USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=26 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 3 HIS : no HD1:sc= -3.68! C(o=-5.7!,f=-6.8!) USER MOD Set 1.2: A 13 SER OG : rot 97:sc= -1.97! USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.49 USER MOD Single : A 8 SER OG : rot -56:sc= 1 USER MOD Single : A 12 TYR OH : rot -95:sc= 1.79 USER MOD Single : A 16 MET CE :methyl -117:sc= -0.0732 (180deg=-1.4!) USER MOD Single : A 17 GLN : amide:sc= -2.52! C(o=-2.5!,f=-5.8!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.161 K(o=-0.16,f=-2.5!) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 170:sc= -2.55! USER MOD Single : A 34 ASN : amide:sc= -3.66! C(o=-3.7!,f=-5.4!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -1.12 X(o=-1.1,f=-1.1) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.0074) 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= 0.481 K(o=0.48,f=1.3) USER MOD Single : A 51 SER OG : rot -30:sc= 0.987 USER MOD Single : A 52 ASN : amide:sc= -2.94! C(o=-2.9!,f=-1.5!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 30:sc= -1.74! USER MOD Single : A 63 ASN : amide:sc= -1.12 K(o=-1.1,f=-2) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -1.35! USER MOD Single : A 71 THR OG1 : rot 171:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.322 K(o=-0.32,f=-0.87) USER MOD Single : A 83 SER OG : rot 180:sc= -0.665 USER MOD Single : A 84 THR OG1 : rot -22:sc= -1.12! USER MOD Single : A 85 THR OG1 : rot -160:sc= -0.0408 USER MOD Single : A 86 SER OG : rot 180:sc= 0.0671 USER MOD Single : A 87 ASN : amide:sc=-0.00788 X(o=-0.0079,f=-0.0079) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.125 USER MOD Single : A 90 GLN : amide:sc= 0.247 K(o=0.25,f=-0.43) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0.087) USER MOD Single : A 93 LYS NZ :NH3+ 158:sc= 0.851 (180deg=0.562) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -157:sc= -4.44! USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0602 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 44.254 4.282 -42.540 1.00 0.00 N ATOM 32 CA HIS A 3 43.975 3.864 -41.172 1.00 0.00 C ATOM 33 C HIS A 3 44.570 4.847 -40.168 1.00 0.00 C ATOM 34 O HIS A 3 45.540 5.544 -40.467 1.00 0.00 O ATOM 35 CB HIS A 3 44.529 2.461 -40.919 1.00 0.00 C ATOM 36 CG HIS A 3 43.553 1.370 -41.231 1.00 0.00 C ATOM 37 ND1 HIS A 3 43.145 1.068 -42.514 1.00 0.00 N ATOM 38 CD2 HIS A 3 42.903 0.503 -40.418 1.00 0.00 C ATOM 39 CE1 HIS A 3 42.286 0.065 -42.476 1.00 0.00 C ATOM 40 NE2 HIS A 3 42.122 -0.296 -41.217 1.00 0.00 N ATOM 0 HA HIS A 3 42.893 3.848 -41.040 1.00 0.00 H new ATOM 0 HB2 HIS A 3 45.426 2.319 -41.522 1.00 0.00 H new ATOM 0 HB3 HIS A 3 44.831 2.381 -39.875 1.00 0.00 H new ATOM 0 HD2 HIS A 3 42.984 0.450 -39.342 1.00 0.00 H new ATOM 0 HE1 HIS A 3 41.800 -0.383 -43.330 1.00 0.00 H new ATOM 0 HE2 HIS A 3 41.514 -1.047 -40.890 1.00 0.00 H new ATOM 49 N CYS A 4 43.982 4.897 -38.977 1.00 0.00 N ATOM 50 CA CYS A 4 44.453 5.796 -37.927 1.00 0.00 C ATOM 51 C CYS A 4 45.074 5.011 -36.778 1.00 0.00 C ATOM 52 O CYS A 4 44.424 4.161 -36.174 1.00 0.00 O ATOM 53 CB CYS A 4 43.301 6.654 -37.407 1.00 0.00 C ATOM 54 SG CYS A 4 41.655 5.905 -37.646 1.00 0.00 S ATOM 0 H CYS A 4 43.179 4.326 -38.714 1.00 0.00 H new ATOM 0 HA CYS A 4 45.216 6.445 -38.355 1.00 0.00 H new ATOM 0 HB2 CYS A 4 43.453 6.843 -36.344 1.00 0.00 H new ATOM 0 HB3 CYS A 4 43.326 7.621 -37.909 1.00 0.00 H new ATOM 59 N VAL A 5 46.334 5.302 -36.477 1.00 0.00 N ATOM 60 CA VAL A 5 47.035 4.619 -35.396 1.00 0.00 C ATOM 61 C VAL A 5 47.540 5.613 -34.355 1.00 0.00 C ATOM 62 O VAL A 5 48.052 6.679 -34.696 1.00 0.00 O ATOM 63 CB VAL A 5 48.227 3.802 -35.927 1.00 0.00 C ATOM 64 CG1 VAL A 5 48.826 2.951 -34.818 1.00 0.00 C ATOM 65 CG2 VAL A 5 47.799 2.935 -37.101 1.00 0.00 C ATOM 0 H VAL A 5 46.890 6.004 -36.965 1.00 0.00 H new ATOM 0 HA VAL A 5 46.318 3.942 -34.932 1.00 0.00 H new ATOM 0 HB VAL A 5 48.992 4.495 -36.277 1.00 0.00 H new ATOM 0 HG11 VAL A 5 49.667 2.380 -35.211 1.00 0.00 H new ATOM 0 HG12 VAL A 5 49.171 3.596 -34.010 1.00 0.00 H new ATOM 0 HG13 VAL A 5 48.069 2.265 -34.436 1.00 0.00 H new ATOM 0 HG21 VAL A 5 48.654 2.365 -37.463 1.00 0.00 H new ATOM 0 HG22 VAL A 5 47.015 2.249 -36.780 1.00 0.00 H new ATOM 0 HG23 VAL A 5 47.420 3.569 -37.903 1.00 0.00 H new ATOM 75 N THR A 6 47.391 5.254 -33.084 1.00 0.00 N ATOM 76 CA THR A 6 47.832 6.114 -31.993 1.00 0.00 C ATOM 77 C THR A 6 49.349 6.075 -31.846 1.00 0.00 C ATOM 78 O THR A 6 50.056 6.939 -32.362 1.00 0.00 O ATOM 79 CB THR A 6 47.187 5.701 -30.656 1.00 0.00 C ATOM 80 OG1 THR A 6 47.327 4.289 -30.461 1.00 0.00 O ATOM 81 CG2 THR A 6 45.715 6.078 -30.630 1.00 0.00 C ATOM 0 H THR A 6 46.969 4.375 -32.785 1.00 0.00 H new ATOM 0 HA THR A 6 47.518 7.128 -32.240 1.00 0.00 H new ATOM 0 HB THR A 6 47.697 6.230 -29.851 1.00 0.00 H new ATOM 0 HG1 THR A 6 46.916 4.034 -29.608 1.00 0.00 H new ATOM 0 HG21 THR A 6 45.279 5.777 -29.677 1.00 0.00 H new ATOM 0 HG22 THR A 6 45.613 7.156 -30.751 1.00 0.00 H new ATOM 0 HG23 THR A 6 45.195 5.571 -31.443 1.00 0.00 H new ATOM 89 N ASP A 7 49.841 5.064 -31.138 1.00 0.00 N ATOM 90 CA ASP A 7 51.274 4.908 -30.921 1.00 0.00 C ATOM 91 C ASP A 7 51.783 3.624 -31.567 1.00 0.00 C ATOM 92 O ASP A 7 52.855 3.604 -32.173 1.00 0.00 O ATOM 93 CB ASP A 7 51.587 4.897 -29.424 1.00 0.00 C ATOM 94 CG ASP A 7 50.448 4.328 -28.601 1.00 0.00 C ATOM 95 OD1 ASP A 7 50.159 3.121 -28.743 1.00 0.00 O ATOM 96 OD2 ASP A 7 49.846 5.089 -27.815 1.00 0.00 O ATOM 0 H ASP A 7 49.268 4.340 -30.705 1.00 0.00 H new ATOM 0 HA ASP A 7 51.781 5.754 -31.384 1.00 0.00 H new ATOM 0 HB2 ASP A 7 52.488 4.309 -29.248 1.00 0.00 H new ATOM 0 HB3 ASP A 7 51.799 5.913 -29.092 1.00 0.00 H new ATOM 101 N SER A 8 51.006 2.556 -31.431 1.00 0.00 N ATOM 102 CA SER A 8 51.371 1.263 -31.999 1.00 0.00 C ATOM 103 C SER A 8 50.638 0.130 -31.286 1.00 0.00 C ATOM 104 O SER A 8 51.245 -0.866 -30.896 1.00 0.00 O ATOM 105 CB SER A 8 52.884 1.046 -31.901 1.00 0.00 C ATOM 106 OG SER A 8 53.215 -0.322 -32.055 1.00 0.00 O ATOM 0 H SER A 8 50.117 2.560 -30.931 1.00 0.00 H new ATOM 0 HA SER A 8 51.078 1.260 -33.049 1.00 0.00 H new ATOM 0 HB2 SER A 8 53.389 1.634 -32.668 1.00 0.00 H new ATOM 0 HB3 SER A 8 53.244 1.404 -30.936 1.00 0.00 H new ATOM 0 HG SER A 8 52.728 -0.853 -31.391 1.00 0.00 H new ATOM 112 N GLY A 9 49.328 0.291 -31.119 1.00 0.00 N ATOM 113 CA GLY A 9 48.535 -0.725 -30.453 1.00 0.00 C ATOM 114 C GLY A 9 47.122 -0.812 -30.998 1.00 0.00 C ATOM 115 O GLY A 9 46.579 -1.904 -31.160 1.00 0.00 O ATOM 0 H GLY A 9 48.803 1.107 -31.433 1.00 0.00 H new ATOM 0 HA2 GLY A 9 49.024 -1.693 -30.564 1.00 0.00 H new ATOM 0 HA3 GLY A 9 48.496 -0.508 -29.385 1.00 0.00 H new ATOM 119 N VAL A 10 46.528 0.341 -31.280 1.00 0.00 N ATOM 120 CA VAL A 10 45.170 0.393 -31.809 1.00 0.00 C ATOM 121 C VAL A 10 45.146 0.976 -33.217 1.00 0.00 C ATOM 122 O VAL A 10 45.124 2.194 -33.395 1.00 0.00 O ATOM 123 CB VAL A 10 44.244 1.227 -30.904 1.00 0.00 C ATOM 124 CG1 VAL A 10 42.810 0.731 -31.003 1.00 0.00 C ATOM 125 CG2 VAL A 10 44.731 1.189 -29.463 1.00 0.00 C ATOM 0 H VAL A 10 46.965 1.253 -31.151 1.00 0.00 H new ATOM 0 HA VAL A 10 44.807 -0.634 -31.840 1.00 0.00 H new ATOM 0 HB VAL A 10 44.269 2.262 -31.245 1.00 0.00 H new ATOM 0 HG11 VAL A 10 42.171 1.333 -30.356 1.00 0.00 H new ATOM 0 HG12 VAL A 10 42.466 0.816 -32.034 1.00 0.00 H new ATOM 0 HG13 VAL A 10 42.763 -0.312 -30.690 1.00 0.00 H new ATOM 0 HG21 VAL A 10 44.065 1.784 -28.838 1.00 0.00 H new ATOM 0 HG22 VAL A 10 44.738 0.158 -29.108 1.00 0.00 H new ATOM 0 HG23 VAL A 10 45.740 1.598 -29.409 1.00 0.00 H new ATOM 135 N VAL A 11 45.150 0.099 -34.215 1.00 0.00 N ATOM 136 CA VAL A 11 45.126 0.525 -35.609 1.00 0.00 C ATOM 137 C VAL A 11 43.706 0.855 -36.059 1.00 0.00 C ATOM 138 O VAL A 11 43.017 0.017 -36.642 1.00 0.00 O ATOM 139 CB VAL A 11 45.710 -0.553 -36.539 1.00 0.00 C ATOM 140 CG1 VAL A 11 46.343 0.087 -37.765 1.00 0.00 C ATOM 141 CG2 VAL A 11 46.722 -1.412 -35.794 1.00 0.00 C ATOM 0 H VAL A 11 45.170 -0.912 -34.084 1.00 0.00 H new ATOM 0 HA VAL A 11 45.743 1.421 -35.675 1.00 0.00 H new ATOM 0 HB VAL A 11 44.897 -1.198 -36.872 1.00 0.00 H new ATOM 0 HG11 VAL A 11 46.751 -0.690 -38.411 1.00 0.00 H new ATOM 0 HG12 VAL A 11 45.588 0.654 -38.310 1.00 0.00 H new ATOM 0 HG13 VAL A 11 47.144 0.757 -37.453 1.00 0.00 H new ATOM 0 HG21 VAL A 11 47.124 -2.168 -36.468 1.00 0.00 H new ATOM 0 HG22 VAL A 11 47.534 -0.783 -35.429 1.00 0.00 H new ATOM 0 HG23 VAL A 11 46.234 -1.900 -34.951 1.00 0.00 H new ATOM 151 N TYR A 12 43.278 2.081 -35.784 1.00 0.00 N ATOM 152 CA TYR A 12 41.943 2.533 -36.157 1.00 0.00 C ATOM 153 C TYR A 12 41.822 2.694 -37.668 1.00 0.00 C ATOM 154 O TYR A 12 42.726 2.330 -38.420 1.00 0.00 O ATOM 155 CB TYR A 12 41.624 3.869 -35.480 1.00 0.00 C ATOM 156 CG TYR A 12 41.459 3.778 -33.983 1.00 0.00 C ATOM 157 CD1 TYR A 12 40.361 3.140 -33.423 1.00 0.00 C ATOM 158 CD2 TYR A 12 42.405 4.331 -33.130 1.00 0.00 C ATOM 159 CE1 TYR A 12 40.208 3.056 -32.052 1.00 0.00 C ATOM 160 CE2 TYR A 12 42.261 4.251 -31.758 1.00 0.00 C ATOM 161 CZ TYR A 12 41.161 3.612 -31.224 1.00 0.00 C ATOM 162 OH TYR A 12 41.013 3.531 -29.858 1.00 0.00 O ATOM 0 H TYR A 12 43.839 2.783 -35.302 1.00 0.00 H new ATOM 0 HA TYR A 12 41.232 1.777 -35.825 1.00 0.00 H new ATOM 0 HB2 TYR A 12 42.422 4.577 -35.704 1.00 0.00 H new ATOM 0 HB3 TYR A 12 40.708 4.273 -35.912 1.00 0.00 H new ATOM 0 HD1 TYR A 12 39.614 2.702 -34.069 1.00 0.00 H new ATOM 0 HD2 TYR A 12 43.267 4.832 -33.546 1.00 0.00 H new ATOM 0 HE1 TYR A 12 39.347 2.558 -31.631 1.00 0.00 H new ATOM 0 HE2 TYR A 12 43.005 4.686 -31.107 1.00 0.00 H new ATOM 0 HH TYR A 12 40.584 4.347 -29.526 1.00 0.00 H new ATOM 172 N SER A 13 40.698 3.254 -38.100 1.00 0.00 N ATOM 173 CA SER A 13 40.442 3.487 -39.514 1.00 0.00 C ATOM 174 C SER A 13 39.790 4.850 -39.718 1.00 0.00 C ATOM 175 O SER A 13 39.014 5.308 -38.881 1.00 0.00 O ATOM 176 CB SER A 13 39.548 2.386 -40.085 1.00 0.00 C ATOM 177 OG SER A 13 40.306 1.441 -40.820 1.00 0.00 O ATOM 0 H SER A 13 39.944 3.557 -37.484 1.00 0.00 H new ATOM 0 HA SER A 13 41.395 3.471 -40.043 1.00 0.00 H new ATOM 0 HB2 SER A 13 39.023 1.883 -39.273 1.00 0.00 H new ATOM 0 HB3 SER A 13 38.789 2.828 -40.730 1.00 0.00 H new ATOM 0 HG SER A 13 40.505 0.668 -40.252 1.00 0.00 H new ATOM 183 N VAL A 14 40.122 5.498 -40.830 1.00 0.00 N ATOM 184 CA VAL A 14 39.582 6.817 -41.144 1.00 0.00 C ATOM 185 C VAL A 14 38.093 6.919 -40.814 1.00 0.00 C ATOM 186 O VAL A 14 37.241 6.696 -41.673 1.00 0.00 O ATOM 187 CB VAL A 14 39.788 7.163 -42.631 1.00 0.00 C ATOM 188 CG1 VAL A 14 39.365 6.001 -43.516 1.00 0.00 C ATOM 189 CG2 VAL A 14 39.024 8.426 -42.998 1.00 0.00 C ATOM 0 H VAL A 14 40.765 5.130 -41.531 1.00 0.00 H new ATOM 0 HA VAL A 14 40.128 7.528 -40.524 1.00 0.00 H new ATOM 0 HB VAL A 14 40.850 7.347 -42.796 1.00 0.00 H new ATOM 0 HG11 VAL A 14 39.518 6.266 -44.562 1.00 0.00 H new ATOM 0 HG12 VAL A 14 39.962 5.122 -43.273 1.00 0.00 H new ATOM 0 HG13 VAL A 14 38.311 5.781 -43.348 1.00 0.00 H new ATOM 0 HG21 VAL A 14 39.182 8.654 -44.052 1.00 0.00 H new ATOM 0 HG22 VAL A 14 37.960 8.274 -42.815 1.00 0.00 H new ATOM 0 HG23 VAL A 14 39.381 9.257 -42.390 1.00 0.00 H new ATOM 199 N GLY A 15 37.790 7.276 -39.569 1.00 0.00 N ATOM 200 CA GLY A 15 36.407 7.421 -39.151 1.00 0.00 C ATOM 201 C GLY A 15 35.978 6.401 -38.113 1.00 0.00 C ATOM 202 O GLY A 15 34.816 5.996 -38.082 1.00 0.00 O ATOM 0 H GLY A 15 38.479 7.468 -38.841 1.00 0.00 H new ATOM 0 HA2 GLY A 15 36.261 8.423 -38.746 1.00 0.00 H new ATOM 0 HA3 GLY A 15 35.761 7.333 -40.024 1.00 0.00 H new ATOM 206 N MET A 16 36.906 5.990 -37.257 1.00 0.00 N ATOM 207 CA MET A 16 36.598 5.021 -36.212 1.00 0.00 C ATOM 208 C MET A 16 36.579 5.696 -34.848 1.00 0.00 C ATOM 209 O MET A 16 37.192 5.211 -33.897 1.00 0.00 O ATOM 210 CB MET A 16 37.619 3.884 -36.221 1.00 0.00 C ATOM 211 CG MET A 16 37.095 2.600 -36.844 1.00 0.00 C ATOM 212 SD MET A 16 37.018 1.238 -35.665 1.00 0.00 S ATOM 213 CE MET A 16 38.621 0.481 -35.918 1.00 0.00 C ATOM 0 H MET A 16 37.874 6.311 -37.265 1.00 0.00 H new ATOM 0 HA MET A 16 35.610 4.606 -36.410 1.00 0.00 H new ATOM 0 HB2 MET A 16 38.505 4.207 -36.767 1.00 0.00 H new ATOM 0 HB3 MET A 16 37.932 3.680 -35.197 1.00 0.00 H new ATOM 0 HG2 MET A 16 36.100 2.778 -37.253 1.00 0.00 H new ATOM 0 HG3 MET A 16 37.737 2.317 -37.679 1.00 0.00 H new ATOM 0 HE1 MET A 16 38.489 -0.534 -36.293 1.00 0.00 H new ATOM 0 HE2 MET A 16 39.189 1.065 -36.642 1.00 0.00 H new ATOM 0 HE3 MET A 16 39.162 0.450 -34.972 1.00 0.00 H new ATOM 223 N GLN A 17 35.874 6.821 -34.769 1.00 0.00 N ATOM 224 CA GLN A 17 35.762 7.589 -33.534 1.00 0.00 C ATOM 225 C GLN A 17 35.888 6.700 -32.301 1.00 0.00 C ATOM 226 O GLN A 17 35.207 5.682 -32.183 1.00 0.00 O ATOM 227 CB GLN A 17 34.427 8.331 -33.499 1.00 0.00 C ATOM 228 CG GLN A 17 34.533 9.743 -32.952 1.00 0.00 C ATOM 229 CD GLN A 17 33.317 10.147 -32.140 1.00 0.00 C ATOM 230 OE1 GLN A 17 33.403 10.996 -31.254 1.00 0.00 O ATOM 231 NE2 GLN A 17 32.175 9.538 -32.439 1.00 0.00 N ATOM 0 H GLN A 17 35.366 7.224 -35.556 1.00 0.00 H new ATOM 0 HA GLN A 17 36.583 8.306 -33.516 1.00 0.00 H new ATOM 0 HB2 GLN A 17 34.016 8.371 -34.508 1.00 0.00 H new ATOM 0 HB3 GLN A 17 33.722 7.766 -32.889 1.00 0.00 H new ATOM 0 HG2 GLN A 17 35.424 9.821 -32.329 1.00 0.00 H new ATOM 0 HG3 GLN A 17 34.661 10.441 -33.780 1.00 0.00 H new ATOM 0 HE21 GLN A 17 32.149 8.840 -33.182 1.00 0.00 H new ATOM 0 HE22 GLN A 17 31.324 9.769 -31.926 1.00 0.00 H new ATOM 240 N TRP A 18 36.760 7.103 -31.383 1.00 0.00 N ATOM 241 CA TRP A 18 36.975 6.357 -30.151 1.00 0.00 C ATOM 242 C TRP A 18 37.206 7.309 -28.983 1.00 0.00 C ATOM 243 O TRP A 18 37.110 8.529 -29.134 1.00 0.00 O ATOM 244 CB TRP A 18 38.160 5.400 -30.301 1.00 0.00 C ATOM 245 CG TRP A 18 39.488 6.091 -30.355 1.00 0.00 C ATOM 246 CD1 TRP A 18 40.262 6.459 -29.293 1.00 0.00 C ATOM 247 CD2 TRP A 18 40.199 6.495 -31.531 1.00 0.00 C ATOM 248 NE1 TRP A 18 41.412 7.065 -29.736 1.00 0.00 N ATOM 249 CE2 TRP A 18 41.396 7.101 -31.106 1.00 0.00 C ATOM 250 CE3 TRP A 18 39.941 6.403 -32.901 1.00 0.00 C ATOM 251 CZ2 TRP A 18 42.332 7.612 -32.005 1.00 0.00 C ATOM 252 CZ3 TRP A 18 40.868 6.910 -33.789 1.00 0.00 C ATOM 253 CH2 TRP A 18 42.050 7.507 -33.339 1.00 0.00 C ATOM 0 H TRP A 18 37.330 7.944 -31.470 1.00 0.00 H new ATOM 0 HA TRP A 18 36.080 5.769 -29.947 1.00 0.00 H new ATOM 0 HB2 TRP A 18 38.158 4.700 -29.466 1.00 0.00 H new ATOM 0 HB3 TRP A 18 38.029 4.813 -31.210 1.00 0.00 H new ATOM 0 HD1 TRP A 18 40.007 6.297 -28.256 1.00 0.00 H new ATOM 0 HE1 TRP A 18 42.157 7.429 -29.142 1.00 0.00 H new ATOM 0 HE3 TRP A 18 39.032 5.943 -33.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 43.246 8.073 -31.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 40.677 6.845 -34.850 1.00 0.00 H new ATOM 0 HH2 TRP A 18 42.755 7.893 -34.060 1.00 0.00 H new ATOM 264 N LEU A 19 37.505 6.753 -27.816 1.00 0.00 N ATOM 265 CA LEU A 19 37.738 7.566 -26.629 1.00 0.00 C ATOM 266 C LEU A 19 38.821 6.961 -25.746 1.00 0.00 C ATOM 267 O LEU A 19 38.833 5.756 -25.495 1.00 0.00 O ATOM 268 CB LEU A 19 36.443 7.717 -25.830 1.00 0.00 C ATOM 269 CG LEU A 19 36.549 8.598 -24.583 1.00 0.00 C ATOM 270 CD1 LEU A 19 35.943 9.967 -24.845 1.00 0.00 C ATOM 271 CD2 LEU A 19 35.867 7.930 -23.399 1.00 0.00 C ATOM 0 H LEU A 19 37.592 5.748 -27.666 1.00 0.00 H new ATOM 0 HA LEU A 19 38.077 8.548 -26.959 1.00 0.00 H new ATOM 0 HB2 LEU A 19 35.677 8.132 -26.485 1.00 0.00 H new ATOM 0 HB3 LEU A 19 36.103 6.726 -25.528 1.00 0.00 H new ATOM 0 HG LEU A 19 37.604 8.729 -24.343 1.00 0.00 H new ATOM 0 HD11 LEU A 19 36.027 10.580 -23.948 1.00 0.00 H new ATOM 0 HD12 LEU A 19 36.475 10.449 -25.665 1.00 0.00 H new ATOM 0 HD13 LEU A 19 34.892 9.855 -25.110 1.00 0.00 H new ATOM 0 HD21 LEU A 19 35.952 8.571 -22.521 1.00 0.00 H new ATOM 0 HD22 LEU A 19 34.814 7.768 -23.629 1.00 0.00 H new ATOM 0 HD23 LEU A 19 36.345 6.972 -23.197 1.00 0.00 H new ATOM 283 N LYS A 20 39.725 7.810 -25.273 1.00 0.00 N ATOM 284 CA LYS A 20 40.814 7.368 -24.411 1.00 0.00 C ATOM 285 C LYS A 20 40.626 7.899 -22.994 1.00 0.00 C ATOM 286 O LYS A 20 39.833 8.812 -22.762 1.00 0.00 O ATOM 287 CB LYS A 20 42.158 7.835 -24.969 1.00 0.00 C ATOM 288 CG LYS A 20 42.307 9.348 -25.008 1.00 0.00 C ATOM 289 CD LYS A 20 43.685 9.760 -25.501 1.00 0.00 C ATOM 290 CE LYS A 20 44.642 10.001 -24.345 1.00 0.00 C ATOM 291 NZ LYS A 20 45.984 9.406 -24.597 1.00 0.00 N ATOM 0 H LYS A 20 39.725 8.810 -25.472 1.00 0.00 H new ATOM 0 HA LYS A 20 40.804 6.278 -24.380 1.00 0.00 H new ATOM 0 HB2 LYS A 20 42.960 7.415 -24.362 1.00 0.00 H new ATOM 0 HB3 LYS A 20 42.281 7.440 -25.977 1.00 0.00 H new ATOM 0 HG2 LYS A 20 41.544 9.773 -25.660 1.00 0.00 H new ATOM 0 HG3 LYS A 20 42.139 9.757 -24.012 1.00 0.00 H new ATOM 0 HD2 LYS A 20 44.087 8.983 -26.151 1.00 0.00 H new ATOM 0 HD3 LYS A 20 43.602 10.666 -26.101 1.00 0.00 H new ATOM 0 HE2 LYS A 20 44.746 11.073 -24.179 1.00 0.00 H new ATOM 0 HE3 LYS A 20 44.223 9.576 -23.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 46.605 9.594 -23.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 45.889 8.379 -24.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 46.396 9.829 -25.453 1.00 0.00 H new ATOM 379 N GLN A 26 38.978 12.278 -18.904 1.00 0.00 N ATOM 380 CA GLN A 26 38.275 11.772 -20.077 1.00 0.00 C ATOM 381 C GLN A 26 38.743 12.484 -21.342 1.00 0.00 C ATOM 382 O GLN A 26 38.690 13.711 -21.431 1.00 0.00 O ATOM 383 CB GLN A 26 36.765 11.947 -19.908 1.00 0.00 C ATOM 384 CG GLN A 26 36.209 11.274 -18.665 1.00 0.00 C ATOM 385 CD GLN A 26 34.833 10.680 -18.888 1.00 0.00 C ATOM 386 OE1 GLN A 26 34.284 10.752 -19.988 1.00 0.00 O ATOM 387 NE2 GLN A 26 34.266 10.087 -17.844 1.00 0.00 N ATOM 0 HA GLN A 26 38.502 10.710 -20.175 1.00 0.00 H new ATOM 0 HB2 GLN A 26 36.533 13.011 -19.869 1.00 0.00 H new ATOM 0 HB3 GLN A 26 36.261 11.543 -20.786 1.00 0.00 H new ATOM 0 HG2 GLN A 26 36.893 10.487 -18.346 1.00 0.00 H new ATOM 0 HG3 GLN A 26 36.159 12.001 -17.854 1.00 0.00 H new ATOM 0 HE21 GLN A 26 34.756 10.050 -16.950 1.00 0.00 H new ATOM 0 HE22 GLN A 26 33.340 9.669 -17.936 1.00 0.00 H new ATOM 396 N MET A 27 39.206 11.708 -22.315 1.00 0.00 N ATOM 397 CA MET A 27 39.687 12.265 -23.575 1.00 0.00 C ATOM 398 C MET A 27 39.139 11.476 -24.761 1.00 0.00 C ATOM 399 O MET A 27 39.343 10.267 -24.861 1.00 0.00 O ATOM 400 CB MET A 27 41.217 12.252 -23.607 1.00 0.00 C ATOM 401 CG MET A 27 41.833 13.636 -23.711 1.00 0.00 C ATOM 402 SD MET A 27 43.490 13.609 -24.423 1.00 0.00 S ATOM 403 CE MET A 27 44.401 14.539 -23.194 1.00 0.00 C ATOM 0 H MET A 27 39.259 10.691 -22.256 1.00 0.00 H new ATOM 0 HA MET A 27 39.334 13.294 -23.649 1.00 0.00 H new ATOM 0 HB2 MET A 27 41.587 11.765 -22.705 1.00 0.00 H new ATOM 0 HB3 MET A 27 41.550 11.651 -24.453 1.00 0.00 H new ATOM 0 HG2 MET A 27 41.190 14.270 -24.321 1.00 0.00 H new ATOM 0 HG3 MET A 27 41.876 14.086 -22.719 1.00 0.00 H new ATOM 0 HE1 MET A 27 45.447 14.610 -23.493 1.00 0.00 H new ATOM 0 HE2 MET A 27 43.979 15.541 -23.109 1.00 0.00 H new ATOM 0 HE3 MET A 27 44.332 14.034 -22.231 1.00 0.00 H new ATOM 413 N LEU A 28 38.449 12.169 -25.662 1.00 0.00 N ATOM 414 CA LEU A 28 37.882 11.528 -26.845 1.00 0.00 C ATOM 415 C LEU A 28 38.786 11.738 -28.051 1.00 0.00 C ATOM 416 O LEU A 28 39.094 12.873 -28.409 1.00 0.00 O ATOM 417 CB LEU A 28 36.490 12.081 -27.146 1.00 0.00 C ATOM 418 CG LEU A 28 35.816 11.471 -28.374 1.00 0.00 C ATOM 419 CD1 LEU A 28 34.606 10.650 -27.967 1.00 0.00 C ATOM 420 CD2 LEU A 28 35.414 12.556 -29.360 1.00 0.00 C ATOM 0 H LEU A 28 38.269 13.171 -25.597 1.00 0.00 H new ATOM 0 HA LEU A 28 37.801 10.460 -26.641 1.00 0.00 H new ATOM 0 HB2 LEU A 28 35.852 11.916 -26.278 1.00 0.00 H new ATOM 0 HB3 LEU A 28 36.564 13.159 -27.286 1.00 0.00 H new ATOM 0 HG LEU A 28 36.532 10.811 -28.863 1.00 0.00 H new ATOM 0 HD11 LEU A 28 34.140 10.224 -28.855 1.00 0.00 H new ATOM 0 HD12 LEU A 28 34.919 9.846 -27.301 1.00 0.00 H new ATOM 0 HD13 LEU A 28 33.889 11.289 -27.452 1.00 0.00 H new ATOM 0 HD21 LEU A 28 34.936 12.101 -30.227 1.00 0.00 H new ATOM 0 HD22 LEU A 28 34.717 13.243 -28.881 1.00 0.00 H new ATOM 0 HD23 LEU A 28 36.301 13.103 -29.680 1.00 0.00 H new ATOM 432 N CYS A 29 39.211 10.643 -28.670 1.00 0.00 N ATOM 433 CA CYS A 29 40.088 10.720 -29.832 1.00 0.00 C ATOM 434 C CYS A 29 39.368 10.273 -31.102 1.00 0.00 C ATOM 435 O CYS A 29 38.634 9.287 -31.098 1.00 0.00 O ATOM 436 CB CYS A 29 41.332 9.856 -29.612 1.00 0.00 C ATOM 437 SG CYS A 29 42.759 10.753 -28.916 1.00 0.00 S ATOM 0 H CYS A 29 38.964 9.694 -28.388 1.00 0.00 H new ATOM 0 HA CYS A 29 40.386 11.761 -29.957 1.00 0.00 H new ATOM 0 HB2 CYS A 29 41.075 9.034 -28.945 1.00 0.00 H new ATOM 0 HB3 CYS A 29 41.625 9.414 -30.564 1.00 0.00 H new ATOM 442 N THR A 30 39.595 11.005 -32.188 1.00 0.00 N ATOM 443 CA THR A 30 38.979 10.681 -33.472 1.00 0.00 C ATOM 444 C THR A 30 39.957 10.896 -34.617 1.00 0.00 C ATOM 445 O THR A 30 40.792 11.798 -34.574 1.00 0.00 O ATOM 446 CB THR A 30 37.722 11.531 -33.743 1.00 0.00 C ATOM 447 OG1 THR A 30 36.771 11.356 -32.686 1.00 0.00 O ATOM 448 CG2 THR A 30 37.090 11.147 -35.078 1.00 0.00 C ATOM 0 H THR A 30 40.200 11.826 -32.206 1.00 0.00 H new ATOM 0 HA THR A 30 38.693 9.631 -33.415 1.00 0.00 H new ATOM 0 HB THR A 30 38.019 12.579 -33.787 1.00 0.00 H new ATOM 0 HG1 THR A 30 36.052 12.015 -32.781 1.00 0.00 H new ATOM 0 HG21 THR A 30 36.204 11.758 -35.250 1.00 0.00 H new ATOM 0 HG22 THR A 30 37.808 11.313 -35.881 1.00 0.00 H new ATOM 0 HG23 THR A 30 36.806 10.095 -35.057 1.00 0.00 H new ATOM 456 N CYS A 31 39.836 10.069 -35.646 1.00 0.00 N ATOM 457 CA CYS A 31 40.700 10.177 -36.812 1.00 0.00 C ATOM 458 C CYS A 31 39.883 10.561 -38.038 1.00 0.00 C ATOM 459 O CYS A 31 39.130 9.750 -38.577 1.00 0.00 O ATOM 460 CB CYS A 31 41.441 8.864 -37.055 1.00 0.00 C ATOM 461 SG CYS A 31 40.359 7.419 -37.266 1.00 0.00 S ATOM 0 H CYS A 31 39.149 9.317 -35.697 1.00 0.00 H new ATOM 0 HA CYS A 31 41.438 10.957 -36.625 1.00 0.00 H new ATOM 0 HB2 CYS A 31 42.062 8.971 -37.944 1.00 0.00 H new ATOM 0 HB3 CYS A 31 42.113 8.680 -36.217 1.00 0.00 H new ATOM 466 N LEU A 32 40.027 11.810 -38.464 1.00 0.00 N ATOM 467 CA LEU A 32 39.291 12.312 -39.618 1.00 0.00 C ATOM 468 C LEU A 32 39.940 11.860 -40.924 1.00 0.00 C ATOM 469 O LEU A 32 39.661 10.767 -41.418 1.00 0.00 O ATOM 470 CB LEU A 32 39.204 13.842 -39.577 1.00 0.00 C ATOM 471 CG LEU A 32 40.339 14.540 -38.823 1.00 0.00 C ATOM 472 CD1 LEU A 32 40.674 15.870 -39.475 1.00 0.00 C ATOM 473 CD2 LEU A 32 39.961 14.738 -37.362 1.00 0.00 C ATOM 0 H LEU A 32 40.646 12.493 -38.028 1.00 0.00 H new ATOM 0 HA LEU A 32 38.283 11.899 -39.575 1.00 0.00 H new ATOM 0 HB2 LEU A 32 39.185 14.216 -40.601 1.00 0.00 H new ATOM 0 HB3 LEU A 32 38.257 14.124 -39.117 1.00 0.00 H new ATOM 0 HG LEU A 32 41.225 13.907 -38.867 1.00 0.00 H new ATOM 0 HD11 LEU A 32 41.483 16.351 -38.925 1.00 0.00 H new ATOM 0 HD12 LEU A 32 40.986 15.702 -40.506 1.00 0.00 H new ATOM 0 HD13 LEU A 32 39.794 16.513 -39.463 1.00 0.00 H new ATOM 0 HD21 LEU A 32 40.778 15.235 -36.839 1.00 0.00 H new ATOM 0 HD22 LEU A 32 39.062 15.352 -37.299 1.00 0.00 H new ATOM 0 HD23 LEU A 32 39.772 13.769 -36.901 1.00 0.00 H new ATOM 485 N GLY A 33 40.804 12.703 -41.482 1.00 0.00 N ATOM 486 CA GLY A 33 41.467 12.361 -42.727 1.00 0.00 C ATOM 487 C GLY A 33 42.912 12.815 -42.767 1.00 0.00 C ATOM 488 O GLY A 33 43.791 12.074 -43.206 1.00 0.00 O ATOM 0 H GLY A 33 41.056 13.613 -41.096 1.00 0.00 H new ATOM 0 HA2 GLY A 33 41.426 11.281 -42.870 1.00 0.00 H new ATOM 0 HA3 GLY A 33 40.926 12.814 -43.558 1.00 0.00 H new ATOM 492 N ASN A 34 43.159 14.035 -42.306 1.00 0.00 N ATOM 493 CA ASN A 34 44.508 14.584 -42.291 1.00 0.00 C ATOM 494 C ASN A 34 45.317 13.998 -41.139 1.00 0.00 C ATOM 495 O ASN A 34 46.539 13.879 -41.223 1.00 0.00 O ATOM 496 CB ASN A 34 44.464 16.109 -42.179 1.00 0.00 C ATOM 497 CG ASN A 34 43.441 16.588 -41.169 1.00 0.00 C ATOM 498 OD1 ASN A 34 42.327 16.968 -41.530 1.00 0.00 O ATOM 499 ND2 ASN A 34 43.815 16.572 -39.896 1.00 0.00 N ATOM 0 H ASN A 34 42.443 14.662 -41.938 1.00 0.00 H new ATOM 0 HA ASN A 34 44.994 14.314 -43.229 1.00 0.00 H new ATOM 0 HB2 ASN A 34 45.450 16.478 -41.895 1.00 0.00 H new ATOM 0 HB3 ASN A 34 44.233 16.535 -43.155 1.00 0.00 H new ATOM 0 HD21 ASN A 34 43.169 16.883 -39.171 1.00 0.00 H new ATOM 0 HD22 ASN A 34 44.749 16.249 -39.643 1.00 0.00 H new ATOM 506 N GLY A 35 44.625 13.631 -40.065 1.00 0.00 N ATOM 507 CA GLY A 35 45.297 13.058 -38.913 1.00 0.00 C ATOM 508 C GLY A 35 44.327 12.514 -37.882 1.00 0.00 C ATOM 509 O GLY A 35 43.400 11.777 -38.220 1.00 0.00 O ATOM 0 H GLY A 35 43.613 13.720 -39.972 1.00 0.00 H new ATOM 0 HA2 GLY A 35 45.957 12.256 -39.244 1.00 0.00 H new ATOM 0 HA3 GLY A 35 45.926 13.818 -38.449 1.00 0.00 H new ATOM 513 N VAL A 36 44.541 12.877 -36.622 1.00 0.00 N ATOM 514 CA VAL A 36 43.682 12.423 -35.535 1.00 0.00 C ATOM 515 C VAL A 36 43.519 13.513 -34.478 1.00 0.00 C ATOM 516 O VAL A 36 44.494 13.952 -33.867 1.00 0.00 O ATOM 517 CB VAL A 36 44.241 11.141 -34.875 1.00 0.00 C ATOM 518 CG1 VAL A 36 43.631 10.921 -33.496 1.00 0.00 C ATOM 519 CG2 VAL A 36 43.996 9.935 -35.764 1.00 0.00 C ATOM 0 H VAL A 36 45.304 13.486 -36.328 1.00 0.00 H new ATOM 0 HA VAL A 36 42.707 12.196 -35.966 1.00 0.00 H new ATOM 0 HB VAL A 36 45.316 11.269 -34.750 1.00 0.00 H new ATOM 0 HG11 VAL A 36 44.043 10.012 -33.057 1.00 0.00 H new ATOM 0 HG12 VAL A 36 43.864 11.772 -32.855 1.00 0.00 H new ATOM 0 HG13 VAL A 36 42.549 10.821 -33.588 1.00 0.00 H new ATOM 0 HG21 VAL A 36 44.396 9.042 -35.284 1.00 0.00 H new ATOM 0 HG22 VAL A 36 42.925 9.812 -35.924 1.00 0.00 H new ATOM 0 HG23 VAL A 36 44.491 10.084 -36.724 1.00 0.00 H new ATOM 529 N SER A 37 42.279 13.946 -34.270 1.00 0.00 N ATOM 530 CA SER A 37 41.985 14.984 -33.287 1.00 0.00 C ATOM 531 C SER A 37 41.226 14.403 -32.098 1.00 0.00 C ATOM 532 O SER A 37 40.451 13.460 -32.247 1.00 0.00 O ATOM 533 CB SER A 37 41.169 16.107 -33.930 1.00 0.00 C ATOM 534 OG SER A 37 40.813 17.092 -32.976 1.00 0.00 O ATOM 0 H SER A 37 41.462 13.594 -34.769 1.00 0.00 H new ATOM 0 HA SER A 37 42.930 15.392 -32.929 1.00 0.00 H new ATOM 0 HB2 SER A 37 41.746 16.566 -34.733 1.00 0.00 H new ATOM 0 HB3 SER A 37 40.268 15.692 -34.382 1.00 0.00 H new ATOM 0 HG SER A 37 40.294 17.799 -33.414 1.00 0.00 H new ATOM 540 N CYS A 38 41.457 14.971 -30.918 1.00 0.00 N ATOM 541 CA CYS A 38 40.795 14.502 -29.708 1.00 0.00 C ATOM 542 C CYS A 38 40.337 15.672 -28.842 1.00 0.00 C ATOM 543 O CYS A 38 40.620 16.831 -29.145 1.00 0.00 O ATOM 544 CB CYS A 38 41.734 13.601 -28.904 1.00 0.00 C ATOM 545 SG CYS A 38 42.776 12.512 -29.927 1.00 0.00 S ATOM 0 H CYS A 38 42.095 15.754 -30.775 1.00 0.00 H new ATOM 0 HA CYS A 38 39.917 13.931 -30.008 1.00 0.00 H new ATOM 0 HB2 CYS A 38 42.378 14.226 -28.285 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.140 12.987 -28.227 1.00 0.00 H new ATOM 550 N GLN A 39 39.629 15.356 -27.762 1.00 0.00 N ATOM 551 CA GLN A 39 39.131 16.376 -26.846 1.00 0.00 C ATOM 552 C GLN A 39 39.615 16.108 -25.424 1.00 0.00 C ATOM 553 O GLN A 39 39.273 15.090 -24.823 1.00 0.00 O ATOM 554 CB GLN A 39 37.603 16.419 -26.881 1.00 0.00 C ATOM 555 CG GLN A 39 37.027 16.323 -28.284 1.00 0.00 C ATOM 556 CD GLN A 39 35.517 16.186 -28.289 1.00 0.00 C ATOM 557 OE1 GLN A 39 34.940 15.599 -29.205 1.00 0.00 O ATOM 558 NE2 GLN A 39 34.868 16.727 -27.265 1.00 0.00 N ATOM 0 H GLN A 39 39.387 14.400 -27.500 1.00 0.00 H new ATOM 0 HA GLN A 39 39.520 17.342 -27.167 1.00 0.00 H new ATOM 0 HB2 GLN A 39 37.210 15.600 -26.279 1.00 0.00 H new ATOM 0 HB3 GLN A 39 37.263 17.346 -26.419 1.00 0.00 H new ATOM 0 HG2 GLN A 39 37.309 17.211 -28.850 1.00 0.00 H new ATOM 0 HG3 GLN A 39 37.467 15.467 -28.795 1.00 0.00 H new ATOM 0 HE21 GLN A 39 35.386 17.204 -26.528 1.00 0.00 H new ATOM 0 HE22 GLN A 39 33.851 16.665 -27.216 1.00 0.00 H new ATOM 636 N GLN A 45 31.500 22.161 -18.962 1.00 0.00 N ATOM 637 CA GLN A 45 30.312 22.777 -18.380 1.00 0.00 C ATOM 638 C GLN A 45 29.416 23.365 -19.465 1.00 0.00 C ATOM 639 O GLN A 45 29.846 23.558 -20.602 1.00 0.00 O ATOM 640 CB GLN A 45 30.717 23.866 -17.387 1.00 0.00 C ATOM 641 CG GLN A 45 31.835 23.448 -16.447 1.00 0.00 C ATOM 642 CD GLN A 45 31.327 22.685 -15.240 1.00 0.00 C ATOM 643 OE1 GLN A 45 30.625 23.238 -14.392 1.00 0.00 O ATOM 644 NE2 GLN A 45 31.680 21.408 -15.155 1.00 0.00 N ATOM 0 HA GLN A 45 29.751 22.005 -17.854 1.00 0.00 H new ATOM 0 HB2 GLN A 45 31.031 24.751 -17.940 1.00 0.00 H new ATOM 0 HB3 GLN A 45 29.845 24.151 -16.797 1.00 0.00 H new ATOM 0 HG2 GLN A 45 32.549 22.828 -16.990 1.00 0.00 H new ATOM 0 HG3 GLN A 45 32.373 24.335 -16.112 1.00 0.00 H new ATOM 0 HE21 GLN A 45 32.263 20.991 -15.881 1.00 0.00 H new ATOM 0 HE22 GLN A 45 31.368 20.844 -14.364 1.00 0.00 H new ATOM 653 N THR A 46 28.169 23.649 -19.106 1.00 0.00 N ATOM 654 CA THR A 46 27.212 24.214 -20.051 1.00 0.00 C ATOM 655 C THR A 46 26.524 25.444 -19.470 1.00 0.00 C ATOM 656 O THR A 46 26.446 25.606 -18.252 1.00 0.00 O ATOM 657 CB THR A 46 26.141 23.182 -20.452 1.00 0.00 C ATOM 658 OG1 THR A 46 25.559 22.599 -19.280 1.00 0.00 O ATOM 659 CG2 THR A 46 26.744 22.090 -21.323 1.00 0.00 C ATOM 0 H THR A 46 27.797 23.498 -18.168 1.00 0.00 H new ATOM 0 HA THR A 46 27.778 24.503 -20.937 1.00 0.00 H new ATOM 0 HB THR A 46 25.367 23.695 -21.023 1.00 0.00 H new ATOM 0 HG1 THR A 46 24.878 21.945 -19.543 1.00 0.00 H new ATOM 0 HG21 THR A 46 25.970 21.372 -21.594 1.00 0.00 H new ATOM 0 HG22 THR A 46 27.160 22.534 -22.227 1.00 0.00 H new ATOM 0 HG23 THR A 46 27.534 21.580 -20.772 1.00 0.00 H new ATOM 667 N TYR A 47 26.030 26.310 -20.350 1.00 0.00 N ATOM 668 CA TYR A 47 25.350 27.529 -19.925 1.00 0.00 C ATOM 669 C TYR A 47 24.372 28.006 -20.995 1.00 0.00 C ATOM 670 O TYR A 47 24.663 27.941 -22.188 1.00 0.00 O ATOM 671 CB TYR A 47 26.372 28.629 -19.631 1.00 0.00 C ATOM 672 CG TYR A 47 27.333 28.881 -20.771 1.00 0.00 C ATOM 673 CD1 TYR A 47 26.950 29.633 -21.874 1.00 0.00 C ATOM 674 CD2 TYR A 47 28.622 28.364 -20.745 1.00 0.00 C ATOM 675 CE1 TYR A 47 27.825 29.864 -22.918 1.00 0.00 C ATOM 676 CE2 TYR A 47 29.503 28.590 -21.785 1.00 0.00 C ATOM 677 CZ TYR A 47 29.099 29.341 -22.870 1.00 0.00 C ATOM 678 OH TYR A 47 29.973 29.569 -23.908 1.00 0.00 O ATOM 0 H TYR A 47 26.088 26.190 -21.361 1.00 0.00 H new ATOM 0 HA TYR A 47 24.790 27.306 -19.017 1.00 0.00 H new ATOM 0 HB2 TYR A 47 25.843 29.554 -19.402 1.00 0.00 H new ATOM 0 HB3 TYR A 47 26.940 28.358 -18.741 1.00 0.00 H new ATOM 0 HD1 TYR A 47 25.952 30.044 -21.916 1.00 0.00 H new ATOM 0 HD2 TYR A 47 28.941 27.775 -19.897 1.00 0.00 H new ATOM 0 HE1 TYR A 47 27.512 30.452 -23.768 1.00 0.00 H new ATOM 0 HE2 TYR A 47 30.502 28.181 -21.749 1.00 0.00 H new ATOM 0 HH TYR A 47 30.829 29.132 -23.717 1.00 0.00 H new ATOM 688 N GLY A 48 23.214 28.487 -20.557 1.00 0.00 N ATOM 689 CA GLY A 48 22.213 28.971 -21.488 1.00 0.00 C ATOM 690 C GLY A 48 21.968 28.006 -22.630 1.00 0.00 C ATOM 691 O GLY A 48 21.459 26.904 -22.423 1.00 0.00 O ATOM 0 H GLY A 48 22.951 28.550 -19.574 1.00 0.00 H new ATOM 0 HA2 GLY A 48 21.278 29.142 -20.955 1.00 0.00 H new ATOM 0 HA3 GLY A 48 22.531 29.933 -21.891 1.00 0.00 H new ATOM 695 N GLY A 49 22.330 28.422 -23.840 1.00 0.00 N ATOM 696 CA GLY A 49 22.137 27.576 -25.003 1.00 0.00 C ATOM 697 C GLY A 49 20.674 27.411 -25.361 1.00 0.00 C ATOM 698 O GLY A 49 19.979 28.393 -25.625 1.00 0.00 O ATOM 0 H GLY A 49 22.753 29.329 -24.035 1.00 0.00 H new ATOM 0 HA2 GLY A 49 22.670 28.003 -25.852 1.00 0.00 H new ATOM 0 HA3 GLY A 49 22.574 26.596 -24.813 1.00 0.00 H new ATOM 702 N ASN A 50 20.205 26.169 -25.369 1.00 0.00 N ATOM 703 CA ASN A 50 18.813 25.881 -25.695 1.00 0.00 C ATOM 704 C ASN A 50 18.115 25.183 -24.533 1.00 0.00 C ATOM 705 O ASN A 50 16.891 25.043 -24.524 1.00 0.00 O ATOM 706 CB ASN A 50 18.733 25.011 -26.951 1.00 0.00 C ATOM 707 CG ASN A 50 17.581 25.404 -27.854 1.00 0.00 C ATOM 708 OD1 ASN A 50 17.785 25.800 -29.003 1.00 0.00 O ATOM 709 ND2 ASN A 50 16.362 25.299 -27.338 1.00 0.00 N ATOM 0 H ASN A 50 20.767 25.346 -25.154 1.00 0.00 H new ATOM 0 HA ASN A 50 18.306 26.827 -25.883 1.00 0.00 H new ATOM 0 HB2 ASN A 50 19.668 25.090 -27.505 1.00 0.00 H new ATOM 0 HB3 ASN A 50 18.623 23.966 -26.660 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.548 25.551 -27.898 1.00 0.00 H new ATOM 0 HD22 ASN A 50 16.240 24.966 -26.382 1.00 0.00 H new ATOM 716 N SER A 51 18.900 24.744 -23.553 1.00 0.00 N ATOM 717 CA SER A 51 18.354 24.060 -22.387 1.00 0.00 C ATOM 718 C SER A 51 18.823 24.721 -21.094 1.00 0.00 C ATOM 719 O SER A 51 18.759 24.123 -20.020 1.00 0.00 O ATOM 720 CB SER A 51 18.766 22.586 -22.396 1.00 0.00 C ATOM 721 OG SER A 51 18.439 21.957 -21.169 1.00 0.00 O ATOM 0 H SER A 51 19.914 24.850 -23.544 1.00 0.00 H new ATOM 0 HA SER A 51 17.267 24.129 -22.435 1.00 0.00 H new ATOM 0 HB2 SER A 51 18.267 22.071 -23.217 1.00 0.00 H new ATOM 0 HB3 SER A 51 19.838 22.506 -22.575 1.00 0.00 H new ATOM 0 HG SER A 51 18.480 22.614 -20.443 1.00 0.00 H new ATOM 727 N ASN A 52 19.296 25.958 -21.205 1.00 0.00 N ATOM 728 CA ASN A 52 19.776 26.700 -20.045 1.00 0.00 C ATOM 729 C ASN A 52 20.981 26.006 -19.418 1.00 0.00 C ATOM 730 O ASN A 52 21.399 26.345 -18.311 1.00 0.00 O ATOM 731 CB ASN A 52 18.660 26.845 -19.008 1.00 0.00 C ATOM 732 CG ASN A 52 19.145 27.478 -17.720 1.00 0.00 C ATOM 733 OD1 ASN A 52 18.643 27.175 -16.637 1.00 0.00 O ATOM 734 ND2 ASN A 52 20.129 28.363 -17.829 1.00 0.00 N ATOM 0 H ASN A 52 19.357 26.468 -22.086 1.00 0.00 H new ATOM 0 HA ASN A 52 20.082 27.691 -20.379 1.00 0.00 H new ATOM 0 HB2 ASN A 52 17.856 27.450 -19.426 1.00 0.00 H new ATOM 0 HB3 ASN A 52 18.240 25.863 -18.791 1.00 0.00 H new ATOM 0 HD21 ASN A 52 20.498 28.821 -16.995 1.00 0.00 H new ATOM 0 HD22 ASN A 52 20.516 28.585 -18.746 1.00 0.00 H new ATOM 741 N GLY A 53 21.536 25.034 -20.134 1.00 0.00 N ATOM 742 CA GLY A 53 22.688 24.309 -19.631 1.00 0.00 C ATOM 743 C GLY A 53 22.301 23.145 -18.741 1.00 0.00 C ATOM 744 O GLY A 53 22.049 23.323 -17.549 1.00 0.00 O ATOM 0 H GLY A 53 21.209 24.735 -21.053 1.00 0.00 H new ATOM 0 HA2 GLY A 53 23.275 23.939 -20.472 1.00 0.00 H new ATOM 0 HA3 GLY A 53 23.327 24.992 -19.072 1.00 0.00 H new ATOM 748 N GLU A 54 22.256 21.948 -19.318 1.00 0.00 N ATOM 749 CA GLU A 54 21.899 20.751 -18.566 1.00 0.00 C ATOM 750 C GLU A 54 22.760 19.565 -18.993 1.00 0.00 C ATOM 751 O GLU A 54 23.479 19.633 -19.989 1.00 0.00 O ATOM 752 CB GLU A 54 20.410 20.428 -18.752 1.00 0.00 C ATOM 753 CG GLU A 54 20.124 19.411 -19.849 1.00 0.00 C ATOM 754 CD GLU A 54 18.686 18.930 -19.837 1.00 0.00 C ATOM 755 OE1 GLU A 54 18.322 18.169 -18.917 1.00 0.00 O ATOM 756 OE2 GLU A 54 17.924 19.316 -20.748 1.00 0.00 O ATOM 0 H GLU A 54 22.462 21.782 -20.303 1.00 0.00 H new ATOM 0 HA GLU A 54 22.085 20.943 -17.509 1.00 0.00 H new ATOM 0 HB2 GLU A 54 20.011 20.052 -17.810 1.00 0.00 H new ATOM 0 HB3 GLU A 54 19.875 21.350 -18.979 1.00 0.00 H new ATOM 0 HG2 GLU A 54 20.346 19.856 -20.819 1.00 0.00 H new ATOM 0 HG3 GLU A 54 20.790 18.557 -19.730 1.00 0.00 H new ATOM 763 N PRO A 55 22.694 18.460 -18.237 1.00 0.00 N ATOM 764 CA PRO A 55 23.467 17.250 -18.532 1.00 0.00 C ATOM 765 C PRO A 55 23.199 16.721 -19.937 1.00 0.00 C ATOM 766 O PRO A 55 22.192 16.055 -20.177 1.00 0.00 O ATOM 767 CB PRO A 55 22.981 16.245 -17.482 1.00 0.00 C ATOM 768 CG PRO A 55 22.422 17.078 -16.380 1.00 0.00 C ATOM 769 CD PRO A 55 21.859 18.307 -17.034 1.00 0.00 C ATOM 0 HA PRO A 55 24.540 17.436 -18.495 1.00 0.00 H new ATOM 0 HB2 PRO A 55 22.225 15.578 -17.895 1.00 0.00 H new ATOM 0 HB3 PRO A 55 23.799 15.618 -17.127 1.00 0.00 H new ATOM 0 HG2 PRO A 55 21.648 16.537 -15.836 1.00 0.00 H new ATOM 0 HG3 PRO A 55 23.196 17.340 -15.658 1.00 0.00 H new ATOM 0 HD2 PRO A 55 20.806 18.182 -17.288 1.00 0.00 H new ATOM 0 HD3 PRO A 55 21.928 19.178 -16.382 1.00 0.00 H new ATOM 777 N CYS A 56 24.106 17.020 -20.862 1.00 0.00 N ATOM 778 CA CYS A 56 23.964 16.571 -22.242 1.00 0.00 C ATOM 779 C CYS A 56 23.495 15.120 -22.296 1.00 0.00 C ATOM 780 O CYS A 56 23.462 14.431 -21.277 1.00 0.00 O ATOM 781 CB CYS A 56 25.291 16.724 -22.991 1.00 0.00 C ATOM 782 SG CYS A 56 26.098 18.341 -22.754 1.00 0.00 S ATOM 0 H CYS A 56 24.946 17.570 -20.681 1.00 0.00 H new ATOM 0 HA CYS A 56 23.211 17.194 -22.726 1.00 0.00 H new ATOM 0 HB2 CYS A 56 25.973 15.939 -22.665 1.00 0.00 H new ATOM 0 HB3 CYS A 56 25.115 16.571 -24.056 1.00 0.00 H new ATOM 787 N VAL A 57 23.128 14.664 -23.490 1.00 0.00 N ATOM 788 CA VAL A 57 22.656 13.297 -23.673 1.00 0.00 C ATOM 789 C VAL A 57 23.432 12.585 -24.777 1.00 0.00 C ATOM 790 O VAL A 57 22.878 12.256 -25.826 1.00 0.00 O ATOM 791 CB VAL A 57 21.156 13.264 -24.016 1.00 0.00 C ATOM 792 CG1 VAL A 57 20.905 13.883 -25.383 1.00 0.00 C ATOM 793 CG2 VAL A 57 20.629 11.837 -23.965 1.00 0.00 C ATOM 0 H VAL A 57 23.149 15.221 -24.344 1.00 0.00 H new ATOM 0 HA VAL A 57 22.820 12.779 -22.728 1.00 0.00 H new ATOM 0 HB VAL A 57 20.619 13.854 -23.273 1.00 0.00 H new ATOM 0 HG11 VAL A 57 19.839 13.850 -25.607 1.00 0.00 H new ATOM 0 HG12 VAL A 57 21.244 14.919 -25.381 1.00 0.00 H new ATOM 0 HG13 VAL A 57 21.453 13.324 -26.142 1.00 0.00 H new ATOM 0 HG21 VAL A 57 19.567 11.832 -24.210 1.00 0.00 H new ATOM 0 HG22 VAL A 57 21.170 11.223 -24.685 1.00 0.00 H new ATOM 0 HG23 VAL A 57 20.772 11.432 -22.963 1.00 0.00 H new ATOM 803 N LEU A 58 24.715 12.347 -24.531 1.00 0.00 N ATOM 804 CA LEU A 58 25.566 11.669 -25.504 1.00 0.00 C ATOM 805 C LEU A 58 25.914 10.262 -25.028 1.00 0.00 C ATOM 806 O LEU A 58 25.673 9.911 -23.873 1.00 0.00 O ATOM 807 CB LEU A 58 26.849 12.469 -25.752 1.00 0.00 C ATOM 808 CG LEU A 58 27.216 13.484 -24.667 1.00 0.00 C ATOM 809 CD1 LEU A 58 26.157 14.570 -24.567 1.00 0.00 C ATOM 810 CD2 LEU A 58 27.402 12.789 -23.326 1.00 0.00 C ATOM 0 H LEU A 58 25.189 12.613 -23.668 1.00 0.00 H new ATOM 0 HA LEU A 58 25.013 11.595 -26.440 1.00 0.00 H new ATOM 0 HB2 LEU A 58 27.677 11.769 -25.864 1.00 0.00 H new ATOM 0 HB3 LEU A 58 26.749 12.998 -26.700 1.00 0.00 H new ATOM 0 HG LEU A 58 28.160 13.954 -24.943 1.00 0.00 H new ATOM 0 HD11 LEU A 58 26.437 15.281 -23.790 1.00 0.00 H new ATOM 0 HD12 LEU A 58 26.077 15.089 -25.522 1.00 0.00 H new ATOM 0 HD13 LEU A 58 25.196 14.120 -24.317 1.00 0.00 H new ATOM 0 HD21 LEU A 58 27.663 13.527 -22.567 1.00 0.00 H new ATOM 0 HD22 LEU A 58 26.475 12.289 -23.044 1.00 0.00 H new ATOM 0 HD23 LEU A 58 28.202 12.052 -23.406 1.00 0.00 H new ATOM 822 N PRO A 59 26.486 9.434 -25.916 1.00 0.00 N ATOM 823 CA PRO A 59 26.787 9.823 -27.300 1.00 0.00 C ATOM 824 C PRO A 59 25.536 10.085 -28.131 1.00 0.00 C ATOM 825 O PRO A 59 24.687 9.206 -28.277 1.00 0.00 O ATOM 826 CB PRO A 59 27.525 8.604 -27.862 1.00 0.00 C ATOM 827 CG PRO A 59 27.088 7.467 -27.007 1.00 0.00 C ATOM 828 CD PRO A 59 26.892 8.046 -25.637 1.00 0.00 C ATOM 0 HA PRO A 59 27.356 10.752 -27.332 1.00 0.00 H new ATOM 0 HB2 PRO A 59 27.269 8.434 -28.908 1.00 0.00 H new ATOM 0 HB3 PRO A 59 28.605 8.740 -27.817 1.00 0.00 H new ATOM 0 HG2 PRO A 59 26.164 7.026 -27.382 1.00 0.00 H new ATOM 0 HG3 PRO A 59 27.837 6.675 -26.995 1.00 0.00 H new ATOM 0 HD2 PRO A 59 26.128 7.507 -25.077 1.00 0.00 H new ATOM 0 HD3 PRO A 59 27.808 8.005 -25.047 1.00 0.00 H new ATOM 836 N PHE A 60 25.437 11.284 -28.698 1.00 0.00 N ATOM 837 CA PHE A 60 24.297 11.623 -29.537 1.00 0.00 C ATOM 838 C PHE A 60 24.699 11.535 -31.003 1.00 0.00 C ATOM 839 O PHE A 60 25.838 11.191 -31.319 1.00 0.00 O ATOM 840 CB PHE A 60 23.775 13.025 -29.218 1.00 0.00 C ATOM 841 CG PHE A 60 24.830 14.086 -29.300 1.00 0.00 C ATOM 842 CD1 PHE A 60 25.318 14.502 -30.526 1.00 0.00 C ATOM 843 CD2 PHE A 60 25.337 14.664 -28.149 1.00 0.00 C ATOM 844 CE1 PHE A 60 26.293 15.476 -30.605 1.00 0.00 C ATOM 845 CE2 PHE A 60 26.311 15.640 -28.220 1.00 0.00 C ATOM 846 CZ PHE A 60 26.790 16.046 -29.450 1.00 0.00 C ATOM 0 H PHE A 60 26.126 12.029 -28.592 1.00 0.00 H new ATOM 0 HA PHE A 60 23.495 10.912 -29.335 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.969 13.270 -29.909 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.347 13.026 -28.216 1.00 0.00 H new ATOM 0 HD1 PHE A 60 24.931 14.059 -31.432 1.00 0.00 H new ATOM 0 HD2 PHE A 60 24.967 14.348 -27.185 1.00 0.00 H new ATOM 0 HE1 PHE A 60 26.666 15.791 -31.568 1.00 0.00 H new ATOM 0 HE2 PHE A 60 26.698 16.085 -27.315 1.00 0.00 H new ATOM 0 HZ PHE A 60 27.553 16.809 -29.508 1.00 0.00 H new ATOM 856 N THR A 61 23.771 11.846 -31.893 1.00 0.00 N ATOM 857 CA THR A 61 24.053 11.795 -33.320 1.00 0.00 C ATOM 858 C THR A 61 23.748 13.128 -33.986 1.00 0.00 C ATOM 859 O THR A 61 22.690 13.717 -33.770 1.00 0.00 O ATOM 860 CB THR A 61 23.244 10.685 -34.019 1.00 0.00 C ATOM 861 OG1 THR A 61 22.523 9.919 -33.046 1.00 0.00 O ATOM 862 CG2 THR A 61 24.158 9.769 -34.820 1.00 0.00 C ATOM 0 H THR A 61 22.822 12.135 -31.656 1.00 0.00 H new ATOM 0 HA THR A 61 25.115 11.574 -33.423 1.00 0.00 H new ATOM 0 HB THR A 61 22.540 11.156 -34.705 1.00 0.00 H new ATOM 0 HG1 THR A 61 22.010 9.217 -33.497 1.00 0.00 H new ATOM 0 HG21 THR A 61 23.563 8.994 -35.304 1.00 0.00 H new ATOM 0 HG22 THR A 61 24.682 10.351 -35.578 1.00 0.00 H new ATOM 0 HG23 THR A 61 24.884 9.305 -34.152 1.00 0.00 H new ATOM 870 N TYR A 62 24.687 13.597 -34.794 1.00 0.00 N ATOM 871 CA TYR A 62 24.528 14.861 -35.494 1.00 0.00 C ATOM 872 C TYR A 62 25.179 14.800 -36.871 1.00 0.00 C ATOM 873 O TYR A 62 26.364 14.490 -36.993 1.00 0.00 O ATOM 874 CB TYR A 62 25.142 15.993 -34.676 1.00 0.00 C ATOM 875 CG TYR A 62 24.817 17.365 -35.211 1.00 0.00 C ATOM 876 CD1 TYR A 62 23.666 18.030 -34.816 1.00 0.00 C ATOM 877 CD2 TYR A 62 25.668 17.997 -36.103 1.00 0.00 C ATOM 878 CE1 TYR A 62 23.371 19.290 -35.300 1.00 0.00 C ATOM 879 CE2 TYR A 62 25.386 19.256 -36.590 1.00 0.00 C ATOM 880 CZ TYR A 62 24.235 19.900 -36.185 1.00 0.00 C ATOM 881 OH TYR A 62 23.944 21.155 -36.669 1.00 0.00 O ATOM 0 H TYR A 62 25.569 13.119 -34.981 1.00 0.00 H new ATOM 0 HA TYR A 62 23.463 15.051 -35.624 1.00 0.00 H new ATOM 0 HB2 TYR A 62 24.790 15.920 -33.647 1.00 0.00 H new ATOM 0 HB3 TYR A 62 26.225 15.868 -34.652 1.00 0.00 H new ATOM 0 HD1 TYR A 62 22.990 17.556 -34.120 1.00 0.00 H new ATOM 0 HD2 TYR A 62 26.569 17.494 -36.423 1.00 0.00 H new ATOM 0 HE1 TYR A 62 22.469 19.794 -34.987 1.00 0.00 H new ATOM 0 HE2 TYR A 62 26.061 19.735 -37.284 1.00 0.00 H new ATOM 0 HH TYR A 62 23.428 21.652 -36.000 1.00 0.00 H new ATOM 891 N ASN A 63 24.396 15.089 -37.902 1.00 0.00 N ATOM 892 CA ASN A 63 24.892 15.063 -39.274 1.00 0.00 C ATOM 893 C ASN A 63 25.209 13.637 -39.718 1.00 0.00 C ATOM 894 O ASN A 63 25.725 13.419 -40.813 1.00 0.00 O ATOM 895 CB ASN A 63 26.137 15.943 -39.410 1.00 0.00 C ATOM 896 CG ASN A 63 25.813 17.419 -39.320 1.00 0.00 C ATOM 897 OD1 ASN A 63 24.654 17.820 -39.424 1.00 0.00 O ATOM 898 ND2 ASN A 63 26.840 18.236 -39.124 1.00 0.00 N ATOM 0 H ASN A 63 23.412 15.345 -37.815 1.00 0.00 H new ATOM 0 HA ASN A 63 24.107 15.456 -39.920 1.00 0.00 H new ATOM 0 HB2 ASN A 63 26.850 15.682 -38.628 1.00 0.00 H new ATOM 0 HB3 ASN A 63 26.621 15.738 -40.365 1.00 0.00 H new ATOM 0 HD21 ASN A 63 26.685 19.242 -39.054 1.00 0.00 H new ATOM 0 HD22 ASN A 63 27.784 17.858 -39.044 1.00 0.00 H new ATOM 905 N GLY A 64 24.890 12.667 -38.864 1.00 0.00 N ATOM 906 CA GLY A 64 25.144 11.276 -39.197 1.00 0.00 C ATOM 907 C GLY A 64 26.249 10.659 -38.362 1.00 0.00 C ATOM 908 O GLY A 64 26.461 9.447 -38.405 1.00 0.00 O ATOM 0 H GLY A 64 24.462 12.819 -37.951 1.00 0.00 H new ATOM 0 HA2 GLY A 64 24.228 10.702 -39.059 1.00 0.00 H new ATOM 0 HA3 GLY A 64 25.409 11.203 -40.252 1.00 0.00 H new ATOM 912 N ARG A 65 26.958 11.486 -37.600 1.00 0.00 N ATOM 913 CA ARG A 65 28.044 10.996 -36.757 1.00 0.00 C ATOM 914 C ARG A 65 27.611 10.937 -35.296 1.00 0.00 C ATOM 915 O ARG A 65 26.420 10.970 -34.991 1.00 0.00 O ATOM 916 CB ARG A 65 29.280 11.883 -36.904 1.00 0.00 C ATOM 917 CG ARG A 65 29.097 13.283 -36.347 1.00 0.00 C ATOM 918 CD ARG A 65 29.362 14.342 -37.405 1.00 0.00 C ATOM 919 NE ARG A 65 30.633 15.027 -37.187 1.00 0.00 N ATOM 920 CZ ARG A 65 30.958 16.175 -37.771 1.00 0.00 C ATOM 921 NH1 ARG A 65 30.113 16.757 -38.611 1.00 0.00 N ATOM 922 NH2 ARG A 65 32.129 16.743 -37.518 1.00 0.00 N ATOM 0 H ARG A 65 26.802 12.493 -37.548 1.00 0.00 H new ATOM 0 HA ARG A 65 28.296 9.987 -37.084 1.00 0.00 H new ATOM 0 HB2 ARG A 65 30.120 11.407 -36.398 1.00 0.00 H new ATOM 0 HB3 ARG A 65 29.542 11.953 -37.960 1.00 0.00 H new ATOM 0 HG2 ARG A 65 28.082 13.394 -35.965 1.00 0.00 H new ATOM 0 HG3 ARG A 65 29.772 13.432 -35.504 1.00 0.00 H new ATOM 0 HD2 ARG A 65 29.365 13.877 -38.391 1.00 0.00 H new ATOM 0 HD3 ARG A 65 28.552 15.071 -37.399 1.00 0.00 H new ATOM 0 HE ARG A 65 31.308 14.601 -36.552 1.00 0.00 H new ATOM 0 HH11 ARG A 65 29.211 16.323 -38.810 1.00 0.00 H new ATOM 0 HH12 ARG A 65 30.365 17.638 -39.058 1.00 0.00 H new ATOM 0 HH21 ARG A 65 32.783 16.298 -36.874 1.00 0.00 H new ATOM 0 HH22 ARG A 65 32.376 17.625 -37.968 1.00 0.00 H new ATOM 936 N THR A 66 28.584 10.846 -34.394 1.00 0.00 N ATOM 937 CA THR A 66 28.293 10.777 -32.967 1.00 0.00 C ATOM 938 C THR A 66 29.319 11.556 -32.149 1.00 0.00 C ATOM 939 O THR A 66 30.482 11.668 -32.538 1.00 0.00 O ATOM 940 CB THR A 66 28.256 9.318 -32.472 1.00 0.00 C ATOM 941 OG1 THR A 66 27.395 8.537 -33.309 1.00 0.00 O ATOM 942 CG2 THR A 66 27.771 9.244 -31.031 1.00 0.00 C ATOM 0 H THR A 66 29.577 10.818 -34.625 1.00 0.00 H new ATOM 0 HA THR A 66 27.311 11.228 -32.826 1.00 0.00 H new ATOM 0 HB THR A 66 29.269 8.919 -32.519 1.00 0.00 H new ATOM 0 HG1 THR A 66 27.379 7.611 -32.988 1.00 0.00 H new ATOM 0 HG21 THR A 66 27.754 8.204 -30.706 1.00 0.00 H new ATOM 0 HG22 THR A 66 28.445 9.813 -30.391 1.00 0.00 H new ATOM 0 HG23 THR A 66 26.766 9.662 -30.963 1.00 0.00 H new ATOM 950 N PHE A 67 28.878 12.092 -31.016 1.00 0.00 N ATOM 951 CA PHE A 67 29.752 12.864 -30.139 1.00 0.00 C ATOM 952 C PHE A 67 29.513 12.496 -28.674 1.00 0.00 C ATOM 953 O PHE A 67 28.374 12.292 -28.259 1.00 0.00 O ATOM 954 CB PHE A 67 29.516 14.357 -30.354 1.00 0.00 C ATOM 955 CG PHE A 67 29.476 14.749 -31.803 1.00 0.00 C ATOM 956 CD1 PHE A 67 28.395 14.403 -32.605 1.00 0.00 C ATOM 957 CD2 PHE A 67 30.521 15.464 -32.363 1.00 0.00 C ATOM 958 CE1 PHE A 67 28.365 14.764 -33.939 1.00 0.00 C ATOM 959 CE2 PHE A 67 30.493 15.827 -33.696 1.00 0.00 C ATOM 960 CZ PHE A 67 29.415 15.476 -34.483 1.00 0.00 C ATOM 0 H PHE A 67 27.918 12.006 -30.682 1.00 0.00 H new ATOM 0 HA PHE A 67 30.787 12.627 -30.385 1.00 0.00 H new ATOM 0 HB2 PHE A 67 28.575 14.641 -29.882 1.00 0.00 H new ATOM 0 HB3 PHE A 67 30.306 14.918 -29.854 1.00 0.00 H new ATOM 0 HD1 PHE A 67 27.571 13.847 -32.182 1.00 0.00 H new ATOM 0 HD2 PHE A 67 31.367 15.741 -31.752 1.00 0.00 H new ATOM 0 HE1 PHE A 67 27.521 14.489 -34.555 1.00 0.00 H new ATOM 0 HE2 PHE A 67 31.314 16.385 -34.122 1.00 0.00 H new ATOM 0 HZ PHE A 67 29.393 15.759 -35.525 1.00 0.00 H new ATOM 970 N TYR A 68 30.593 12.406 -27.901 1.00 0.00 N ATOM 971 CA TYR A 68 30.497 12.050 -26.487 1.00 0.00 C ATOM 972 C TYR A 68 30.291 13.277 -25.604 1.00 0.00 C ATOM 973 O TYR A 68 30.178 13.157 -24.384 1.00 0.00 O ATOM 974 CB TYR A 68 31.756 11.302 -26.043 1.00 0.00 C ATOM 975 CG TYR A 68 31.835 9.888 -26.568 1.00 0.00 C ATOM 976 CD1 TYR A 68 30.791 9.344 -27.299 1.00 0.00 C ATOM 977 CD2 TYR A 68 32.956 9.102 -26.339 1.00 0.00 C ATOM 978 CE1 TYR A 68 30.856 8.054 -27.787 1.00 0.00 C ATOM 979 CE2 TYR A 68 33.032 7.811 -26.823 1.00 0.00 C ATOM 980 CZ TYR A 68 31.979 7.290 -27.547 1.00 0.00 C ATOM 981 OH TYR A 68 32.050 6.005 -28.033 1.00 0.00 O ATOM 0 H TYR A 68 31.544 12.574 -28.229 1.00 0.00 H new ATOM 0 HA TYR A 68 29.626 11.404 -26.373 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.634 11.855 -26.378 1.00 0.00 H new ATOM 0 HB3 TYR A 68 31.790 11.279 -24.954 1.00 0.00 H new ATOM 0 HD1 TYR A 68 29.911 9.940 -27.490 1.00 0.00 H new ATOM 0 HD2 TYR A 68 33.782 9.507 -25.773 1.00 0.00 H new ATOM 0 HE1 TYR A 68 30.032 7.646 -28.353 1.00 0.00 H new ATOM 0 HE2 TYR A 68 33.911 7.212 -26.636 1.00 0.00 H new ATOM 0 HH TYR A 68 32.907 5.605 -27.777 1.00 0.00 H new ATOM 991 N SER A 69 30.244 14.453 -26.216 1.00 0.00 N ATOM 992 CA SER A 69 30.051 15.687 -25.462 1.00 0.00 C ATOM 993 C SER A 69 29.877 16.882 -26.391 1.00 0.00 C ATOM 994 O SER A 69 29.660 16.724 -27.592 1.00 0.00 O ATOM 995 CB SER A 69 31.236 15.926 -24.525 1.00 0.00 C ATOM 996 OG SER A 69 32.148 14.841 -24.566 1.00 0.00 O ATOM 0 H SER A 69 30.336 14.580 -27.224 1.00 0.00 H new ATOM 0 HA SER A 69 29.141 15.578 -24.872 1.00 0.00 H new ATOM 0 HB2 SER A 69 31.748 16.846 -24.809 1.00 0.00 H new ATOM 0 HB3 SER A 69 30.875 16.063 -23.506 1.00 0.00 H new ATOM 0 HG SER A 69 32.896 15.020 -23.959 1.00 0.00 H new ATOM 1002 N CYS A 70 29.975 18.080 -25.823 1.00 0.00 N ATOM 1003 CA CYS A 70 29.830 19.306 -26.592 1.00 0.00 C ATOM 1004 C CYS A 70 30.598 19.214 -27.905 1.00 0.00 C ATOM 1005 O CYS A 70 31.338 18.258 -28.138 1.00 0.00 O ATOM 1006 CB CYS A 70 30.327 20.504 -25.781 1.00 0.00 C ATOM 1007 SG CYS A 70 29.830 20.482 -24.028 1.00 0.00 S ATOM 0 H CYS A 70 30.155 18.225 -24.830 1.00 0.00 H new ATOM 0 HA CYS A 70 28.772 19.443 -26.817 1.00 0.00 H new ATOM 0 HB2 CYS A 70 31.415 20.540 -25.838 1.00 0.00 H new ATOM 0 HB3 CYS A 70 29.954 21.419 -26.241 1.00 0.00 H new ATOM 1012 N THR A 71 30.421 20.217 -28.756 1.00 0.00 N ATOM 1013 CA THR A 71 31.098 20.258 -30.045 1.00 0.00 C ATOM 1014 C THR A 71 30.632 21.455 -30.864 1.00 0.00 C ATOM 1015 O THR A 71 29.501 21.918 -30.717 1.00 0.00 O ATOM 1016 CB THR A 71 30.869 18.958 -30.849 1.00 0.00 C ATOM 1017 OG1 THR A 71 31.981 18.721 -31.721 1.00 0.00 O ATOM 1018 CG2 THR A 71 29.585 19.026 -31.669 1.00 0.00 C ATOM 0 H THR A 71 29.812 21.015 -28.575 1.00 0.00 H new ATOM 0 HA THR A 71 32.165 20.355 -29.844 1.00 0.00 H new ATOM 0 HB THR A 71 30.775 18.138 -30.137 1.00 0.00 H new ATOM 0 HG1 THR A 71 31.904 17.827 -32.114 1.00 0.00 H new ATOM 0 HG21 THR A 71 29.456 18.095 -32.221 1.00 0.00 H new ATOM 0 HG22 THR A 71 28.735 19.173 -31.003 1.00 0.00 H new ATOM 0 HG23 THR A 71 29.645 19.859 -32.370 1.00 0.00 H new ATOM 1026 N THR A 72 31.508 21.953 -31.727 1.00 0.00 N ATOM 1027 CA THR A 72 31.180 23.096 -32.565 1.00 0.00 C ATOM 1028 C THR A 72 31.146 22.705 -34.036 1.00 0.00 C ATOM 1029 O THR A 72 31.864 23.274 -34.858 1.00 0.00 O ATOM 1030 CB THR A 72 32.189 24.242 -32.372 1.00 0.00 C ATOM 1031 OG1 THR A 72 33.499 23.710 -32.146 1.00 0.00 O ATOM 1032 CG2 THR A 72 31.784 25.121 -31.200 1.00 0.00 C ATOM 0 H THR A 72 32.449 21.583 -31.864 1.00 0.00 H new ATOM 0 HA THR A 72 30.191 23.439 -32.260 1.00 0.00 H new ATOM 0 HB THR A 72 32.197 24.848 -33.278 1.00 0.00 H new ATOM 0 HG1 THR A 72 34.135 24.446 -32.026 1.00 0.00 H new ATOM 0 HG21 THR A 72 32.510 25.925 -31.080 1.00 0.00 H new ATOM 0 HG22 THR A 72 30.799 25.547 -31.388 1.00 0.00 H new ATOM 0 HG23 THR A 72 31.753 24.522 -30.290 1.00 0.00 H new ATOM 1040 N GLU A 73 30.311 21.724 -34.360 1.00 0.00 N ATOM 1041 CA GLU A 73 30.187 21.248 -35.725 1.00 0.00 C ATOM 1042 C GLU A 73 28.984 21.869 -36.430 1.00 0.00 C ATOM 1043 O GLU A 73 29.064 22.244 -37.600 1.00 0.00 O ATOM 1044 CB GLU A 73 30.080 19.725 -35.734 1.00 0.00 C ATOM 1045 CG GLU A 73 29.254 19.146 -34.610 1.00 0.00 C ATOM 1046 CD GLU A 73 28.371 18.015 -35.080 1.00 0.00 C ATOM 1047 OE1 GLU A 73 28.587 17.535 -36.213 1.00 0.00 O ATOM 1048 OE2 GLU A 73 27.470 17.604 -34.318 1.00 0.00 O ATOM 0 H GLU A 73 29.710 21.244 -33.690 1.00 0.00 H new ATOM 0 HA GLU A 73 31.080 21.551 -36.272 1.00 0.00 H new ATOM 0 HB2 GLU A 73 29.648 19.410 -36.684 1.00 0.00 H new ATOM 0 HB3 GLU A 73 31.084 19.303 -35.684 1.00 0.00 H new ATOM 0 HG2 GLU A 73 29.916 18.786 -33.822 1.00 0.00 H new ATOM 0 HG3 GLU A 73 28.636 19.931 -34.173 1.00 0.00 H new ATOM 1055 N GLY A 74 27.871 21.970 -35.716 1.00 0.00 N ATOM 1056 CA GLY A 74 26.670 22.543 -36.293 1.00 0.00 C ATOM 1057 C GLY A 74 26.159 23.738 -35.512 1.00 0.00 C ATOM 1058 O GLY A 74 25.152 23.644 -34.809 1.00 0.00 O ATOM 0 H GLY A 74 27.778 21.665 -34.747 1.00 0.00 H new ATOM 0 HA2 GLY A 74 26.874 22.845 -37.320 1.00 0.00 H new ATOM 0 HA3 GLY A 74 25.892 21.781 -36.334 1.00 0.00 H new ATOM 1122 N HIS A 79 29.919 29.092 -30.352 1.00 0.00 N ATOM 1123 CA HIS A 79 29.946 28.604 -28.976 1.00 0.00 C ATOM 1124 C HIS A 79 29.731 27.094 -28.925 1.00 0.00 C ATOM 1125 O HIS A 79 28.820 26.567 -29.564 1.00 0.00 O ATOM 1126 CB HIS A 79 28.870 29.309 -28.148 1.00 0.00 C ATOM 1127 CG HIS A 79 28.791 30.783 -28.400 1.00 0.00 C ATOM 1128 ND1 HIS A 79 29.857 31.527 -28.860 1.00 0.00 N ATOM 1129 CD2 HIS A 79 27.762 31.653 -28.258 1.00 0.00 C ATOM 1130 CE1 HIS A 79 29.488 32.788 -28.991 1.00 0.00 C ATOM 1131 NE2 HIS A 79 28.222 32.892 -28.633 1.00 0.00 N ATOM 0 HA HIS A 79 30.928 28.825 -28.558 1.00 0.00 H new ATOM 0 HB2 HIS A 79 27.902 28.859 -28.367 1.00 0.00 H new ATOM 0 HB3 HIS A 79 29.068 29.140 -27.090 1.00 0.00 H new ATOM 0 HD2 HIS A 79 26.766 31.417 -27.914 1.00 0.00 H new ATOM 0 HE1 HIS A 79 30.116 33.597 -29.333 1.00 0.00 H new ATOM 0 HE2 HIS A 79 27.674 33.752 -28.634 1.00 0.00 H new ATOM 1140 N LEU A 80 30.565 26.402 -28.153 1.00 0.00 N ATOM 1141 CA LEU A 80 30.448 24.954 -28.017 1.00 0.00 C ATOM 1142 C LEU A 80 29.025 24.576 -27.622 1.00 0.00 C ATOM 1143 O LEU A 80 28.422 25.218 -26.765 1.00 0.00 O ATOM 1144 CB LEU A 80 31.434 24.430 -26.971 1.00 0.00 C ATOM 1145 CG LEU A 80 32.784 23.973 -27.525 1.00 0.00 C ATOM 1146 CD1 LEU A 80 33.575 25.160 -28.050 1.00 0.00 C ATOM 1147 CD2 LEU A 80 33.575 23.233 -26.458 1.00 0.00 C ATOM 0 H LEU A 80 31.325 26.818 -27.615 1.00 0.00 H new ATOM 0 HA LEU A 80 30.684 24.499 -28.979 1.00 0.00 H new ATOM 0 HB2 LEU A 80 31.608 25.213 -26.233 1.00 0.00 H new ATOM 0 HB3 LEU A 80 30.972 23.594 -26.446 1.00 0.00 H new ATOM 0 HG LEU A 80 32.602 23.289 -28.354 1.00 0.00 H new ATOM 0 HD11 LEU A 80 34.533 24.815 -28.440 1.00 0.00 H new ATOM 0 HD12 LEU A 80 33.013 25.648 -28.846 1.00 0.00 H new ATOM 0 HD13 LEU A 80 33.747 25.869 -27.240 1.00 0.00 H new ATOM 0 HD21 LEU A 80 34.533 22.915 -26.870 1.00 0.00 H new ATOM 0 HD22 LEU A 80 33.747 23.894 -25.608 1.00 0.00 H new ATOM 0 HD23 LEU A 80 33.013 22.359 -26.130 1.00 0.00 H new ATOM 1159 N TRP A 81 28.490 23.537 -28.256 1.00 0.00 N ATOM 1160 CA TRP A 81 27.131 23.090 -27.967 1.00 0.00 C ATOM 1161 C TRP A 81 27.064 21.573 -27.820 1.00 0.00 C ATOM 1162 O TRP A 81 27.952 20.852 -28.275 1.00 0.00 O ATOM 1163 CB TRP A 81 26.185 23.538 -29.081 1.00 0.00 C ATOM 1164 CG TRP A 81 26.487 22.899 -30.402 1.00 0.00 C ATOM 1165 CD1 TRP A 81 27.289 23.396 -31.388 1.00 0.00 C ATOM 1166 CD2 TRP A 81 25.995 21.641 -30.880 1.00 0.00 C ATOM 1167 NE1 TRP A 81 27.325 22.527 -32.450 1.00 0.00 N ATOM 1168 CE2 TRP A 81 26.539 21.441 -32.163 1.00 0.00 C ATOM 1169 CE3 TRP A 81 25.148 20.664 -30.349 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 26.262 20.305 -32.921 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 24.874 19.537 -31.101 1.00 0.00 C ATOM 1172 CH2 TRP A 81 25.431 19.366 -32.375 1.00 0.00 C ATOM 0 H TRP A 81 28.973 22.991 -28.969 1.00 0.00 H new ATOM 0 HA TRP A 81 26.826 23.539 -27.022 1.00 0.00 H new ATOM 0 HB2 TRP A 81 25.160 23.301 -28.796 1.00 0.00 H new ATOM 0 HB3 TRP A 81 26.245 24.621 -29.186 1.00 0.00 H new ATOM 0 HD1 TRP A 81 27.818 24.336 -31.340 1.00 0.00 H new ATOM 0 HE1 TRP A 81 27.851 22.667 -33.313 1.00 0.00 H new ATOM 0 HE3 TRP A 81 24.715 20.788 -29.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 26.688 20.171 -33.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 24.220 18.776 -30.700 1.00 0.00 H new ATOM 0 HH2 TRP A 81 25.199 18.474 -32.938 1.00 0.00 H new ATOM 1183 N CYS A 82 25.995 21.100 -27.187 1.00 0.00 N ATOM 1184 CA CYS A 82 25.788 19.672 -26.980 1.00 0.00 C ATOM 1185 C CYS A 82 24.300 19.344 -27.016 1.00 0.00 C ATOM 1186 O CYS A 82 23.464 20.238 -27.131 1.00 0.00 O ATOM 1187 CB CYS A 82 26.388 19.229 -25.644 1.00 0.00 C ATOM 1188 SG CYS A 82 25.296 19.506 -24.211 1.00 0.00 S ATOM 0 H CYS A 82 25.255 21.690 -26.807 1.00 0.00 H new ATOM 0 HA CYS A 82 26.290 19.133 -27.783 1.00 0.00 H new ATOM 0 HB2 CYS A 82 26.633 18.168 -25.701 1.00 0.00 H new ATOM 0 HB3 CYS A 82 27.324 19.764 -25.483 1.00 0.00 H new ATOM 1193 N SER A 83 23.972 18.061 -26.918 1.00 0.00 N ATOM 1194 CA SER A 83 22.578 17.635 -26.940 1.00 0.00 C ATOM 1195 C SER A 83 22.091 17.285 -25.539 1.00 0.00 C ATOM 1196 O SER A 83 22.837 16.732 -24.732 1.00 0.00 O ATOM 1197 CB SER A 83 22.401 16.434 -27.872 1.00 0.00 C ATOM 1198 OG SER A 83 21.191 15.749 -27.598 1.00 0.00 O ATOM 0 H SER A 83 24.647 17.302 -26.823 1.00 0.00 H new ATOM 0 HA SER A 83 21.979 18.465 -27.314 1.00 0.00 H new ATOM 0 HB2 SER A 83 22.405 16.771 -28.909 1.00 0.00 H new ATOM 0 HB3 SER A 83 23.243 15.752 -27.755 1.00 0.00 H new ATOM 0 HG SER A 83 21.101 14.987 -28.208 1.00 0.00 H new ATOM 1204 N THR A 84 20.833 17.609 -25.258 1.00 0.00 N ATOM 1205 CA THR A 84 20.242 17.328 -23.956 1.00 0.00 C ATOM 1206 C THR A 84 19.102 16.324 -24.089 1.00 0.00 C ATOM 1207 O THR A 84 18.691 15.701 -23.109 1.00 0.00 O ATOM 1208 CB THR A 84 19.712 18.610 -23.287 1.00 0.00 C ATOM 1209 OG1 THR A 84 18.691 19.202 -24.099 1.00 0.00 O ATOM 1210 CG2 THR A 84 20.840 19.610 -23.071 1.00 0.00 C ATOM 0 H THR A 84 20.203 18.067 -25.916 1.00 0.00 H new ATOM 0 HA THR A 84 21.029 16.907 -23.330 1.00 0.00 H new ATOM 0 HB THR A 84 19.292 18.342 -22.317 1.00 0.00 H new ATOM 0 HG1 THR A 84 18.787 18.892 -25.024 1.00 0.00 H new ATOM 0 HG21 THR A 84 20.444 20.508 -22.597 1.00 0.00 H new ATOM 0 HG22 THR A 84 21.601 19.167 -22.429 1.00 0.00 H new ATOM 0 HG23 THR A 84 21.283 19.872 -24.032 1.00 0.00 H new ATOM 1218 N THR A 85 18.601 16.169 -25.310 1.00 0.00 N ATOM 1219 CA THR A 85 17.514 15.237 -25.583 1.00 0.00 C ATOM 1220 C THR A 85 17.965 14.150 -26.552 1.00 0.00 C ATOM 1221 O THR A 85 18.421 14.443 -27.657 1.00 0.00 O ATOM 1222 CB THR A 85 16.289 15.961 -26.178 1.00 0.00 C ATOM 1223 OG1 THR A 85 15.677 16.791 -25.182 1.00 0.00 O ATOM 1224 CG2 THR A 85 15.274 14.958 -26.706 1.00 0.00 C ATOM 0 H THR A 85 18.932 16.679 -26.129 1.00 0.00 H new ATOM 0 HA THR A 85 17.232 14.786 -24.632 1.00 0.00 H new ATOM 0 HB THR A 85 16.628 16.582 -27.007 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.755 16.993 -25.446 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.418 15.491 -27.121 1.00 0.00 H new ATOM 0 HG22 THR A 85 15.735 14.349 -27.484 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.941 14.315 -25.892 1.00 0.00 H new ATOM 1232 N SER A 86 17.837 12.894 -26.134 1.00 0.00 N ATOM 1233 CA SER A 86 18.236 11.768 -26.971 1.00 0.00 C ATOM 1234 C SER A 86 17.846 12.012 -28.425 1.00 0.00 C ATOM 1235 O SER A 86 18.563 11.621 -29.345 1.00 0.00 O ATOM 1236 CB SER A 86 17.593 10.476 -26.465 1.00 0.00 C ATOM 1237 OG SER A 86 17.448 10.497 -25.056 1.00 0.00 O ATOM 0 H SER A 86 17.461 12.631 -25.223 1.00 0.00 H new ATOM 0 HA SER A 86 19.320 11.669 -26.915 1.00 0.00 H new ATOM 0 HB2 SER A 86 16.617 10.344 -26.932 1.00 0.00 H new ATOM 0 HB3 SER A 86 18.204 9.623 -26.758 1.00 0.00 H new ATOM 0 HG SER A 86 17.033 9.661 -24.757 1.00 0.00 H new ATOM 1243 N ASN A 87 16.704 12.662 -28.622 1.00 0.00 N ATOM 1244 CA ASN A 87 16.216 12.962 -29.963 1.00 0.00 C ATOM 1245 C ASN A 87 16.383 14.444 -30.283 1.00 0.00 C ATOM 1246 O ASN A 87 15.402 15.183 -30.373 1.00 0.00 O ATOM 1247 CB ASN A 87 14.745 12.565 -30.093 1.00 0.00 C ATOM 1248 CG ASN A 87 14.519 11.527 -31.174 1.00 0.00 C ATOM 1249 OD1 ASN A 87 14.116 10.399 -30.893 1.00 0.00 O ATOM 1250 ND2 ASN A 87 14.778 11.905 -32.420 1.00 0.00 N ATOM 0 H ASN A 87 16.099 12.991 -27.870 1.00 0.00 H new ATOM 0 HA ASN A 87 16.806 12.385 -30.675 1.00 0.00 H new ATOM 0 HB2 ASN A 87 14.391 12.174 -29.139 1.00 0.00 H new ATOM 0 HB3 ASN A 87 14.151 13.451 -30.315 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.644 11.250 -33.190 1.00 0.00 H new ATOM 0 HD22 ASN A 87 15.111 12.851 -32.607 1.00 0.00 H new ATOM 1257 N TYR A 88 17.630 14.873 -30.455 1.00 0.00 N ATOM 1258 CA TYR A 88 17.921 16.267 -30.766 1.00 0.00 C ATOM 1259 C TYR A 88 17.551 16.582 -32.211 1.00 0.00 C ATOM 1260 O TYR A 88 17.432 17.746 -32.594 1.00 0.00 O ATOM 1261 CB TYR A 88 19.402 16.566 -30.524 1.00 0.00 C ATOM 1262 CG TYR A 88 19.919 17.756 -31.302 1.00 0.00 C ATOM 1263 CD1 TYR A 88 20.352 17.616 -32.613 1.00 0.00 C ATOM 1264 CD2 TYR A 88 19.970 19.018 -30.726 1.00 0.00 C ATOM 1265 CE1 TYR A 88 20.824 18.700 -33.329 1.00 0.00 C ATOM 1266 CE2 TYR A 88 20.439 20.108 -31.434 1.00 0.00 C ATOM 1267 CZ TYR A 88 20.865 19.943 -32.735 1.00 0.00 C ATOM 1268 OH TYR A 88 21.335 21.025 -33.444 1.00 0.00 O ATOM 0 H TYR A 88 18.454 14.275 -30.384 1.00 0.00 H new ATOM 0 HA TYR A 88 17.322 16.898 -30.110 1.00 0.00 H new ATOM 0 HB2 TYR A 88 19.558 16.744 -29.460 1.00 0.00 H new ATOM 0 HB3 TYR A 88 19.989 15.687 -30.790 1.00 0.00 H new ATOM 0 HD1 TYR A 88 20.320 16.644 -33.082 1.00 0.00 H new ATOM 0 HD2 TYR A 88 19.637 19.150 -29.707 1.00 0.00 H new ATOM 0 HE1 TYR A 88 21.159 18.574 -34.348 1.00 0.00 H new ATOM 0 HE2 TYR A 88 20.472 21.083 -30.971 1.00 0.00 H new ATOM 0 HH TYR A 88 21.297 21.826 -32.881 1.00 0.00 H new ATOM 1278 N GLU A 89 17.370 15.535 -33.010 1.00 0.00 N ATOM 1279 CA GLU A 89 17.016 15.698 -34.413 1.00 0.00 C ATOM 1280 C GLU A 89 15.555 16.109 -34.559 1.00 0.00 C ATOM 1281 O GLU A 89 15.127 16.550 -35.626 1.00 0.00 O ATOM 1282 CB GLU A 89 17.273 14.399 -35.179 1.00 0.00 C ATOM 1283 CG GLU A 89 18.743 14.021 -35.260 1.00 0.00 C ATOM 1284 CD GLU A 89 18.952 12.588 -35.709 1.00 0.00 C ATOM 1285 OE1 GLU A 89 18.084 12.060 -36.436 1.00 0.00 O ATOM 1286 OE2 GLU A 89 19.983 11.993 -35.332 1.00 0.00 O ATOM 0 H GLU A 89 17.463 14.565 -32.708 1.00 0.00 H new ATOM 0 HA GLU A 89 17.640 16.487 -34.832 1.00 0.00 H new ATOM 0 HB2 GLU A 89 16.724 13.589 -34.699 1.00 0.00 H new ATOM 0 HB3 GLU A 89 16.876 14.498 -36.189 1.00 0.00 H new ATOM 0 HG2 GLU A 89 19.250 14.693 -35.953 1.00 0.00 H new ATOM 0 HG3 GLU A 89 19.205 14.163 -34.283 1.00 0.00 H new ATOM 1293 N GLN A 90 14.793 15.960 -33.481 1.00 0.00 N ATOM 1294 CA GLN A 90 13.376 16.314 -33.491 1.00 0.00 C ATOM 1295 C GLN A 90 13.051 17.323 -32.393 1.00 0.00 C ATOM 1296 O GLN A 90 12.117 18.115 -32.523 1.00 0.00 O ATOM 1297 CB GLN A 90 12.514 15.062 -33.324 1.00 0.00 C ATOM 1298 CG GLN A 90 12.324 14.643 -31.876 1.00 0.00 C ATOM 1299 CD GLN A 90 10.878 14.726 -31.429 1.00 0.00 C ATOM 1300 OE1 GLN A 90 9.965 14.360 -32.170 1.00 0.00 O ATOM 1301 NE2 GLN A 90 10.661 15.209 -30.212 1.00 0.00 N ATOM 0 H GLN A 90 15.131 15.597 -32.590 1.00 0.00 H new ATOM 0 HA GLN A 90 13.153 16.775 -34.453 1.00 0.00 H new ATOM 0 HB2 GLN A 90 11.537 15.241 -33.773 1.00 0.00 H new ATOM 0 HB3 GLN A 90 12.972 14.240 -33.874 1.00 0.00 H new ATOM 0 HG2 GLN A 90 12.682 13.621 -31.748 1.00 0.00 H new ATOM 0 HG3 GLN A 90 12.935 15.278 -31.235 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.447 15.501 -29.631 1.00 0.00 H new ATOM 0 HE22 GLN A 90 9.708 15.289 -29.857 1.00 0.00 H new ATOM 1310 N ASP A 91 13.825 17.293 -31.312 1.00 0.00 N ATOM 1311 CA ASP A 91 13.613 18.207 -30.196 1.00 0.00 C ATOM 1312 C ASP A 91 14.443 19.475 -30.367 1.00 0.00 C ATOM 1313 O ASP A 91 13.927 20.587 -30.248 1.00 0.00 O ATOM 1314 CB ASP A 91 13.971 17.524 -28.875 1.00 0.00 C ATOM 1315 CG ASP A 91 12.748 17.204 -28.039 1.00 0.00 C ATOM 1316 OD1 ASP A 91 11.631 17.203 -28.598 1.00 0.00 O ATOM 1317 OD2 ASP A 91 12.906 16.956 -26.825 1.00 0.00 O ATOM 0 H ASP A 91 14.604 16.646 -31.186 1.00 0.00 H new ATOM 0 HA ASP A 91 12.559 18.483 -30.180 1.00 0.00 H new ATOM 0 HB2 ASP A 91 14.517 16.604 -29.082 1.00 0.00 H new ATOM 0 HB3 ASP A 91 14.639 18.170 -28.305 1.00 0.00 H new ATOM 1322 N GLN A 92 15.730 19.301 -30.648 1.00 0.00 N ATOM 1323 CA GLN A 92 16.632 20.431 -30.838 1.00 0.00 C ATOM 1324 C GLN A 92 17.064 21.018 -29.498 1.00 0.00 C ATOM 1325 O GLN A 92 17.609 22.120 -29.440 1.00 0.00 O ATOM 1326 CB GLN A 92 15.960 21.510 -31.688 1.00 0.00 C ATOM 1327 CG GLN A 92 16.776 21.922 -32.904 1.00 0.00 C ATOM 1328 CD GLN A 92 16.693 20.911 -34.031 1.00 0.00 C ATOM 1329 OE1 GLN A 92 17.625 20.143 -34.261 1.00 0.00 O ATOM 1330 NE2 GLN A 92 15.571 20.909 -34.742 1.00 0.00 N ATOM 0 H GLN A 92 16.172 18.387 -30.749 1.00 0.00 H new ATOM 0 HA GLN A 92 17.520 20.069 -31.357 1.00 0.00 H new ATOM 0 HB2 GLN A 92 14.987 21.146 -32.020 1.00 0.00 H new ATOM 0 HB3 GLN A 92 15.778 22.388 -31.068 1.00 0.00 H new ATOM 0 HG2 GLN A 92 16.424 22.890 -33.262 1.00 0.00 H new ATOM 0 HG3 GLN A 92 17.818 22.050 -32.611 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.823 21.564 -34.516 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.458 20.252 -35.514 1.00 0.00 H new ATOM 1339 N LYS A 93 16.819 20.275 -28.424 1.00 0.00 N ATOM 1340 CA LYS A 93 17.186 20.724 -27.086 1.00 0.00 C ATOM 1341 C LYS A 93 18.690 20.597 -26.867 1.00 0.00 C ATOM 1342 O LYS A 93 19.170 19.588 -26.352 1.00 0.00 O ATOM 1343 CB LYS A 93 16.436 19.912 -26.028 1.00 0.00 C ATOM 1344 CG LYS A 93 15.004 20.373 -25.809 1.00 0.00 C ATOM 1345 CD LYS A 93 14.307 20.676 -27.125 1.00 0.00 C ATOM 1346 CE LYS A 93 12.801 20.505 -27.011 1.00 0.00 C ATOM 1347 NZ LYS A 93 12.077 21.203 -28.109 1.00 0.00 N ATOM 0 H LYS A 93 16.368 19.360 -28.454 1.00 0.00 H new ATOM 0 HA LYS A 93 16.908 21.774 -26.992 1.00 0.00 H new ATOM 0 HB2 LYS A 93 16.430 18.863 -26.324 1.00 0.00 H new ATOM 0 HB3 LYS A 93 16.977 19.974 -25.084 1.00 0.00 H new ATOM 0 HG2 LYS A 93 14.451 19.602 -25.273 1.00 0.00 H new ATOM 0 HG3 LYS A 93 15.000 21.264 -25.181 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.536 21.696 -27.432 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.691 20.015 -27.902 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.554 19.444 -27.031 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.464 20.893 -26.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 11.134 20.780 -28.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.977 22.211 -27.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 12.613 21.106 -28.995 1.00 0.00 H new ATOM 1361 N TYR A 94 19.428 21.627 -27.267 1.00 0.00 N ATOM 1362 CA TYR A 94 20.878 21.629 -27.118 1.00 0.00 C ATOM 1363 C TYR A 94 21.321 22.645 -26.071 1.00 0.00 C ATOM 1364 O TYR A 94 20.550 23.517 -25.670 1.00 0.00 O ATOM 1365 CB TYR A 94 21.549 21.941 -28.456 1.00 0.00 C ATOM 1366 CG TYR A 94 21.509 23.406 -28.831 1.00 0.00 C ATOM 1367 CD1 TYR A 94 22.382 24.315 -28.249 1.00 0.00 C ATOM 1368 CD2 TYR A 94 20.597 23.878 -29.767 1.00 0.00 C ATOM 1369 CE1 TYR A 94 22.349 25.655 -28.589 1.00 0.00 C ATOM 1370 CE2 TYR A 94 20.559 25.215 -30.113 1.00 0.00 C ATOM 1371 CZ TYR A 94 21.436 26.099 -29.521 1.00 0.00 C ATOM 1372 OH TYR A 94 21.400 27.432 -29.863 1.00 0.00 O ATOM 0 H TYR A 94 19.046 22.470 -27.696 1.00 0.00 H new ATOM 0 HA TYR A 94 21.181 20.636 -26.786 1.00 0.00 H new ATOM 0 HB2 TYR A 94 22.588 21.614 -28.416 1.00 0.00 H new ATOM 0 HB3 TYR A 94 21.062 21.361 -29.240 1.00 0.00 H new ATOM 0 HD1 TYR A 94 23.099 23.970 -27.519 1.00 0.00 H new ATOM 0 HD2 TYR A 94 19.907 23.189 -30.231 1.00 0.00 H new ATOM 0 HE1 TYR A 94 23.035 26.350 -28.127 1.00 0.00 H new ATOM 0 HE2 TYR A 94 19.846 25.566 -30.844 1.00 0.00 H new ATOM 0 HH TYR A 94 20.701 27.579 -30.534 1.00 0.00 H new ATOM 1382 N SER A 95 22.570 22.524 -25.636 1.00 0.00 N ATOM 1383 CA SER A 95 23.126 23.428 -24.639 1.00 0.00 C ATOM 1384 C SER A 95 24.544 23.836 -25.016 1.00 0.00 C ATOM 1385 O SER A 95 25.243 23.106 -25.719 1.00 0.00 O ATOM 1386 CB SER A 95 23.120 22.767 -23.261 1.00 0.00 C ATOM 1387 OG SER A 95 22.029 21.875 -23.129 1.00 0.00 O ATOM 0 H SER A 95 23.218 21.806 -25.960 1.00 0.00 H new ATOM 0 HA SER A 95 22.505 24.323 -24.604 1.00 0.00 H new ATOM 0 HB2 SER A 95 24.055 22.228 -23.109 1.00 0.00 H new ATOM 0 HB3 SER A 95 23.064 23.533 -22.487 1.00 0.00 H new ATOM 0 HG SER A 95 21.823 21.749 -22.179 1.00 0.00 H new ATOM 1393 N PHE A 96 24.966 25.006 -24.551 1.00 0.00 N ATOM 1394 CA PHE A 96 26.301 25.506 -24.850 1.00 0.00 C ATOM 1395 C PHE A 96 27.330 24.945 -23.875 1.00 0.00 C ATOM 1396 O PHE A 96 26.992 24.194 -22.960 1.00 0.00 O ATOM 1397 CB PHE A 96 26.322 27.033 -24.803 1.00 0.00 C ATOM 1398 CG PHE A 96 25.807 27.683 -26.057 1.00 0.00 C ATOM 1399 CD1 PHE A 96 26.096 27.147 -27.301 1.00 0.00 C ATOM 1400 CD2 PHE A 96 25.036 28.832 -25.989 1.00 0.00 C ATOM 1401 CE1 PHE A 96 25.625 27.744 -28.455 1.00 0.00 C ATOM 1402 CE2 PHE A 96 24.561 29.433 -27.139 1.00 0.00 C ATOM 1403 CZ PHE A 96 24.856 28.888 -28.374 1.00 0.00 C ATOM 0 H PHE A 96 24.404 25.625 -23.967 1.00 0.00 H new ATOM 0 HA PHE A 96 26.563 25.175 -25.855 1.00 0.00 H new ATOM 0 HB2 PHE A 96 25.723 27.370 -23.957 1.00 0.00 H new ATOM 0 HB3 PHE A 96 27.344 27.368 -24.624 1.00 0.00 H new ATOM 0 HD1 PHE A 96 26.696 26.252 -27.370 1.00 0.00 H new ATOM 0 HD2 PHE A 96 24.804 29.263 -25.026 1.00 0.00 H new ATOM 0 HE1 PHE A 96 25.858 27.316 -29.419 1.00 0.00 H new ATOM 0 HE2 PHE A 96 23.960 30.328 -27.073 1.00 0.00 H new ATOM 0 HZ PHE A 96 24.486 29.356 -29.274 1.00 0.00 H new ATOM 1413 N CYS A 97 28.588 25.321 -24.077 1.00 0.00 N ATOM 1414 CA CYS A 97 29.672 24.863 -23.217 1.00 0.00 C ATOM 1415 C CYS A 97 30.829 25.857 -23.234 1.00 0.00 C ATOM 1416 O CYS A 97 31.179 26.401 -24.282 1.00 0.00 O ATOM 1417 CB CYS A 97 30.157 23.481 -23.660 1.00 0.00 C ATOM 1418 SG CYS A 97 28.832 22.234 -23.785 1.00 0.00 S ATOM 0 H CYS A 97 28.882 25.943 -24.830 1.00 0.00 H new ATOM 0 HA CYS A 97 29.292 24.791 -22.198 1.00 0.00 H new ATOM 0 HB2 CYS A 97 30.648 23.573 -24.629 1.00 0.00 H new ATOM 0 HB3 CYS A 97 30.909 23.128 -22.954 1.00 0.00 H new ATOM 1423 N THR A 98 31.418 26.091 -22.066 1.00 0.00 N ATOM 1424 CA THR A 98 32.531 27.020 -21.941 1.00 0.00 C ATOM 1425 C THR A 98 33.779 26.484 -22.634 1.00 0.00 C ATOM 1426 O THR A 98 33.995 26.729 -23.821 1.00 0.00 O ATOM 1427 CB THR A 98 32.864 27.300 -20.465 1.00 0.00 C ATOM 1428 OG1 THR A 98 32.621 26.128 -19.677 1.00 0.00 O ATOM 1429 CG2 THR A 98 32.035 28.455 -19.932 1.00 0.00 C ATOM 0 H THR A 98 31.140 25.647 -21.190 1.00 0.00 H new ATOM 0 HA THR A 98 32.221 27.948 -22.422 1.00 0.00 H new ATOM 0 HB THR A 98 33.918 27.570 -20.399 1.00 0.00 H new ATOM 0 HG1 THR A 98 32.837 26.314 -18.739 1.00 0.00 H new ATOM 0 HG21 THR A 98 32.289 28.633 -18.887 1.00 0.00 H new ATOM 0 HG22 THR A 98 32.244 29.352 -20.514 1.00 0.00 H new ATOM 0 HG23 THR A 98 30.976 28.210 -20.011 1.00 0.00 H new