.411 1.00 0.00 H new ATOM 653 N THR A 46 27.312 21.645 -16.692 1.00 0.00 N ATOM 654 CA THR A 46 26.004 21.914 -17.273 1.00 0.00 C ATOM 655 C THR A 46 25.232 22.923 -16.432 1.00 0.00 C ATOM 656 O THR A 46 25.216 22.838 -15.204 1.00 0.00 O ATOM 657 CB THR A 46 25.169 20.627 -17.406 1.00 0.00 C ATOM 658 OG1 THR A 46 25.366 19.795 -16.256 1.00 0.00 O ATOM 659 CG2 THR A 46 25.549 19.861 -18.664 1.00 0.00 C ATOM 0 H THR A 46 27.284 21.300 -15.732 1.00 0.00 H new ATOM 0 HA THR A 46 26.177 22.326 -18.267 1.00 0.00 H new ATOM 0 HB THR A 46 24.118 20.908 -17.476 1.00 0.00 H new ATOM 0 HG1 THR A 46 24.760 19.026 -16.301 1.00 0.00 H new ATOM 0 HG21 THR A 46 24.945 18.956 -18.735 1.00 0.00 H new ATOM 0 HG22 THR A 46 25.370 20.486 -19.539 1.00 0.00 H new ATOM 0 HG23 THR A 46 26.604 19.591 -18.621 1.00 0.00 H new ATOM 667 N TYR A 47 24.595 23.880 -17.098 1.00 0.00 N ATOM 668 CA TYR A 47 23.823 24.907 -16.409 1.00 0.00 C ATOM 669 C TYR A 47 22.637 25.360 -17.254 1.00 0.00 C ATOM 670 O TYR A 47 22.640 25.213 -18.476 1.00 0.00 O ATOM 671 CB TYR A 47 24.713 26.106 -16.077 1.00 0.00 C ATOM 672 CG TYR A 47 25.404 26.696 -17.285 1.00 0.00 C ATOM 673 CD1 TYR A 47 24.694 27.440 -18.219 1.00 0.00 C ATOM 674 CD2 TYR A 47 26.764 26.505 -17.495 1.00 0.00 C ATOM 675 CE1 TYR A 47 25.320 27.978 -19.327 1.00 0.00 C ATOM 676 CE2 TYR A 47 27.396 27.040 -18.601 1.00 0.00 C ATOM 677 CZ TYR A 47 26.670 27.776 -19.513 1.00 0.00 C ATOM 678 OH TYR A 47 27.297 28.309 -20.616 1.00 0.00 O ATOM 0 H TYR A 47 24.598 23.966 -18.114 1.00 0.00 H new ATOM 0 HA TYR A 47 23.441 24.477 -15.483 1.00 0.00 H new ATOM 0 HB2 TYR A 47 24.107 26.878 -15.602 1.00 0.00 H new ATOM 0 HB3 TYR A 47 25.466 25.800 -15.351 1.00 0.00 H new ATOM 0 HD1 TYR A 47 23.636 27.600 -18.077 1.00 0.00 H new ATOM 0 HD2 TYR A 47 27.336 25.929 -16.783 1.00 0.00 H new ATOM 0 HE1 TYR A 47 24.754 28.554 -20.044 1.00 0.00 H new ATOM 0 HE2 TYR A 47 28.454 26.882 -18.750 1.00 0.00 H new ATOM 0 HH TYR A 47 28.232 28.507 -20.397 1.00 0.00 H new ATOM 688 N GLY A 48 21.626 25.913 -16.592 1.00 0.00 N ATOM 689 CA GLY A 48 20.447 26.384 -17.292 1.00 0.00 C ATOM 690 C GLY A 48 20.007 25.440 -18.394 1.00 0.00 C ATOM 691 O GLY A 48 19.944 24.227 -18.192 1.00 0.00 O ATOM 0 H GLY A 48 21.603 26.043 -15.581 1.00 0.00 H new ATOM 0 HA2 GLY A 48 19.632 26.510 -16.579 1.00 0.00 H new ATOM 0 HA3 GLY A 48 20.651 27.366 -17.720 1.00 0.00 H new ATOM 695 N GLY A 49 19.701 25.998 -19.560 1.00 0.00 N ATOM 696 CA GLY A 49 19.268 25.186 -20.680 1.00 0.00 C ATOM 697 C GLY A 49 17.831 24.727 -20.538 1.00 0.00 C ATOM 698 O GLY A 49 16.917 25.546 -20.439 1.00 0.00 O ATOM 0 H GLY A 49 19.745 26.999 -19.749 1.00 0.00 H new ATOM 0 HA2 GLY A 49 19.375 25.757 -21.602 1.00 0.00 H new ATOM 0 HA3 GLY A 49 19.918 24.315 -20.767 1.00 0.00 H new ATOM 702 N ASN A 50 17.629 23.413 -20.527 1.00 0.00 N ATOM 703 CA ASN A 50 16.291 22.849 -20.396 1.00 0.00 C ATOM 704 C ASN A 50 16.188 21.968 -19.154 1.00 0.00 C ATOM 705 O ASN A 50 15.100 21.765 -18.615 1.00 0.00 O ATOM 706 CB ASN A 50 15.933 22.036 -21.641 1.00 0.00 C ATOM 707 CG ASN A 50 14.618 22.472 -22.258 1.00 0.00 C ATOM 708 OD1 ASN A 50 13.797 21.644 -22.649 1.00 0.00 O ATOM 709 ND2 ASN A 50 14.413 23.782 -22.346 1.00 0.00 N ATOM 0 H ASN A 50 18.374 22.720 -20.607 1.00 0.00 H new ATOM 0 HA ASN A 50 15.587 23.674 -20.293 1.00 0.00 H new ATOM 0 HB2 ASN A 50 16.729 22.137 -22.379 1.00 0.00 H new ATOM 0 HB3 ASN A 50 15.875 20.980 -21.378 1.00 0.00 H new ATOM 0 HD21 ASN A 50 13.547 24.137 -22.751 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.122 24.433 -22.009 1.00 0.00 H new ATOM 716 N SER A 51 17.326 21.449 -18.704 1.00 0.00 N ATOM 717 CA SER A 51 17.360 20.592 -17.524 1.00 0.00 C ATOM 718 C SER A 51 17.996 21.313 -16.339 1.00 0.00 C ATOM 719 O SER A 51 18.197 20.723 -15.278 1.00 0.00 O ATOM 720 CB SER A 51 18.131 19.305 -17.826 1.00 0.00 C ATOM 721 OG SER A 51 17.249 18.244 -18.145 1.00 0.00 O ATOM 0 H SER A 51 18.236 21.607 -19.138 1.00 0.00 H new ATOM 0 HA SER A 51 16.332 20.341 -17.261 1.00 0.00 H new ATOM 0 HB2 SER A 51 18.816 19.474 -18.657 1.00 0.00 H new ATOM 0 HB3 SER A 51 18.738 19.030 -16.963 1.00 0.00 H new ATOM 0 HG SER A 51 17.256 17.584 -17.421 1.00 0.00 H new ATOM 727 N ASN A 52 18.310 22.592 -16.526 1.00 0.00 N ATOM 728 CA ASN A 52 18.923 23.389 -15.469 1.00 0.00 C ATOM 729 C ASN A 52 20.247 22.776 -15.025 1.00 0.00 C ATOM 730 O ASN A 52 20.739 23.062 -13.934 1.00 0.00 O ATOM 731 CB ASN A 52 17.973 23.507 -14.276 1.00 0.00 C ATOM 732 CG ASN A 52 18.603 24.236 -13.105 1.00 0.00 C ATOM 733 OD1 ASN A 52 19.398 25.256 -13.402 1.00 0.00 O flip ATOM 734 ND2 ASN A 52 18.378 23.884 -11.947 1.00 0.00 N flip ATOM 0 H ASN A 52 18.150 23.097 -17.398 1.00 0.00 H new ATOM 0 HA ASN A 52 19.121 24.385 -15.865 1.00 0.00 H new ATOM 0 HB2 ASN A 52 17.070 24.034 -14.585 1.00 0.00 H new ATOM 0 HB3 ASN A 52 17.668 22.510 -13.958 1.00 0.00 H new ATOM 0 HD21 ASN A 52 17.760 23.093 -11.765 1.00 0.00 H new ATOM 0 HD22 ASN A 52 18.810 24.383 -11.169 1.00 0.00 H new ATOM 741 N GLY A 53 20.817 21.932 -15.879 1.00 0.00 N ATOM 742 CA GLY A 53 22.079 21.292 -15.557 1.00 0.00 C ATOM 743 C GLY A 53 22.041 19.791 -15.769 1.00 0.00 C ATOM 744 O GLY A 53 22.049 19.318 -16.906 1.00 0.00 O ATOM 0 H GLY A 53 20.428 21.680 -16.788 1.00 0.00 H new ATOM 0 HA2 GLY A 53 22.868 21.723 -16.173 1.00 0.00 H new ATOM 0 HA3 GLY A 53 22.335 21.502 -14.518 1.00 0.00 H new ATOM 748 N GLU A 54 22.001 19.042 -14.673 1.00 0.00 N ATOM 749 CA GLU A 54 21.963 17.586 -14.741 1.00 0.00 C ATOM 750 C GLU A 54 23.137 17.048 -15.550 1.00 0.00 C ATOM 751 O GLU A 54 23.768 17.780 -16.313 1.00 0.00 O ATOM 752 CB GLU A 54 20.644 17.116 -15.357 1.00 0.00 C ATOM 753 CG GLU A 54 19.449 17.284 -14.433 1.00 0.00 C ATOM 754 CD GLU A 54 18.343 16.290 -14.725 1.00 0.00 C ATOM 755 OE1 GLU A 54 17.589 16.507 -15.699 1.00 0.00 O ATOM 756 OE2 GLU A 54 18.229 15.292 -13.983 1.00 0.00 O ATOM 0 H GLU A 54 21.994 19.420 -13.725 1.00 0.00 H new ATOM 0 HA GLU A 54 22.038 17.198 -13.725 1.00 0.00 H new ATOM 0 HB2 GLU A 54 20.463 17.672 -16.277 1.00 0.00 H new ATOM 0 HB3 GLU A 54 20.735 16.065 -15.633 1.00 0.00 H new ATOM 0 HG2 GLU A 54 19.774 17.167 -13.399 1.00 0.00 H new ATOM 0 HG3 GLU A 54 19.058 18.297 -14.531 1.00 0.00 H new ATOM 763 N PRO A 55 23.444 15.754 -15.389 1.00 0.00 N ATOM 764 CA PRO A 55 24.544 15.104 -16.100 1.00 0.00 C ATOM 765 C PRO A 55 24.170 14.724 -17.528 1.00 0.00 C ATOM 766 O PRO A 55 23.056 14.270 -17.788 1.00 0.00 O ATOM 767 CB PRO A 55 24.797 13.853 -15.262 1.00 0.00 C ATOM 768 CG PRO A 55 23.464 13.514 -14.685 1.00 0.00 C ATOM 769 CD PRO A 55 22.735 14.821 -14.495 1.00 0.00 C ATOM 0 HA PRO A 55 25.412 15.755 -16.203 1.00 0.00 H new ATOM 0 HB2 PRO A 55 25.184 13.038 -15.873 1.00 0.00 H new ATOM 0 HB3 PRO A 55 25.532 14.041 -14.479 1.00 0.00 H new ATOM 0 HG2 PRO A 55 22.909 12.854 -15.352 1.00 0.00 H new ATOM 0 HG3 PRO A 55 23.574 12.990 -13.736 1.00 0.00 H new ATOM 0 HD2 PRO A 55 21.682 14.734 -14.762 1.00 0.00 H new ATOM 0 HD3 PRO A 55 22.774 15.154 -13.458 1.00 0.00 H new ATOM 777 N CYS A 56 25.107 14.909 -18.450 1.00 0.00 N ATOM 778 CA CYS A 56 24.874 14.583 -19.851 1.00 0.00 C ATOM 779 C CYS A 56 24.717 13.078 -20.039 1.00 0.00 C ATOM 780 O CYS A 56 24.844 12.307 -19.089 1.00 0.00 O ATOM 781 CB CYS A 56 26.023 15.103 -20.717 1.00 0.00 C ATOM 782 SG CYS A 56 26.453 16.847 -20.411 1.00 0.00 S ATOM 0 H CYS A 56 26.035 15.283 -18.252 1.00 0.00 H new ATOM 0 HA CYS A 56 23.949 15.068 -20.163 1.00 0.00 H new ATOM 0 HB2 CYS A 56 26.904 14.486 -20.541 1.00 0.00 H new ATOM 0 HB3 CYS A 56 25.755 14.985 -21.767 1.00 0.00 H new ATOM 787 N VAL A 57 24.435 12.669 -21.271 1.00 0.00 N ATOM 788 CA VAL A 57 24.254 11.256 -21.583 1.00 0.00 C ATOM 789 C VAL A 57 24.810 10.925 -22.962 1.00 0.00 C ATOM 790 O VAL A 57 24.077 10.489 -23.849 1.00 0.00 O ATOM 791 CB VAL A 57 22.768 10.859 -21.534 1.00 0.00 C ATOM 792 CG1 VAL A 57 22.012 11.485 -22.693 1.00 0.00 C ATOM 793 CG2 VAL A 57 22.618 9.346 -21.542 1.00 0.00 C ATOM 0 H VAL A 57 24.327 13.295 -22.069 1.00 0.00 H new ATOM 0 HA VAL A 57 24.800 10.691 -20.828 1.00 0.00 H new ATOM 0 HB VAL A 57 22.340 11.236 -20.605 1.00 0.00 H new ATOM 0 HG11 VAL A 57 20.963 11.194 -22.643 1.00 0.00 H new ATOM 0 HG12 VAL A 57 22.090 12.571 -22.635 1.00 0.00 H new ATOM 0 HG13 VAL A 57 22.439 11.141 -23.635 1.00 0.00 H new ATOM 0 HG21 VAL A 57 21.560 9.085 -21.507 1.00 0.00 H new ATOM 0 HG22 VAL A 57 23.062 8.941 -22.452 1.00 0.00 H new ATOM 0 HG23 VAL A 57 23.124 8.926 -20.673 1.00 0.00 H new ATOM 803 N LEU A 58 26.110 11.131 -23.137 1.00 0.00 N ATOM 804 CA LEU A 58 26.755 10.850 -24.413 1.00 0.00 C ATOM 805 C LEU A 58 27.683 9.641 -24.302 1.00 0.00 C ATOM 806 O LEU A 58 28.073 9.247 -23.204 1.00 0.00 O ATOM 807 CB LEU A 58 27.538 12.071 -24.907 1.00 0.00 C ATOM 808 CG LEU A 58 28.242 12.888 -23.820 1.00 0.00 C ATOM 809 CD1 LEU A 58 27.230 13.643 -22.974 1.00 0.00 C ATOM 810 CD2 LEU A 58 29.110 11.988 -22.951 1.00 0.00 C ATOM 0 H LEU A 58 26.735 11.490 -22.415 1.00 0.00 H new ATOM 0 HA LEU A 58 25.973 10.620 -25.137 1.00 0.00 H new ATOM 0 HB2 LEU A 58 28.286 11.735 -25.625 1.00 0.00 H new ATOM 0 HB3 LEU A 58 26.853 12.727 -25.444 1.00 0.00 H new ATOM 0 HG LEU A 58 28.889 13.619 -24.306 1.00 0.00 H new ATOM 0 HD11 LEU A 58 27.752 14.217 -22.208 1.00 0.00 H new ATOM 0 HD12 LEU A 58 26.659 14.320 -23.609 1.00 0.00 H new ATOM 0 HD13 LEU A 58 26.553 12.934 -22.498 1.00 0.00 H new ATOM 0 HD21 LEU A 58 29.602 12.587 -22.185 1.00 0.00 H new ATOM 0 HD22 LEU A 58 28.487 11.231 -22.475 1.00 0.00 H new ATOM 0 HD23 LEU A 58 29.863 11.501 -23.570 1.00 0.00 H new ATOM 822 N PRO A 59 28.047 9.031 -25.446 1.00 0.00 N ATOM 823 CA PRO A 59 27.601 9.475 -26.772 1.00 0.00 C ATOM 824 C PRO A 59 26.102 9.299 -26.978 1.00 0.00 C ATOM 825 O PRO A 59 25.515 8.304 -26.555 1.00 0.00 O ATOM 826 CB PRO A 59 28.363 8.567 -27.743 1.00 0.00 C ATOM 827 CG PRO A 59 29.456 7.952 -26.935 1.00 0.00 C ATOM 828 CD PRO A 59 28.930 7.862 -25.534 1.00 0.00 C ATOM 0 HA PRO A 59 27.793 10.538 -26.914 1.00 0.00 H new ATOM 0 HB2 PRO A 59 27.708 7.804 -28.163 1.00 0.00 H new ATOM 0 HB3 PRO A 59 28.766 9.137 -28.580 1.00 0.00 H new ATOM 0 HG2 PRO A 59 29.718 6.966 -27.318 1.00 0.00 H new ATOM 0 HG3 PRO A 59 30.360 8.559 -26.975 1.00 0.00 H new ATOM 0 HD2 PRO A 59 28.388 6.932 -25.364 1.00 0.00 H new ATOM 0 HD3 PRO A 59 29.732 7.904 -24.797 1.00 0.00 H new ATOM 836 N PHE A 60 25.493 10.275 -27.638 1.00 0.00 N ATOM 837 CA PHE A 60 24.063 10.239 -27.916 1.00 0.00 C ATOM 838 C PHE A 60 23.810 10.425 -29.406 1.00 0.00 C ATOM 839 O PHE A 60 24.747 10.572 -30.190 1.00 0.00 O ATOM 840 CB PHE A 60 23.342 11.329 -27.122 1.00 0.00 C ATOM 841 CG PHE A 60 24.047 12.653 -27.159 1.00 0.00 C ATOM 842 CD1 PHE A 60 24.152 13.360 -28.345 1.00 0.00 C ATOM 843 CD2 PHE A 60 24.608 13.189 -26.011 1.00 0.00 C ATOM 844 CE1 PHE A 60 24.803 14.578 -28.386 1.00 0.00 C ATOM 845 CE2 PHE A 60 25.262 14.405 -26.046 1.00 0.00 C ATOM 846 CZ PHE A 60 25.359 15.100 -27.236 1.00 0.00 C ATOM 0 H PHE A 60 25.969 11.105 -27.992 1.00 0.00 H new ATOM 0 HA PHE A 60 23.674 9.267 -27.612 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.334 11.451 -27.518 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.241 11.008 -26.085 1.00 0.00 H new ATOM 0 HD1 PHE A 60 23.720 12.955 -29.248 1.00 0.00 H new ATOM 0 HD2 PHE A 60 24.533 12.650 -25.078 1.00 0.00 H new ATOM 0 HE1 PHE A 60 24.877 15.121 -29.317 1.00 0.00 H new ATOM 0 HE2 PHE A 60 25.697 14.812 -25.145 1.00 0.00 H new ATOM 0 HZ PHE A 60 25.870 16.051 -27.266 1.00 0.00 H new ATOM 856 N THR A 61 22.541 10.417 -29.795 1.00 0.00 N ATOM 857 CA THR A 61 22.178 10.585 -31.194 1.00 0.00 C ATOM 858 C THR A 61 21.189 11.730 -31.374 1.00 0.00 C ATOM 859 O THR A 61 20.147 11.774 -30.721 1.00 0.00 O ATOM 860 CB THR A 61 21.566 9.296 -31.774 1.00 0.00 C ATOM 861 OG1 THR A 61 21.831 8.192 -30.901 1.00 0.00 O ATOM 862 CG2 THR A 61 22.131 9.000 -33.155 1.00 0.00 C ATOM 0 H THR A 61 21.750 10.296 -29.163 1.00 0.00 H new ATOM 0 HA THR A 61 23.097 10.817 -31.732 1.00 0.00 H new ATOM 0 HB THR A 61 20.489 9.441 -31.862 1.00 0.00 H new ATOM 0 HG1 THR A 61 21.437 7.377 -31.276 1.00 0.00 H new ATOM 0 HG21 THR A 61 21.683 8.085 -33.543 1.00 0.00 H new ATOM 0 HG22 THR A 61 21.904 9.828 -33.826 1.00 0.00 H new ATOM 0 HG23 THR A 61 23.212 8.874 -33.087 1.00 0.00 H new ATOM 870 N TYR A 62 21.523 12.657 -32.266 1.00 0.00 N ATOM 871 CA TYR A 62 20.665 13.803 -32.535 1.00 0.00 C ATOM 872 C TYR A 62 20.592 14.090 -34.032 1.00 0.00 C ATOM 873 O TYR A 62 21.617 14.270 -34.689 1.00 0.00 O ATOM 874 CB TYR A 62 21.175 15.042 -31.798 1.00 0.00 C ATOM 875 CG TYR A 62 20.510 16.323 -32.250 1.00 0.00 C ATOM 876 CD1 TYR A 62 19.131 16.394 -32.397 1.00 0.00 C ATOM 877 CD2 TYR A 62 21.260 17.457 -32.536 1.00 0.00 C ATOM 878 CE1 TYR A 62 18.516 17.559 -32.813 1.00 0.00 C ATOM 879 CE2 TYR A 62 20.652 18.627 -32.953 1.00 0.00 C ATOM 880 CZ TYR A 62 19.280 18.672 -33.090 1.00 0.00 C ATOM 881 OH TYR A 62 18.671 19.834 -33.505 1.00 0.00 O ATOM 0 H TYR A 62 22.383 12.636 -32.815 1.00 0.00 H new ATOM 0 HA TYR A 62 19.665 13.561 -32.176 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.010 14.913 -30.728 1.00 0.00 H new ATOM 0 HB3 TYR A 62 22.251 15.127 -31.947 1.00 0.00 H new ATOM 0 HD1 TYR A 62 18.529 15.523 -32.182 1.00 0.00 H new ATOM 0 HD2 TYR A 62 22.334 17.424 -32.431 1.00 0.00 H new ATOM 0 HE1 TYR A 62 17.442 17.597 -32.921 1.00 0.00 H new ATOM 0 HE2 TYR A 62 21.248 19.501 -33.170 1.00 0.00 H new ATOM 0 HH TYR A 62 18.734 20.507 -32.796 1.00 0.00 H new ATOM 891 N ASN A 63 19.374 14.133 -34.560 1.00 0.00 N ATOM 892 CA ASN A 63 19.162 14.401 -35.977 1.00 0.00 C ATOM 893 C ASN A 63 19.687 13.257 -36.840 1.00 0.00 C ATOM 894 O ASN A 63 19.709 13.355 -38.068 1.00 0.00 O ATOM 895 CB ASN A 63 19.841 15.712 -36.375 1.00 0.00 C ATOM 896 CG ASN A 63 19.068 16.928 -35.911 1.00 0.00 C ATOM 897 OD1 ASN A 63 17.910 16.824 -35.505 1.00 0.00 O ATOM 898 ND2 ASN A 63 19.707 18.089 -35.966 1.00 0.00 N ATOM 0 H ASN A 63 18.517 13.985 -34.027 1.00 0.00 H new ATOM 0 HA ASN A 63 18.089 14.488 -36.145 1.00 0.00 H new ATOM 0 HB2 ASN A 63 20.845 15.741 -35.952 1.00 0.00 H new ATOM 0 HB3 ASN A 63 19.950 15.747 -37.459 1.00 0.00 H new ATOM 0 HD21 ASN A 63 19.239 18.944 -35.665 1.00 0.00 H new ATOM 0 HD22 ASN A 63 20.667 18.127 -36.310 1.00 0.00 H new ATOM 905 N GLY A 64 20.103 12.173 -36.194 1.00 0.00 N ATOM 906 CA GLY A 64 20.616 11.028 -36.924 1.00 0.00 C ATOM 907 C GLY A 64 22.106 10.826 -36.731 1.00 0.00 C ATOM 908 O GLY A 64 22.641 9.771 -37.068 1.00 0.00 O ATOM 0 H GLY A 64 20.094 12.067 -35.180 1.00 0.00 H new ATOM 0 HA2 GLY A 64 20.088 10.131 -36.601 1.00 0.00 H new ATOM 0 HA3 GLY A 64 20.406 11.156 -37.986 1.00 0.00 H new ATOM 912 N ARG A 65 22.781 11.836 -36.189 1.00 0.00 N ATOM 913 CA ARG A 65 24.219 11.751 -35.960 1.00 0.00 C ATOM 914 C ARG A 65 24.522 11.388 -34.509 1.00 0.00 C ATOM 915 O ARG A 65 23.627 10.999 -33.760 1.00 0.00 O ATOM 916 CB ARG A 65 24.902 13.069 -36.329 1.00 0.00 C ATOM 917 CG ARG A 65 24.549 14.223 -35.406 1.00 0.00 C ATOM 918 CD ARG A 65 23.769 15.302 -36.139 1.00 0.00 C ATOM 919 NE ARG A 65 24.651 16.218 -36.855 1.00 0.00 N ATOM 920 CZ ARG A 65 24.218 17.175 -37.667 1.00 0.00 C ATOM 921 NH1 ARG A 65 22.916 17.341 -37.863 1.00 0.00 N ATOM 922 NH2 ARG A 65 25.082 17.968 -38.285 1.00 0.00 N ATOM 0 H ARG A 65 22.357 12.718 -35.902 1.00 0.00 H new ATOM 0 HA ARG A 65 24.614 10.961 -36.600 1.00 0.00 H new ATOM 0 HB2 ARG A 65 25.982 12.923 -36.316 1.00 0.00 H new ATOM 0 HB3 ARG A 65 24.628 13.336 -37.350 1.00 0.00 H new ATOM 0 HG2 ARG A 65 23.960 13.853 -34.567 1.00 0.00 H new ATOM 0 HG3 ARG A 65 25.461 14.651 -34.990 1.00 0.00 H new ATOM 0 HD2 ARG A 65 23.079 14.837 -36.843 1.00 0.00 H new ATOM 0 HD3 ARG A 65 23.165 15.862 -35.425 1.00 0.00 H new ATOM 0 HE ARG A 65 25.658 16.117 -36.724 1.00 0.00 H new ATOM 0 HH11 ARG A 65 22.247 16.733 -37.390 1.00 0.00 H new ATOM 0 HH12 ARG A 65 22.584 18.076 -38.487 1.00 0.00 H new ATOM 0 HH21 ARG A 65 26.084 17.844 -38.138 1.00 0.00 H new ATOM 0 HH22 ARG A 65 24.745 18.702 -38.908 1.00 0.00 H new ATOM 936 N THR A 66 25.789 11.511 -34.121 1.00 0.00 N ATOM 937 CA THR A 66 26.204 11.185 -32.760 1.00 0.00 C ATOM 938 C THR A 66 27.260 12.161 -32.249 1.00 0.00 C ATOM 939 O THR A 66 28.047 12.703 -33.024 1.00 0.00 O ATOM 940 CB THR A 66 26.766 9.752 -32.679 1.00 0.00 C ATOM 941 OG1 THR A 66 25.929 8.853 -33.418 1.00 0.00 O ATOM 942 CG2 THR A 66 26.862 9.288 -31.233 1.00 0.00 C ATOM 0 H THR A 66 26.543 11.833 -34.728 1.00 0.00 H new ATOM 0 HA THR A 66 25.316 11.262 -32.133 1.00 0.00 H new ATOM 0 HB THR A 66 27.767 9.755 -33.111 1.00 0.00 H new ATOM 0 HG1 THR A 66 26.294 7.945 -33.362 1.00 0.00 H new ATOM 0 HG21 THR A 66 27.261 8.274 -31.202 1.00 0.00 H new ATOM 0 HG22 THR A 66 27.523 9.955 -30.680 1.00 0.00 H new ATOM 0 HG23 THR A 66 25.871 9.302 -30.780 1.00 0.00 H new ATOM 950 N PHE A 67 27.270 12.381 -30.935 1.00 0.00 N ATOM 951 CA PHE A 67 28.228 13.291 -30.316 1.00 0.00 C ATOM 952 C PHE A 67 28.757 12.718 -29.004 1.00 0.00 C ATOM 953 O PHE A 67 27.996 12.188 -28.197 1.00 0.00 O ATOM 954 CB PHE A 67 27.577 14.651 -30.057 1.00 0.00 C ATOM 955 CG PHE A 67 26.633 15.090 -31.141 1.00 0.00 C ATOM 956 CD1 PHE A 67 25.521 14.329 -31.467 1.00 0.00 C ATOM 957 CD2 PHE A 67 26.859 16.269 -31.832 1.00 0.00 C ATOM 958 CE1 PHE A 67 24.653 14.738 -32.461 1.00 0.00 C ATOM 959 CE2 PHE A 67 25.995 16.682 -32.827 1.00 0.00 C ATOM 960 CZ PHE A 67 24.892 15.915 -33.142 1.00 0.00 C ATOM 0 H PHE A 67 26.624 11.940 -30.280 1.00 0.00 H new ATOM 0 HA PHE A 67 29.064 13.416 -31.004 1.00 0.00 H new ATOM 0 HB2 PHE A 67 27.036 14.610 -29.112 1.00 0.00 H new ATOM 0 HB3 PHE A 67 28.359 15.402 -29.944 1.00 0.00 H new ATOM 0 HD1 PHE A 67 25.331 13.407 -30.938 1.00 0.00 H new ATOM 0 HD2 PHE A 67 27.721 16.873 -31.590 1.00 0.00 H new ATOM 0 HE1 PHE A 67 23.789 14.138 -32.705 1.00 0.00 H new ATOM 0 HE2 PHE A 67 26.182 17.604 -33.358 1.00 0.00 H new ATOM 0 HZ PHE A 67 24.216 16.235 -33.921 1.00 0.00 H new ATOM 970 N TYR A 68 30.067 12.832 -28.794 1.00 0.00 N ATOM 971 CA TYR A 68 30.695 12.326 -27.577 1.00 0.00 C ATOM 972 C TYR A 68 30.665 13.374 -26.468 1.00 0.00 C ATOM 973 O TYR A 68 31.125 13.123 -25.354 1.00 0.00 O ATOM 974 CB TYR A 68 32.139 11.908 -27.860 1.00 0.00 C ATOM 975 CG TYR A 68 32.252 10.573 -28.560 1.00 0.00 C ATOM 976 CD1 TYR A 68 31.116 9.892 -28.973 1.00 0.00 C ATOM 977 CD2 TYR A 68 33.491 9.997 -28.809 1.00 0.00 C ATOM 978 CE1 TYR A 68 31.209 8.673 -29.615 1.00 0.00 C ATOM 979 CE2 TYR A 68 33.593 8.777 -29.449 1.00 0.00 C ATOM 980 CZ TYR A 68 32.450 8.118 -29.851 1.00 0.00 C ATOM 981 OH TYR A 68 32.546 6.905 -30.491 1.00 0.00 O ATOM 0 H TYR A 68 30.713 13.270 -29.451 1.00 0.00 H new ATOM 0 HA TYR A 68 30.129 11.456 -27.243 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.617 12.672 -28.472 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.688 11.864 -26.919 1.00 0.00 H new ATOM 0 HD1 TYR A 68 30.143 10.322 -28.789 1.00 0.00 H new ATOM 0 HD2 TYR A 68 34.388 10.511 -28.498 1.00 0.00 H new ATOM 0 HE1 TYR A 68 30.315 8.156 -29.931 1.00 0.00 H new ATOM 0 HE2 TYR A 68 34.564 8.341 -29.634 1.00 0.00 H new ATOM 0 HH TYR A 68 33.490 6.656 -30.580 1.00 0.00 H new ATOM 991 N SER A 69 30.122 14.547 -26.779 1.00 0.00 N ATOM 992 CA SER A 69 30.034 15.629 -25.806 1.00 0.00 C ATOM 993 C SER A 69 29.071 16.710 -26.286 1.00 0.00 C ATOM 994 O SER A 69 28.511 16.616 -27.378 1.00 0.00 O ATOM 995 CB SER A 69 31.416 16.235 -25.554 1.00 0.00 C ATOM 996 OG SER A 69 32.300 15.275 -25.004 1.00 0.00 O ATOM 0 H SER A 69 29.737 14.772 -27.696 1.00 0.00 H new ATOM 0 HA SER A 69 29.654 15.215 -24.872 1.00 0.00 H new ATOM 0 HB2 SER A 69 31.825 16.617 -26.489 1.00 0.00 H new ATOM 0 HB3 SER A 69 31.327 17.083 -24.875 1.00 0.00 H new ATOM 0 HG SER A 69 31.787 14.503 -24.686 1.00 0.00 H new ATOM 1002 N CYS A 70 28.886 17.736 -25.463 1.00 0.00 N ATOM 1003 CA CYS A 70 27.994 18.834 -25.804 1.00 0.00 C ATOM 1004 C CYS A 70 28.211 19.286 -27.244 1.00 0.00 C ATOM 1005 O CYS A 70 29.173 18.878 -27.894 1.00 0.00 O ATOM 1006 CB CYS A 70 28.214 20.003 -24.844 1.00 0.00 C ATOM 1007 SG CYS A 70 28.380 19.507 -23.097 1.00 0.00 S ATOM 0 H CYS A 70 29.342 17.829 -24.556 1.00 0.00 H new ATOM 0 HA CYS A 70 26.966 18.483 -25.710 1.00 0.00 H new ATOM 0 HB2 CYS A 70 29.112 20.543 -25.145 1.00 0.00 H new ATOM 0 HB3 CYS A 70 27.379 20.697 -24.936 1.00 0.00 H new ATOM 1012 N THR A 71 27.309 20.128 -27.736 1.00 0.00 N ATOM 1013 CA THR A 71 27.399 20.634 -29.101 1.00 0.00 C ATOM 1014 C THR A 71 26.389 21.750 -29.341 1.00 0.00 C ATOM 1015 O THR A 71 25.420 21.893 -28.596 1.00 0.00 O ATOM 1016 CB THR A 71 27.155 19.515 -30.131 1.00 0.00 C ATOM 1017 OG1 THR A 71 27.292 20.032 -31.461 1.00 0.00 O ATOM 1018 CG2 THR A 71 25.767 18.915 -29.957 1.00 0.00 C ATOM 0 H THR A 71 26.507 20.475 -27.210 1.00 0.00 H new ATOM 0 HA THR A 71 28.409 21.024 -29.227 1.00 0.00 H new ATOM 0 HB THR A 71 27.897 18.733 -29.968 1.00 0.00 H new ATOM 0 HG1 THR A 71 27.328 19.289 -32.099 1.00 0.00 H new ATOM 0 HG21 THR A 71 25.616 18.127 -30.695 1.00 0.00 H new ATOM 0 HG22 THR A 71 25.675 18.497 -28.955 1.00 0.00 H new ATOM 0 HG23 THR A 71 25.015 19.691 -30.097 1.00 0.00 H new ATOM 1026 N THR A 72 26.620 22.533 -30.387 1.00 0.00 N ATOM 1027 CA THR A 72 25.728 23.633 -30.727 1.00 0.00 C ATOM 1028 C THR A 72 25.067 23.402 -32.081 1.00 0.00 C ATOM 1029 O THR A 72 24.783 24.350 -32.815 1.00 0.00 O ATOM 1030 CB THR A 72 26.478 24.977 -30.751 1.00 0.00 C ATOM 1031 OG1 THR A 72 27.776 24.806 -31.333 1.00 0.00 O ATOM 1032 CG2 THR A 72 26.619 25.541 -29.346 1.00 0.00 C ATOM 0 H THR A 72 27.417 22.427 -31.014 1.00 0.00 H new ATOM 0 HA THR A 72 24.960 23.672 -29.954 1.00 0.00 H new ATOM 0 HB THR A 72 25.901 25.679 -31.353 1.00 0.00 H new ATOM 0 HG1 THR A 72 28.245 25.666 -31.346 1.00 0.00 H new ATOM 0 HG21 THR A 72 27.152 26.491 -29.387 1.00 0.00 H new ATOM 0 HG22 THR A 72 25.630 25.698 -28.916 1.00 0.00 H new ATOM 0 HG23 THR A 72 27.176 24.839 -28.726 1.00 0.00 H new ATOM 1040 N GLU A 73 24.821 22.136 -32.403 1.00 0.00 N ATOM 1041 CA GLU A 73 24.190 21.776 -33.668 1.00 0.00 C ATOM 1042 C GLU A 73 22.671 21.894 -33.573 1.00 0.00 C ATOM 1043 O GLU A 73 21.950 21.504 -34.491 1.00 0.00 O ATOM 1044 CB GLU A 73 24.577 20.350 -34.063 1.00 0.00 C ATOM 1045 CG GLU A 73 26.045 20.197 -34.424 1.00 0.00 C ATOM 1046 CD GLU A 73 26.422 20.980 -35.667 1.00 0.00 C ATOM 1047 OE1 GLU A 73 26.220 22.213 -35.675 1.00 0.00 O ATOM 1048 OE2 GLU A 73 26.919 20.362 -36.631 1.00 0.00 O ATOM 0 H GLU A 73 25.049 21.342 -31.805 1.00 0.00 H new ATOM 0 HA GLU A 73 24.542 22.469 -34.432 1.00 0.00 H new ATOM 0 HB2 GLU A 73 24.342 19.677 -33.239 1.00 0.00 H new ATOM 0 HB3 GLU A 73 23.968 20.039 -34.912 1.00 0.00 H new ATOM 0 HG2 GLU A 73 26.658 20.532 -33.588 1.00 0.00 H new ATOM 0 HG3 GLU A 73 26.269 19.142 -34.581 1.00 0.00 H new ATOM 1055 N GLY A 74 22.192 22.433 -32.456 1.00 0.00 N ATOM 1056 CA GLY A 74 20.762 22.592 -32.264 1.00 0.00 C ATOM 1057 C GLY A 74 20.353 24.046 -32.128 1.00 0.00 C ATOM 1058 O GLY A 74 19.165 24.365 -32.124 1.00 0.00 O ATOM 0 H GLY A 74 22.768 22.762 -31.681 1.00 0.00 H new ATOM 0 HA2 GLY A 74 20.234 22.147 -33.107 1.00 0.00 H new ATOM 0 HA3 GLY A 74 20.456 22.047 -31.371 1.00 0.00 H new ATOM 1122 N HIS A 79 25.880 28.220 -27.881 1.00 0.00 N ATOM 1123 CA HIS A 79 25.923 27.647 -26.541 1.00 0.00 C ATOM 1124 C HIS A 79 25.903 26.123 -26.601 1.00 0.00 C ATOM 1125 O HIS A 79 24.958 25.525 -27.114 1.00 0.00 O ATOM 1126 CB HIS A 79 24.742 28.151 -25.709 1.00 0.00 C ATOM 1127 CG HIS A 79 24.454 29.607 -25.901 1.00 0.00 C ATOM 1128 ND1 HIS A 79 25.408 30.517 -26.304 1.00 0.00 N ATOM 1129 CD2 HIS A 79 23.308 30.312 -25.745 1.00 0.00 C ATOM 1130 CE1 HIS A 79 24.863 31.718 -26.385 1.00 0.00 C ATOM 1131 NE2 HIS A 79 23.589 31.620 -26.052 1.00 0.00 N ATOM 0 HA HIS A 79 26.853 27.963 -26.068 1.00 0.00 H new ATOM 0 HB2 HIS A 79 23.853 27.576 -25.969 1.00 0.00 H new ATOM 0 HB3 HIS A 79 24.945 27.965 -24.654 1.00 0.00 H new ATOM 0 HD2 HIS A 79 22.351 29.918 -25.436 1.00 0.00 H new ATOM 0 HE1 HIS A 79 25.373 32.625 -26.674 1.00 0.00 H new ATOM 0 HE2 HIS A 79 22.922 32.391 -26.027 1.00 0.00 H new ATOM 1140 N LEU A 80 26.952 25.500 -26.072 1.00 0.00 N ATOM 1141 CA LEU A 80 27.052 24.046 -26.067 1.00 0.00 C ATOM 1142 C LEU A 80 25.934 23.429 -25.235 1.00 0.00 C ATOM 1143 O LEU A 80 25.578 23.944 -24.175 1.00 0.00 O ATOM 1144 CB LEU A 80 28.411 23.611 -25.518 1.00 0.00 C ATOM 1145 CG LEU A 80 29.560 23.648 -26.528 1.00 0.00 C ATOM 1146 CD1 LEU A 80 29.750 25.057 -27.069 1.00 0.00 C ATOM 1147 CD2 LEU A 80 30.844 23.141 -25.891 1.00 0.00 C ATOM 0 H LEU A 80 27.743 25.979 -25.642 1.00 0.00 H new ATOM 0 HA LEU A 80 26.953 23.695 -27.094 1.00 0.00 H new ATOM 0 HB2 LEU A 80 28.668 24.253 -24.675 1.00 0.00 H new ATOM 0 HB3 LEU A 80 28.321 22.596 -25.130 1.00 0.00 H new ATOM 0 HG LEU A 80 29.308 22.993 -27.362 1.00 0.00 H new ATOM 0 HD11 LEU A 80 30.571 25.064 -27.786 1.00 0.00 H new ATOM 0 HD12 LEU A 80 28.835 25.384 -27.563 1.00 0.00 H new ATOM 0 HD13 LEU A 80 29.980 25.734 -26.247 1.00 0.00 H new ATOM 0 HD21 LEU A 80 31.651 23.174 -26.623 1.00 0.00 H new ATOM 0 HD22 LEU A 80 31.101 23.771 -25.039 1.00 0.00 H new ATOM 0 HD23 LEU A 80 30.702 22.114 -25.554 1.00 0.00 H new ATOM 1159 N TRP A 81 25.383 22.322 -25.722 1.00 0.00 N ATOM 1160 CA TRP A 81 24.306 21.634 -25.021 1.00 0.00 C ATOM 1161 C TRP A 81 24.414 20.123 -25.201 1.00 0.00 C ATOM 1162 O TRP A 81 24.664 19.636 -26.304 1.00 0.00 O ATOM 1163 CB TRP A 81 22.949 22.119 -25.531 1.00 0.00 C ATOM 1164 CG TRP A 81 22.654 21.688 -26.935 1.00 0.00 C ATOM 1165 CD1 TRP A 81 22.645 22.477 -28.049 1.00 0.00 C ATOM 1166 CD2 TRP A 81 22.324 20.365 -27.377 1.00 0.00 C ATOM 1167 NE1 TRP A 81 22.328 21.727 -29.156 1.00 0.00 N ATOM 1168 CE2 TRP A 81 22.127 20.429 -28.770 1.00 0.00 C ATOM 1169 CE3 TRP A 81 22.176 19.133 -26.732 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 21.789 19.309 -29.526 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 21.841 18.023 -27.484 1.00 0.00 C ATOM 1172 CH2 TRP A 81 21.650 18.118 -28.868 1.00 0.00 C ATOM 0 H TRP A 81 25.664 21.883 -26.599 1.00 0.00 H new ATOM 0 HA TRP A 81 24.395 21.863 -23.959 1.00 0.00 H new ATOM 0 HB2 TRP A 81 22.166 21.745 -24.872 1.00 0.00 H new ATOM 0 HB3 TRP A 81 22.917 23.207 -25.478 1.00 0.00 H new ATOM 0 HD1 TRP A 81 22.856 23.536 -28.059 1.00 0.00 H new ATOM 0 HE1 TRP A 81 22.254 22.080 -30.110 1.00 0.00 H new ATOM 0 HE3 TRP A 81 22.321 19.050 -25.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 21.642 19.379 -30.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 21.725 17.066 -26.996 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.387 17.232 -29.428 1.00 0.00 H new ATOM 1183 N CYS A 82 24.219 19.385 -24.113 1.00 0.00 N ATOM 1184 CA CYS A 82 24.290 17.930 -24.156 1.00 0.00 C ATOM 1185 C CYS A 82 22.931 17.315 -23.837 1.00 0.00 C ATOM 1186 O CYS A 82 21.979 18.026 -23.515 1.00 0.00 O ATOM 1187 CB CYS A 82 25.344 17.415 -23.174 1.00 0.00 C ATOM 1188 SG CYS A 82 25.041 17.881 -21.438 1.00 0.00 S ATOM 0 H CYS A 82 24.011 19.771 -23.192 1.00 0.00 H new ATOM 0 HA CYS A 82 24.577 17.634 -25.165 1.00 0.00 H new ATOM 0 HB2 CYS A 82 25.389 16.328 -23.244 1.00 0.00 H new ATOM 0 HB3 CYS A 82 26.321 17.794 -23.475 1.00 0.00 H new ATOM 1193 N SER A 83 22.844 15.992 -23.933 1.00 0.00 N ATOM 1194 CA SER A 83 21.596 15.289 -23.657 1.00 0.00 C ATOM 1195 C SER A 83 21.596 14.716 -22.244 1.00 0.00 C ATOM 1196 O SER A 83 22.603 14.185 -21.779 1.00 0.00 O ATOM 1197 CB SER A 83 21.382 14.167 -24.675 1.00 0.00 C ATOM 1198 OG SER A 83 20.341 13.298 -24.264 1.00 0.00 O ATOM 0 H SER A 83 23.621 15.387 -24.199 1.00 0.00 H new ATOM 0 HA SER A 83 20.779 16.005 -23.739 1.00 0.00 H new ATOM 0 HB2 SER A 83 21.140 14.595 -25.648 1.00 0.00 H new ATOM 0 HB3 SER A 83 22.306 13.601 -24.797 1.00 0.00 H new ATOM 0 HG SER A 83 20.522 12.392 -24.591 1.00 0.00 H new ATOM 1204 N THR A 84 20.456 14.828 -21.565 1.00 0.00 N ATOM 1205 CA THR A 84 20.329 14.319 -20.204 1.00 0.00 C ATOM 1206 C THR A 84 19.921 12.850 -20.205 1.00 0.00 C ATOM 1207 O THR A 84 20.212 12.115 -19.261 1.00 0.00 O ATOM 1208 CB THR A 84 19.302 15.130 -19.389 1.00 0.00 C ATOM 1209 OG1 THR A 84 18.128 15.365 -20.175 1.00 0.00 O ATOM 1210 CG2 THR A 84 19.893 16.460 -18.943 1.00 0.00 C ATOM 0 H THR A 84 19.611 15.265 -21.934 1.00 0.00 H new ATOM 0 HA THR A 84 21.308 14.421 -19.736 1.00 0.00 H new ATOM 0 HB THR A 84 19.037 14.552 -18.503 1.00 0.00 H new ATOM 0 HG1 THR A 84 18.309 16.070 -20.831 1.00 0.00 H new ATOM 0 HG21 THR A 84 19.150 17.014 -18.370 1.00 0.00 H new ATOM 0 HG22 THR A 84 20.770 16.278 -18.321 1.00 0.00 H new ATOM 0 HG23 THR A 84 20.183 17.041 -19.818 1.00 0.00 H new ATOM 1218 N THR A 85 19.248 12.425 -21.270 1.00 0.00 N ATOM 1219 CA THR A 85 18.806 11.041 -21.388 1.00 0.00 C ATOM 1220 C THR A 85 19.241 10.435 -22.720 1.00 0.00 C ATOM 1221 O THR A 85 19.660 11.147 -23.632 1.00 0.00 O ATOM 1222 CB THR A 85 17.274 10.922 -21.242 1.00 0.00 C ATOM 1223 OG1 THR A 85 16.930 9.627 -20.738 1.00 0.00 O ATOM 1224 CG2 THR A 85 16.571 11.152 -22.572 1.00 0.00 C ATOM 0 H THR A 85 18.998 13.018 -22.061 1.00 0.00 H new ATOM 0 HA THR A 85 19.277 10.487 -20.576 1.00 0.00 H new ATOM 0 HB THR A 85 16.944 11.690 -20.542 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.957 9.560 -20.646 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.494 11.061 -22.435 1.00 0.00 H new ATOM 0 HG22 THR A 85 16.807 12.150 -22.940 1.00 0.00 H new ATOM 0 HG23 THR A 85 16.908 10.409 -23.295 1.00 0.00 H new ATOM 1232 N SER A 86 19.132 9.116 -22.822 1.00 0.00 N ATOM 1233 CA SER A 86 19.513 8.407 -24.039 1.00 0.00 C ATOM 1234 C SER A 86 18.623 8.810 -25.210 1.00 0.00 C ATOM 1235 O SER A 86 19.114 9.225 -26.260 1.00 0.00 O ATOM 1236 CB SER A 86 19.433 6.896 -23.820 1.00 0.00 C ATOM 1237 OG SER A 86 19.240 6.212 -25.046 1.00 0.00 O ATOM 0 H SER A 86 18.783 8.514 -22.076 1.00 0.00 H new ATOM 0 HA SER A 86 20.541 8.680 -24.279 1.00 0.00 H new ATOM 0 HB2 SER A 86 20.349 6.545 -23.345 1.00 0.00 H new ATOM 0 HB3 SER A 86 18.613 6.667 -23.139 1.00 0.00 H new ATOM 0 HG SER A 86 19.194 5.247 -24.879 1.00 0.00 H new ATOM 1243 N ASN A 87 17.314 8.683 -25.024 1.00 0.00 N ATOM 1244 CA ASN A 87 16.359 9.034 -26.069 1.00 0.00 C ATOM 1245 C ASN A 87 15.977 10.507 -25.993 1.00 0.00 C ATOM 1246 O ASN A 87 14.895 10.853 -25.519 1.00 0.00 O ATOM 1247 CB ASN A 87 15.105 8.168 -25.954 1.00 0.00 C ATOM 1248 CG ASN A 87 14.722 7.528 -27.273 1.00 0.00 C ATOM 1249 OD1 ASN A 87 15.493 7.544 -28.232 1.00 0.00 O ATOM 1250 ND2 ASN A 87 13.523 6.959 -27.328 1.00 0.00 N ATOM 0 H ASN A 87 16.890 8.340 -24.162 1.00 0.00 H new ATOM 0 HA ASN A 87 16.836 8.851 -27.032 1.00 0.00 H new ATOM 0 HB2 ASN A 87 15.272 7.389 -25.210 1.00 0.00 H new ATOM 0 HB3 ASN A 87 14.276 8.779 -25.596 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.210 6.512 -28.190 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.916 6.969 -26.509 1.00 0.00 H new ATOM 1257 N TYR A 88 16.867 11.370 -26.469 1.00 0.00 N ATOM 1258 CA TYR A 88 16.614 12.804 -26.460 1.00 0.00 C ATOM 1259 C TYR A 88 15.638 13.181 -27.569 1.00 0.00 C ATOM 1260 O TYR A 88 15.059 14.267 -27.559 1.00 0.00 O ATOM 1261 CB TYR A 88 17.923 13.577 -26.632 1.00 0.00 C ATOM 1262 CG TYR A 88 17.731 14.985 -27.149 1.00 0.00 C ATOM 1263 CD1 TYR A 88 17.674 15.242 -28.512 1.00 0.00 C ATOM 1264 CD2 TYR A 88 17.605 16.055 -26.273 1.00 0.00 C ATOM 1265 CE1 TYR A 88 17.497 16.527 -28.990 1.00 0.00 C ATOM 1266 CE2 TYR A 88 17.428 17.342 -26.742 1.00 0.00 C ATOM 1267 CZ TYR A 88 17.374 17.573 -28.100 1.00 0.00 C ATOM 1268 OH TYR A 88 17.198 18.854 -28.571 1.00 0.00 O ATOM 0 H TYR A 88 17.768 11.102 -26.865 1.00 0.00 H new ATOM 0 HA TYR A 88 16.172 13.068 -25.499 1.00 0.00 H new ATOM 0 HB2 TYR A 88 18.440 13.618 -25.673 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.570 13.032 -27.319 1.00 0.00 H new ATOM 0 HD1 TYR A 88 17.770 14.424 -29.211 1.00 0.00 H new ATOM 0 HD2 TYR A 88 17.646 15.878 -25.208 1.00 0.00 H new ATOM 0 HE1 TYR A 88 17.455 16.710 -30.053 1.00 0.00 H new ATOM 0 HE2 TYR A 88 17.332 18.164 -26.048 1.00 0.00 H new ATOM 0 HH TYR A 88 17.128 19.474 -27.815 1.00 0.00 H new ATOM 1278 N GLU A 89 15.465 12.275 -28.525 1.00 0.00 N ATOM 1279 CA GLU A 89 14.564 12.508 -29.646 1.00 0.00 C ATOM 1280 C GLU A 89 13.111 12.294 -29.236 1.00 0.00 C ATOM 1281 O GLU A 89 12.192 12.578 -30.005 1.00 0.00 O ATOM 1282 CB GLU A 89 14.918 11.586 -30.813 1.00 0.00 C ATOM 1283 CG GLU A 89 16.254 11.913 -31.463 1.00 0.00 C ATOM 1284 CD GLU A 89 16.347 11.409 -32.889 1.00 0.00 C ATOM 1285 OE1 GLU A 89 15.605 11.925 -33.750 1.00 0.00 O ATOM 1286 OE2 GLU A 89 17.162 10.497 -33.145 1.00 0.00 O ATOM 0 H GLU A 89 15.938 11.371 -28.545 1.00 0.00 H new ATOM 0 HA GLU A 89 14.682 13.545 -29.962 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.939 10.556 -30.458 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.132 11.648 -31.566 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.404 12.993 -31.453 1.00 0.00 H new ATOM 0 HG3 GLU A 89 17.058 11.473 -30.873 1.00 0.00 H new ATOM 1293 N GLN A 90 12.905 11.794 -28.021 1.00 0.00 N ATOM 1294 CA GLN A 90 11.558 11.549 -27.520 1.00 0.00 C ATOM 1295 C GLN A 90 11.282 12.376 -26.269 1.00 0.00 C ATOM 1296 O GLN A 90 10.227 12.995 -26.142 1.00 0.00 O ATOM 1297 CB GLN A 90 11.358 10.056 -27.232 1.00 0.00 C ATOM 1298 CG GLN A 90 11.650 9.659 -25.795 1.00 0.00 C ATOM 1299 CD GLN A 90 11.259 8.224 -25.497 1.00 0.00 C ATOM 1300 OE1 GLN A 90 10.472 7.619 -26.224 1.00 0.00 O ATOM 1301 NE2 GLN A 90 11.808 7.672 -24.421 1.00 0.00 N ATOM 0 H GLN A 90 13.650 11.552 -27.368 1.00 0.00 H new ATOM 0 HA GLN A 90 10.849 11.854 -28.290 1.00 0.00 H new ATOM 0 HB2 GLN A 90 10.330 9.785 -27.471 1.00 0.00 H new ATOM 0 HB3 GLN A 90 12.002 9.479 -27.896 1.00 0.00 H new ATOM 0 HG2 GLN A 90 12.713 9.792 -25.594 1.00 0.00 H new ATOM 0 HG3 GLN A 90 11.112 10.326 -25.121 1.00 0.00 H new ATOM 0 HE21 GLN A 90 12.456 8.210 -23.846 1.00 0.00 H new ATOM 0 HE22 GLN A 90 11.582 6.710 -24.170 1.00 0.00 H new ATOM 1310 N ASP A 91 12.240 12.384 -25.352 1.00 0.00 N ATOM 1311 CA ASP A 91 12.101 13.140 -24.114 1.00 0.00 C ATOM 1312 C ASP A 91 12.190 14.638 -24.389 1.00 0.00 C ATOM 1313 O ASP A 91 11.278 15.396 -24.062 1.00 0.00 O ATOM 1314 CB ASP A 91 13.176 12.719 -23.111 1.00 0.00 C ATOM 1315 CG ASP A 91 12.743 11.543 -22.259 1.00 0.00 C ATOM 1316 OD1 ASP A 91 12.351 10.505 -22.834 1.00 0.00 O ATOM 1317 OD2 ASP A 91 12.797 11.658 -21.017 1.00 0.00 O ATOM 0 H ASP A 91 13.120 11.877 -25.441 1.00 0.00 H new ATOM 0 HA ASP A 91 11.122 12.925 -23.686 1.00 0.00 H new ATOM 0 HB2 ASP A 91 14.088 12.459 -23.648 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.417 13.563 -22.465 1.00 0.00 H new ATOM 1322 N GLN A 92 13.293 15.053 -25.006 1.00 0.00 N ATOM 1323 CA GLN A 92 13.504 16.457 -25.343 1.00 0.00 C ATOM 1324 C GLN A 92 14.007 17.253 -24.144 1.00 0.00 C ATOM 1325 O GLN A 92 13.571 18.379 -23.910 1.00 0.00 O ATOM 1326 CB GLN A 92 12.210 17.078 -25.870 1.00 0.00 C ATOM 1327 CG GLN A 92 12.403 17.907 -27.129 1.00 0.00 C ATOM 1328 CD GLN A 92 11.511 17.453 -28.267 1.00 0.00 C ATOM 1329 OE1 GLN A 92 10.900 18.270 -28.956 1.00 0.00 O ATOM 1330 NE2 GLN A 92 11.431 16.144 -28.471 1.00 0.00 N ATOM 0 H GLN A 92 14.056 14.435 -25.283 1.00 0.00 H new ATOM 0 HA GLN A 92 14.267 16.496 -26.120 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.492 16.284 -26.074 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.776 17.708 -25.093 1.00 0.00 H new ATOM 0 HG2 GLN A 92 12.197 18.954 -26.906 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.445 17.847 -27.443 1.00 0.00 H new ATOM 0 HE21 GLN A 92 11.955 15.502 -27.876 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.846 15.780 -29.223 1.00 0.00 H new ATOM 1339 N LYS A 93 14.933 16.668 -23.395 1.00 0.00 N ATOM 1340 CA LYS A 93 15.499 17.335 -22.229 1.00 0.00 C ATOM 1341 C LYS A 93 17.017 17.419 -22.344 1.00 0.00 C ATOM 1342 O LYS A 93 17.720 16.416 -22.207 1.00 0.00 O ATOM 1343 CB LYS A 93 15.105 16.612 -20.937 1.00 0.00 C ATOM 1344 CG LYS A 93 14.445 15.261 -21.156 1.00 0.00 C ATOM 1345 CD LYS A 93 15.470 14.139 -21.155 1.00 0.00 C ATOM 1346 CE LYS A 93 15.656 13.564 -19.760 1.00 0.00 C ATOM 1347 NZ LYS A 93 14.798 12.369 -19.533 1.00 0.00 N ATOM 0 H LYS A 93 15.307 15.736 -23.573 1.00 0.00 H new ATOM 0 HA LYS A 93 15.094 18.346 -22.192 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.996 16.473 -20.325 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.425 17.248 -20.371 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.707 15.083 -20.374 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.909 15.265 -22.105 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.150 13.351 -21.836 1.00 0.00 H new ATOM 0 HD3 LYS A 93 16.424 14.514 -21.527 1.00 0.00 H new ATOM 0 HE2 LYS A 93 16.702 13.293 -19.616 1.00 0.00 H new ATOM 0 HE3 LYS A 93 15.419 14.327 -19.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.143 12.556 -18.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.254 12.163 -20.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 15.396 11.552 -19.298 1.00 0.00 H new ATOM 1361 N TYR A 94 17.511 18.622 -22.606 1.00 0.00 N ATOM 1362 CA TYR A 94 18.943 18.847 -22.752 1.00 0.00 C ATOM 1363 C TYR A 94 19.410 19.997 -21.866 1.00 0.00 C ATOM 1364 O TYR A 94 18.599 20.759 -21.338 1.00 0.00 O ATOM 1365 CB TYR A 94 19.276 19.154 -24.213 1.00 0.00 C ATOM 1366 CG TYR A 94 18.932 20.568 -24.629 1.00 0.00 C ATOM 1367 CD1 TYR A 94 19.694 21.646 -24.193 1.00 0.00 C ATOM 1368 CD2 TYR A 94 17.844 20.826 -25.454 1.00 0.00 C ATOM 1369 CE1 TYR A 94 19.381 22.939 -24.568 1.00 0.00 C ATOM 1370 CE2 TYR A 94 17.526 22.116 -25.833 1.00 0.00 C ATOM 1371 CZ TYR A 94 18.297 23.168 -25.388 1.00 0.00 C ATOM 1372 OH TYR A 94 17.983 24.454 -25.765 1.00 0.00 O ATOM 0 H TYR A 94 16.939 19.459 -22.722 1.00 0.00 H new ATOM 0 HA TYR A 94 19.463 17.941 -22.442 1.00 0.00 H new ATOM 0 HB2 TYR A 94 20.340 18.985 -24.378 1.00 0.00 H new ATOM 0 HB3 TYR A 94 18.739 18.455 -24.854 1.00 0.00 H new ATOM 0 HD1 TYR A 94 20.544 21.470 -23.551 1.00 0.00 H new ATOM 0 HD2 TYR A 94 17.237 20.005 -25.805 1.00 0.00 H new ATOM 0 HE1 TYR A 94 19.983 23.766 -24.220 1.00 0.00 H new ATOM 0 HE2 TYR A 94 16.677 22.299 -26.475 1.00 0.00 H new ATOM 0 HH TYR A 94 17.192 24.441 -26.344 1.00 0.00 H new ATOM 1382 N SER A 95 20.724 20.121 -21.717 1.00 0.00 N ATOM 1383 CA SER A 95 21.310 21.181 -20.907 1.00 0.00 C ATOM 1384 C SER A 95 22.375 21.926 -21.701 1.00 0.00 C ATOM 1385 O SER A 95 22.646 21.591 -22.852 1.00 0.00 O ATOM 1386 CB SER A 95 21.921 20.603 -19.628 1.00 0.00 C ATOM 1387 OG SER A 95 22.859 21.500 -19.059 1.00 0.00 O ATOM 0 H SER A 95 21.406 19.497 -22.149 1.00 0.00 H new ATOM 0 HA SER A 95 20.520 21.880 -20.633 1.00 0.00 H new ATOM 0 HB2 SER A 95 21.131 20.393 -18.907 1.00 0.00 H new ATOM 0 HB3 SER A 95 22.410 19.655 -19.851 1.00 0.00 H new ATOM 0 HG SER A 95 22.439 21.987 -18.320 1.00 0.00 H new ATOM 1393 N PHE A 96 22.980 22.933 -21.083 1.00 0.00 N ATOM 1394 CA PHE A 96 24.018 23.714 -21.743 1.00 0.00 C ATOM 1395 C PHE A 96 25.398 23.305 -21.247 1.00 0.00 C ATOM 1396 O PHE A 96 25.524 22.450 -20.369 1.00 0.00 O ATOM 1397 CB PHE A 96 23.793 25.209 -21.510 1.00 0.00 C ATOM 1398 CG PHE A 96 22.730 25.792 -22.395 1.00 0.00 C ATOM 1399 CD1 PHE A 96 22.659 25.442 -23.733 1.00 0.00 C ATOM 1400 CD2 PHE A 96 21.800 26.687 -21.891 1.00 0.00 C ATOM 1401 CE1 PHE A 96 21.680 25.968 -24.552 1.00 0.00 C ATOM 1402 CE2 PHE A 96 20.818 27.220 -22.705 1.00 0.00 C ATOM 1403 CZ PHE A 96 20.758 26.859 -24.038 1.00 0.00 C ATOM 0 H PHE A 96 22.771 23.227 -20.129 1.00 0.00 H new ATOM 0 HA PHE A 96 23.964 23.516 -22.813 1.00 0.00 H new ATOM 0 HB2 PHE A 96 23.518 25.370 -20.468 1.00 0.00 H new ATOM 0 HB3 PHE A 96 24.729 25.741 -21.678 1.00 0.00 H new ATOM 0 HD1 PHE A 96 23.379 24.748 -24.141 1.00 0.00 H new ATOM 0 HD2 PHE A 96 21.843 26.972 -20.850 1.00 0.00 H new ATOM 0 HE1 PHE A 96 21.635 25.683 -25.593 1.00 0.00 H new ATOM 0 HE2 PHE A 96 20.099 27.917 -22.300 1.00 0.00 H new ATOM 0 HZ PHE A 96 19.992 27.273 -24.677 1.00 0.00 H new ATOM 1413 N CYS A 97 26.432 23.913 -21.814 1.00 0.00 N ATOM 1414 CA CYS A 97 27.803 23.601 -21.427 1.00 0.00 C ATOM 1415 C CYS A 97 28.721 24.801 -21.631 1.00 0.00 C ATOM 1416 O CYS A 97 28.792 25.362 -22.725 1.00 0.00 O ATOM 1417 CB CYS A 97 28.322 22.412 -22.237 1.00 0.00 C ATOM 1418 SG CYS A 97 27.308 20.906 -22.090 1.00 0.00 S ATOM 0 H CYS A 97 26.349 24.623 -22.541 1.00 0.00 H new ATOM 0 HA CYS A 97 27.801 23.346 -20.367 1.00 0.00 H new ATOM 0 HB2 CYS A 97 28.376 22.699 -23.287 1.00 0.00 H new ATOM 0 HB3 CYS A 97 29.338 22.184 -21.916 1.00 0.00 H new ATOM 1423 N THR A 98 29.429 25.184 -20.574 1.00 0.00 N ATOM 1424 CA THR A 98 30.353 26.315 -20.646 1.00 0.00 C ATOM 1425 C THR A 98 31.572 25.968 -21.492 1.00 0.00 C ATOM 1426 O THR A 98 31.884 26.655 -22.464 1.00 0.00 O ATOM 1427 CB THR A 98 30.828 26.777 -19.251 1.00 0.00 C ATOM 1428 OG1 THR A 98 32.162 27.291 -19.337 1.00 0.00 O ATOM 1429 CG2 THR A 98 30.788 25.640 -18.241 1.00 0.00 C ATOM 0 H THR A 98 29.383 24.732 -19.661 1.00 0.00 H new ATOM 0 HA THR A 98 29.799 27.132 -21.108 1.00 0.00 H new ATOM 0 HB THR A 98 30.149 27.559 -18.911 1.00 0.00 H new ATOM 0 HG1 THR A 98 32.457 27.584 -18.450 1.00 0.00 H new ATOM 0 HG21 THR A 98 31.129 26.003 -17.271 1.00 0.00 H new ATOM 0 HG22 THR A 98 29.767 25.269 -18.151 1.00 0.00 H new ATOM 0 HG23 THR A 98 31.439 24.833 -18.576 1.00 0.00 H new