USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 559 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 Single : A 23 MET CE :methyl -151:sc= -1.77! (180deg=-3.58!) USER MOD Single : A 24 SER OG : rot -18:sc= 0.0388 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.0986 K(o=-0.099,f=-1.7!) USER MOD Single : A 34 CYS SG : rot -45:sc= -5.21! USER MOD Single : A 35 SER OG : rot 180:sc= -0.334 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.0025 X(o=-0.0025,f=-0.39) USER MOD Single : A 49 SER OG : rot 53:sc= -0.154 USER MOD Single : A 54 THR OG1 : rot 154:sc= -4.54! USER MOD Single : A 61 SER OG : rot 180:sc= -0.368 USER MOD Single : A 64 TYR OH : rot 180:sc= -1.72! USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= -0.739 K(o=-0.74,f=-1.4) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.527 X(o=-0.53,f=-0.52) USER MOD Single : A 88 GLN : amide:sc= -4.13! C(o=-4.1!,f=-4.4!) USER MOD Single : A 91 HIS :FLIP no HD1:sc= -0.103 F(o=-0.67,f=-0.1) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 -4.816 -0.761 -0.823 1.00 0.00 N ATOM 2 CA MET A 23 -3.823 -0.059 -0.027 1.00 0.00 C ATOM 3 C MET A 23 -2.724 0.528 -0.915 1.00 0.00 C ATOM 4 O MET A 23 -1.596 0.038 -0.917 1.00 0.00 O ATOM 5 CB MET A 23 -3.202 -1.026 0.983 1.00 0.00 C ATOM 6 CG MET A 23 -3.868 -0.890 2.354 1.00 0.00 C ATOM 7 SD MET A 23 -5.333 -1.908 2.425 1.00 0.00 S ATOM 8 CE MET A 23 -5.945 -1.457 4.040 1.00 0.00 C ATOM 0 HA MET A 23 -4.317 0.760 0.497 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.307 -2.050 0.624 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.134 -0.828 1.072 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.171 -1.187 3.137 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.130 0.152 2.539 1.00 0.00 H new ATOM 0 HE1 MET A 23 -6.498 -2.294 4.466 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.107 -1.207 4.690 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.605 -0.594 3.951 1.00 0.00 H new ATOM 18 N SER A 24 -3.092 1.569 -1.646 1.00 0.00 N ATOM 19 CA SER A 24 -2.151 2.228 -2.536 1.00 0.00 C ATOM 20 C SER A 24 -1.883 3.654 -2.051 1.00 0.00 C ATOM 21 O SER A 24 -2.816 4.393 -1.738 1.00 0.00 O ATOM 22 CB SER A 24 -2.674 2.247 -3.974 1.00 0.00 C ATOM 23 OG SER A 24 -3.687 3.231 -4.162 1.00 0.00 O ATOM 0 H SER A 24 -4.029 1.973 -1.641 1.00 0.00 H new ATOM 0 HA SER A 24 -1.218 1.665 -2.524 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.848 2.443 -4.657 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.072 1.264 -4.228 1.00 0.00 H new ATOM 0 HG SER A 24 -4.052 3.495 -3.292 1.00 0.00 H new ATOM 29 N ILE A 25 -0.605 3.999 -2.003 1.00 0.00 N ATOM 30 CA ILE A 25 -0.202 5.323 -1.561 1.00 0.00 C ATOM 31 C ILE A 25 -0.412 6.322 -2.701 1.00 0.00 C ATOM 32 O ILE A 25 -0.195 5.994 -3.866 1.00 0.00 O ATOM 33 CB ILE A 25 1.230 5.296 -1.022 1.00 0.00 C ATOM 34 CG1 ILE A 25 2.224 5.768 -2.085 1.00 0.00 C ATOM 35 CG2 ILE A 25 1.585 3.910 -0.480 1.00 0.00 C ATOM 36 CD1 ILE A 25 2.271 4.794 -3.264 1.00 0.00 C ATOM 0 H ILE A 25 0.166 3.384 -2.263 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.824 5.653 -0.729 1.00 0.00 H new ATOM 0 HB ILE A 25 1.295 5.994 -0.188 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.940 6.759 -2.439 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.217 5.859 -1.644 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.608 3.918 -0.103 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.902 3.650 0.329 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.498 3.174 -1.279 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.985 5.154 -4.005 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.579 3.810 -2.911 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.282 4.724 -3.718 1.00 0.00 H new ATOM 48 N GLU A 26 -0.830 7.521 -2.324 1.00 0.00 N ATOM 49 CA GLU A 26 -1.071 8.570 -3.300 1.00 0.00 C ATOM 50 C GLU A 26 -0.080 9.719 -3.101 1.00 0.00 C ATOM 51 O GLU A 26 0.559 9.817 -2.054 1.00 0.00 O ATOM 52 CB GLU A 26 -2.514 9.072 -3.221 1.00 0.00 C ATOM 53 CG GLU A 26 -3.130 9.194 -4.616 1.00 0.00 C ATOM 54 CD GLU A 26 -3.552 10.636 -4.905 1.00 0.00 C ATOM 55 OE1 GLU A 26 -4.283 11.193 -4.058 1.00 0.00 O ATOM 56 OE2 GLU A 26 -3.135 11.147 -5.967 1.00 0.00 O ATOM 0 H GLU A 26 -1.008 7.790 -1.356 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.920 8.153 -4.296 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.108 8.387 -2.616 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.539 10.041 -2.723 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.410 8.865 -5.365 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.995 8.536 -4.694 1.00 0.00 H new ATOM 63 N ILE A 27 0.017 10.558 -4.121 1.00 0.00 N ATOM 64 CA ILE A 27 0.919 11.696 -4.071 1.00 0.00 C ATOM 65 C ILE A 27 0.223 12.920 -4.668 1.00 0.00 C ATOM 66 O ILE A 27 -0.518 12.804 -5.644 1.00 0.00 O ATOM 67 CB ILE A 27 2.249 11.355 -4.747 1.00 0.00 C ATOM 68 CG1 ILE A 27 3.020 10.307 -3.941 1.00 0.00 C ATOM 69 CG2 ILE A 27 3.080 12.616 -4.989 1.00 0.00 C ATOM 70 CD1 ILE A 27 3.489 10.880 -2.602 1.00 0.00 C ATOM 0 H ILE A 27 -0.514 10.473 -4.988 1.00 0.00 H new ATOM 0 HA ILE A 27 1.166 11.941 -3.038 1.00 0.00 H new ATOM 0 HB ILE A 27 2.035 10.918 -5.722 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.385 9.438 -3.766 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.881 9.963 -4.515 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.020 12.346 -5.470 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.526 13.299 -5.633 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.287 13.103 -4.036 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.034 10.115 -2.050 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.143 11.734 -2.781 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.625 11.201 -2.021 1.00 0.00 H new ATOM 82 N ASP A 28 0.485 14.067 -4.058 1.00 0.00 N ATOM 83 CA ASP A 28 -0.107 15.311 -4.517 1.00 0.00 C ATOM 84 C ASP A 28 0.995 16.355 -4.709 1.00 0.00 C ATOM 85 O ASP A 28 1.315 17.102 -3.785 1.00 0.00 O ATOM 86 CB ASP A 28 -1.103 15.858 -3.492 1.00 0.00 C ATOM 87 CG ASP A 28 -2.553 15.933 -3.975 1.00 0.00 C ATOM 88 OD1 ASP A 28 -2.802 16.732 -4.903 1.00 0.00 O ATOM 89 OD2 ASP A 28 -3.380 15.188 -3.406 1.00 0.00 O ATOM 0 H ASP A 28 1.100 14.160 -3.249 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.627 15.112 -5.454 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.065 15.232 -2.601 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.783 16.856 -3.194 1.00 0.00 H new ATOM 94 N SER A 29 1.544 16.374 -5.914 1.00 0.00 N ATOM 95 CA SER A 29 2.604 17.314 -6.239 1.00 0.00 C ATOM 96 C SER A 29 2.023 18.721 -6.401 1.00 0.00 C ATOM 97 O SER A 29 2.572 19.687 -5.874 1.00 0.00 O ATOM 98 CB SER A 29 3.342 16.894 -7.511 1.00 0.00 C ATOM 99 OG SER A 29 4.011 15.646 -7.353 1.00 0.00 O ATOM 0 H SER A 29 1.275 15.754 -6.678 1.00 0.00 H new ATOM 0 HA SER A 29 3.323 17.317 -5.420 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.632 16.823 -8.335 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.067 17.662 -7.780 1.00 0.00 H new ATOM 0 HG SER A 29 4.469 15.412 -8.187 1.00 0.00 H new ATOM 105 N GLU A 30 0.922 18.791 -7.134 1.00 0.00 N ATOM 106 CA GLU A 30 0.261 20.063 -7.373 1.00 0.00 C ATOM 107 C GLU A 30 0.082 20.823 -6.057 1.00 0.00 C ATOM 108 O GLU A 30 0.450 21.992 -5.957 1.00 0.00 O ATOM 109 CB GLU A 30 -1.082 19.860 -8.076 1.00 0.00 C ATOM 110 CG GLU A 30 -0.990 20.241 -9.555 1.00 0.00 C ATOM 111 CD GLU A 30 -0.828 18.998 -10.433 1.00 0.00 C ATOM 112 OE1 GLU A 30 -1.728 18.773 -11.269 1.00 0.00 O ATOM 113 OE2 GLU A 30 0.193 18.301 -10.246 1.00 0.00 O ATOM 0 H GLU A 30 0.471 17.987 -7.571 1.00 0.00 H new ATOM 0 HA GLU A 30 0.892 20.660 -8.032 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.391 18.819 -7.984 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.847 20.464 -7.588 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.887 20.785 -9.851 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.145 20.912 -9.709 1.00 0.00 H new ATOM 120 N GLN A 31 -0.484 20.128 -5.081 1.00 0.00 N ATOM 121 CA GLN A 31 -0.716 20.723 -3.776 1.00 0.00 C ATOM 122 C GLN A 31 0.513 20.541 -2.884 1.00 0.00 C ATOM 123 O GLN A 31 0.730 21.319 -1.955 1.00 0.00 O ATOM 124 CB GLN A 31 -1.964 20.130 -3.118 1.00 0.00 C ATOM 125 CG GLN A 31 -3.224 20.875 -3.562 1.00 0.00 C ATOM 126 CD GLN A 31 -4.350 20.707 -2.539 1.00 0.00 C ATOM 127 OE1 GLN A 31 -4.124 20.502 -1.357 1.00 0.00 O ATOM 128 NE2 GLN A 31 -5.571 20.804 -3.057 1.00 0.00 N ATOM 0 H GLN A 31 -0.789 19.158 -5.168 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.888 21.791 -3.910 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.050 19.075 -3.378 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -1.868 20.184 -2.034 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -2.999 21.934 -3.690 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.550 20.499 -4.532 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.689 20.977 -4.055 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.389 20.706 -2.456 1.00 0.00 H new ATOM 137 N GLY A 32 1.285 19.511 -3.196 1.00 0.00 N ATOM 138 CA GLY A 32 2.487 19.218 -2.434 1.00 0.00 C ATOM 139 C GLY A 32 2.143 18.536 -1.108 1.00 0.00 C ATOM 140 O GLY A 32 2.543 19.004 -0.043 1.00 0.00 O ATOM 0 H GLY A 32 1.102 18.868 -3.967 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.144 18.574 -3.018 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.034 20.141 -2.241 1.00 0.00 H new ATOM 144 N VAL A 33 1.404 17.442 -1.217 1.00 0.00 N ATOM 145 CA VAL A 33 1.001 16.691 -0.040 1.00 0.00 C ATOM 146 C VAL A 33 0.908 15.206 -0.395 1.00 0.00 C ATOM 147 O VAL A 33 0.874 14.846 -1.570 1.00 0.00 O ATOM 148 CB VAL A 33 -0.306 17.256 0.519 1.00 0.00 C ATOM 149 CG1 VAL A 33 -1.065 16.194 1.318 1.00 0.00 C ATOM 150 CG2 VAL A 33 -0.047 18.501 1.370 1.00 0.00 C ATOM 0 H VAL A 33 1.074 17.058 -2.102 1.00 0.00 H new ATOM 0 HA VAL A 33 1.746 16.790 0.750 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.930 17.551 -0.324 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.990 16.622 1.704 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.298 15.349 0.670 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.448 15.854 2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.993 18.882 1.755 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.606 18.243 2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.431 19.267 0.759 1.00 0.00 H new ATOM 160 N CYS A 34 0.869 14.383 0.643 1.00 0.00 N ATOM 161 CA CYS A 34 0.780 12.945 0.455 1.00 0.00 C ATOM 162 C CYS A 34 -0.537 12.462 1.067 1.00 0.00 C ATOM 163 O CYS A 34 -0.969 12.968 2.101 1.00 0.00 O ATOM 164 CB CYS A 34 1.987 12.221 1.054 1.00 0.00 C ATOM 165 SG CYS A 34 2.419 12.957 2.673 1.00 0.00 S ATOM 0 H CYS A 34 0.897 14.685 1.617 1.00 0.00 H new ATOM 0 HA CYS A 34 0.792 12.713 -0.610 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.762 11.161 1.175 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.837 12.291 0.375 1.00 0.00 H new ATOM 0 HG CYS A 34 2.403 14.253 2.578 1.00 0.00 H new ATOM 171 N SER A 35 -1.139 11.487 0.401 1.00 0.00 N ATOM 172 CA SER A 35 -2.398 10.929 0.865 1.00 0.00 C ATOM 173 C SER A 35 -2.461 9.436 0.538 1.00 0.00 C ATOM 174 O SER A 35 -2.419 9.050 -0.629 1.00 0.00 O ATOM 175 CB SER A 35 -3.588 11.660 0.241 1.00 0.00 C ATOM 176 OG SER A 35 -3.689 11.416 -1.160 1.00 0.00 O ATOM 0 H SER A 35 -0.778 11.069 -0.457 1.00 0.00 H new ATOM 0 HA SER A 35 -2.452 11.060 1.946 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.507 11.341 0.732 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.488 12.731 0.416 1.00 0.00 H new ATOM 0 HG SER A 35 -4.462 11.898 -1.521 1.00 0.00 H new ATOM 182 N VAL A 36 -2.560 8.636 1.590 1.00 0.00 N ATOM 183 CA VAL A 36 -2.629 7.194 1.430 1.00 0.00 C ATOM 184 C VAL A 36 -4.093 6.750 1.468 1.00 0.00 C ATOM 185 O VAL A 36 -4.921 7.387 2.118 1.00 0.00 O ATOM 186 CB VAL A 36 -1.768 6.507 2.492 1.00 0.00 C ATOM 187 CG1 VAL A 36 -2.061 5.006 2.548 1.00 0.00 C ATOM 188 CG2 VAL A 36 -0.281 6.767 2.245 1.00 0.00 C ATOM 0 H VAL A 36 -2.594 8.960 2.557 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.225 6.898 0.462 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.026 6.935 3.461 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.436 4.541 3.311 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.111 4.849 2.794 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.845 4.557 1.579 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.308 6.268 3.014 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.002 6.380 1.265 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.088 7.839 2.280 1.00 0.00 H new ATOM 198 N GLU A 37 -4.367 5.662 0.764 1.00 0.00 N ATOM 199 CA GLU A 37 -5.716 5.126 0.709 1.00 0.00 C ATOM 200 C GLU A 37 -5.801 3.821 1.502 1.00 0.00 C ATOM 201 O GLU A 37 -5.043 2.886 1.250 1.00 0.00 O ATOM 202 CB GLU A 37 -6.165 4.918 -0.739 1.00 0.00 C ATOM 203 CG GLU A 37 -6.458 6.257 -1.420 1.00 0.00 C ATOM 204 CD GLU A 37 -5.980 6.248 -2.873 1.00 0.00 C ATOM 205 OE1 GLU A 37 -6.057 5.164 -3.490 1.00 0.00 O ATOM 206 OE2 GLU A 37 -5.548 7.327 -3.335 1.00 0.00 O ATOM 0 H GLU A 37 -3.677 5.137 0.227 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.392 5.850 1.164 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.390 4.387 -1.291 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.057 4.292 -0.761 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.528 6.460 -1.387 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.964 7.062 -0.876 1.00 0.00 H new ATOM 213 N ILE A 38 -6.732 3.798 2.446 1.00 0.00 N ATOM 214 CA ILE A 38 -6.926 2.623 3.277 1.00 0.00 C ATOM 215 C ILE A 38 -8.408 2.495 3.634 1.00 0.00 C ATOM 216 O ILE A 38 -8.843 2.977 4.679 1.00 0.00 O ATOM 217 CB ILE A 38 -6.002 2.671 4.496 1.00 0.00 C ATOM 218 CG1 ILE A 38 -5.679 4.115 4.883 1.00 0.00 C ATOM 219 CG2 ILE A 38 -4.737 1.844 4.258 1.00 0.00 C ATOM 220 CD1 ILE A 38 -6.907 4.813 5.471 1.00 0.00 C ATOM 0 H ILE A 38 -7.360 4.575 2.653 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.650 1.721 2.731 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.526 2.222 5.340 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.867 4.127 5.610 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.331 4.661 4.006 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.098 1.895 5.139 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.011 0.806 4.068 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.200 2.241 3.397 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -6.650 5.838 5.738 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -7.709 4.820 4.733 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.238 4.278 6.362 1.00 0.00 H new ATOM 232 N GLU A 39 -9.143 1.843 2.745 1.00 0.00 N ATOM 233 CA GLU A 39 -10.568 1.645 2.953 1.00 0.00 C ATOM 234 C GLU A 39 -11.305 2.984 2.882 1.00 0.00 C ATOM 235 O GLU A 39 -12.174 3.173 2.032 1.00 0.00 O ATOM 236 CB GLU A 39 -10.835 0.942 4.285 1.00 0.00 C ATOM 237 CG GLU A 39 -12.329 0.948 4.618 1.00 0.00 C ATOM 238 CD GLU A 39 -13.102 0.014 3.686 1.00 0.00 C ATOM 239 OE1 GLU A 39 -12.922 -1.214 3.836 1.00 0.00 O ATOM 240 OE2 GLU A 39 -13.856 0.548 2.844 1.00 0.00 O ATOM 0 H GLU A 39 -8.779 1.445 1.879 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.946 1.002 2.158 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.473 -0.085 4.237 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.279 1.439 5.080 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.476 0.638 5.653 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.721 1.961 4.530 1.00 0.00 H new ATOM 247 N GLY A 40 -10.932 3.878 3.786 1.00 0.00 N ATOM 248 CA GLY A 40 -11.547 5.193 3.836 1.00 0.00 C ATOM 249 C GLY A 40 -10.488 6.296 3.783 1.00 0.00 C ATOM 250 O GLY A 40 -10.283 7.012 4.763 1.00 0.00 O ATOM 0 H GLY A 40 -10.211 3.717 4.490 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.238 5.307 3.001 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -12.133 5.290 4.750 1.00 0.00 H new ATOM 254 N SER A 41 -9.843 6.398 2.631 1.00 0.00 N ATOM 255 CA SER A 41 -8.810 7.402 2.438 1.00 0.00 C ATOM 256 C SER A 41 -9.203 8.700 3.146 1.00 0.00 C ATOM 257 O SER A 41 -10.346 9.144 3.048 1.00 0.00 O ATOM 258 CB SER A 41 -8.566 7.662 0.950 1.00 0.00 C ATOM 259 OG SER A 41 -7.753 8.813 0.735 1.00 0.00 O ATOM 0 H SER A 41 -10.015 5.802 1.821 1.00 0.00 H new ATOM 0 HA SER A 41 -7.883 7.026 2.870 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.086 6.791 0.504 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.522 7.794 0.443 1.00 0.00 H new ATOM 0 HG SER A 41 -7.619 8.944 -0.227 1.00 0.00 H new ATOM 265 N ARG A 42 -8.233 9.272 3.844 1.00 0.00 N ATOM 266 CA ARG A 42 -8.463 10.511 4.569 1.00 0.00 C ATOM 267 C ARG A 42 -7.196 10.932 5.315 1.00 0.00 C ATOM 268 O ARG A 42 -7.257 11.312 6.484 1.00 0.00 O ATOM 269 CB ARG A 42 -9.610 10.358 5.570 1.00 0.00 C ATOM 270 CG ARG A 42 -9.250 9.353 6.666 1.00 0.00 C ATOM 271 CD ARG A 42 -9.720 9.846 8.037 1.00 0.00 C ATOM 272 NE ARG A 42 -8.564 9.970 8.953 1.00 0.00 N ATOM 273 CZ ARG A 42 -8.662 9.977 10.289 1.00 0.00 C ATOM 274 NH1 ARG A 42 -9.863 9.869 10.874 1.00 0.00 N ATOM 275 NH2 ARG A 42 -7.559 10.094 11.042 1.00 0.00 N ATOM 0 H ARG A 42 -7.286 8.901 3.923 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.731 11.277 3.841 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.837 11.325 6.019 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.510 10.028 5.050 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.708 8.389 6.445 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.171 9.197 6.682 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.219 10.810 7.935 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.451 9.151 8.452 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.635 10.055 8.541 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.703 9.781 10.302 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.937 9.874 11.891 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.645 10.178 10.598 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.634 10.099 12.059 1.00 0.00 H new ATOM 289 N HIS A 43 -6.077 10.851 4.610 1.00 0.00 N ATOM 290 CA HIS A 43 -4.798 11.219 5.192 1.00 0.00 C ATOM 291 C HIS A 43 -4.412 12.627 4.733 1.00 0.00 C ATOM 292 O HIS A 43 -5.084 13.214 3.886 1.00 0.00 O ATOM 293 CB HIS A 43 -3.730 10.174 4.861 1.00 0.00 C ATOM 294 CG HIS A 43 -3.856 8.895 5.653 1.00 0.00 C ATOM 295 ND1 HIS A 43 -2.806 8.009 5.819 1.00 0.00 N ATOM 296 CD2 HIS A 43 -4.918 8.363 6.324 1.00 0.00 C ATOM 297 CE1 HIS A 43 -3.229 6.993 6.557 1.00 0.00 C ATOM 298 NE2 HIS A 43 -4.538 7.214 6.868 1.00 0.00 N ATOM 0 H HIS A 43 -6.030 10.536 3.641 1.00 0.00 H new ATOM 0 HA HIS A 43 -4.880 11.238 6.279 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -3.784 9.938 3.798 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -2.746 10.606 5.042 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.902 8.803 6.400 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -2.640 6.140 6.859 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -5.128 6.598 7.427 1.00 0.00 H new ATOM 306 N ARG A 44 -3.331 13.128 5.314 1.00 0.00 N ATOM 307 CA ARG A 44 -2.848 14.456 4.975 1.00 0.00 C ATOM 308 C ARG A 44 -1.528 14.739 5.695 1.00 0.00 C ATOM 309 O ARG A 44 -1.473 14.735 6.924 1.00 0.00 O ATOM 310 CB ARG A 44 -3.870 15.528 5.358 1.00 0.00 C ATOM 311 CG ARG A 44 -4.035 16.554 4.236 1.00 0.00 C ATOM 312 CD ARG A 44 -5.343 17.332 4.392 1.00 0.00 C ATOM 313 NE ARG A 44 -5.057 18.731 4.783 1.00 0.00 N ATOM 314 CZ ARG A 44 -5.979 19.703 4.824 1.00 0.00 C ATOM 315 NH1 ARG A 44 -7.250 19.434 4.499 1.00 0.00 N ATOM 316 NH2 ARG A 44 -5.628 20.943 5.191 1.00 0.00 N ATOM 0 H ARG A 44 -2.777 12.639 6.017 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.692 14.488 3.897 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.831 15.060 5.571 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.550 16.030 6.271 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.193 17.246 4.245 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.022 16.048 3.271 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.900 17.314 3.455 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.971 16.856 5.145 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.099 18.970 5.037 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -7.516 18.490 4.220 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -7.952 20.174 4.530 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.660 21.147 5.439 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.329 21.683 5.222 1.00 0.00 H new ATOM 330 N ALA A 45 -0.496 14.979 4.898 1.00 0.00 N ATOM 331 CA ALA A 45 0.820 15.264 5.444 1.00 0.00 C ATOM 332 C ALA A 45 1.731 15.774 4.325 1.00 0.00 C ATOM 333 O ALA A 45 1.464 15.541 3.147 1.00 0.00 O ATOM 334 CB ALA A 45 1.374 14.009 6.121 1.00 0.00 C ATOM 0 H ALA A 45 -0.545 14.982 3.879 1.00 0.00 H new ATOM 0 HA ALA A 45 0.761 16.044 6.203 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.361 14.222 6.531 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.705 13.704 6.926 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.451 13.205 5.389 1.00 0.00 H new ATOM 340 N PRO A 46 2.816 16.478 4.744 1.00 0.00 N ATOM 341 CA PRO A 46 3.769 17.023 3.792 1.00 0.00 C ATOM 342 C PRO A 46 4.662 15.921 3.218 1.00 0.00 C ATOM 343 O PRO A 46 5.134 15.054 3.953 1.00 0.00 O ATOM 344 CB PRO A 46 4.545 18.073 4.568 1.00 0.00 C ATOM 345 CG PRO A 46 4.321 17.756 6.038 1.00 0.00 C ATOM 346 CD PRO A 46 3.164 16.774 6.131 1.00 0.00 C ATOM 0 HA PRO A 46 3.286 17.467 2.922 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.605 18.039 4.318 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.193 19.076 4.327 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.222 17.328 6.478 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.096 18.666 6.595 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.454 15.871 6.668 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.320 17.207 6.667 1.00 0.00 H new ATOM 354 N VAL A 47 4.868 15.990 1.911 1.00 0.00 N ATOM 355 CA VAL A 47 5.696 15.009 1.231 1.00 0.00 C ATOM 356 C VAL A 47 7.151 15.185 1.670 1.00 0.00 C ATOM 357 O VAL A 47 7.932 14.235 1.638 1.00 0.00 O ATOM 358 CB VAL A 47 5.510 15.127 -0.283 1.00 0.00 C ATOM 359 CG1 VAL A 47 6.551 14.289 -1.029 1.00 0.00 C ATOM 360 CG2 VAL A 47 4.091 14.731 -0.693 1.00 0.00 C ATOM 0 H VAL A 47 4.476 16.710 1.305 1.00 0.00 H new ATOM 0 HA VAL A 47 5.394 13.998 1.504 1.00 0.00 H new ATOM 0 HB VAL A 47 5.659 16.171 -0.559 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.397 14.390 -2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.551 14.637 -0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.447 13.242 -0.744 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.985 14.824 -1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.901 13.699 -0.397 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.373 15.387 -0.201 1.00 0.00 H new ATOM 370 N ASP A 48 7.472 16.406 2.071 1.00 0.00 N ATOM 371 CA ASP A 48 8.819 16.718 2.516 1.00 0.00 C ATOM 372 C ASP A 48 9.031 16.154 3.923 1.00 0.00 C ATOM 373 O ASP A 48 10.116 16.278 4.488 1.00 0.00 O ATOM 374 CB ASP A 48 9.044 18.230 2.575 1.00 0.00 C ATOM 375 CG ASP A 48 8.148 18.980 3.563 1.00 0.00 C ATOM 376 OD1 ASP A 48 7.933 18.429 4.664 1.00 0.00 O ATOM 377 OD2 ASP A 48 7.697 20.086 3.194 1.00 0.00 O ATOM 0 H ASP A 48 6.822 17.191 2.097 1.00 0.00 H new ATOM 0 HA ASP A 48 9.518 16.277 1.806 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.085 18.417 2.838 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.887 18.644 1.579 1.00 0.00 H new ATOM 382 N SER A 49 7.976 15.548 4.447 1.00 0.00 N ATOM 383 CA SER A 49 8.032 14.965 5.777 1.00 0.00 C ATOM 384 C SER A 49 7.583 13.503 5.727 1.00 0.00 C ATOM 385 O SER A 49 6.757 13.076 6.532 1.00 0.00 O ATOM 386 CB SER A 49 7.166 15.753 6.761 1.00 0.00 C ATOM 387 OG SER A 49 7.403 17.155 6.677 1.00 0.00 O ATOM 0 H SER A 49 7.077 15.448 3.975 1.00 0.00 H new ATOM 0 HA SER A 49 9.063 15.010 6.127 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.114 15.551 6.560 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.368 15.411 7.776 1.00 0.00 H new ATOM 0 HG SER A 49 7.310 17.447 5.746 1.00 0.00 H new ATOM 393 N LEU A 50 8.147 12.776 4.773 1.00 0.00 N ATOM 394 CA LEU A 50 7.815 11.372 4.607 1.00 0.00 C ATOM 395 C LEU A 50 9.026 10.518 4.986 1.00 0.00 C ATOM 396 O LEU A 50 10.142 11.026 5.088 1.00 0.00 O ATOM 397 CB LEU A 50 7.294 11.107 3.193 1.00 0.00 C ATOM 398 CG LEU A 50 5.942 11.734 2.848 1.00 0.00 C ATOM 399 CD1 LEU A 50 5.631 11.581 1.358 1.00 0.00 C ATOM 400 CD2 LEU A 50 4.830 11.158 3.727 1.00 0.00 C ATOM 0 H LEU A 50 8.832 13.134 4.107 1.00 0.00 H new ATOM 0 HA LEU A 50 7.003 11.091 5.278 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.034 11.472 2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.219 10.029 3.051 1.00 0.00 H new ATOM 0 HG LEU A 50 5.998 12.802 3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.664 12.035 1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.405 12.076 0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.601 10.523 1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.880 11.621 3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.765 10.081 3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.052 11.361 4.775 1.00 0.00 H new ATOM 412 N ARG A 51 8.766 9.234 5.185 1.00 0.00 N ATOM 413 CA ARG A 51 9.821 8.304 5.551 1.00 0.00 C ATOM 414 C ARG A 51 9.378 6.865 5.280 1.00 0.00 C ATOM 415 O ARG A 51 8.234 6.503 5.551 1.00 0.00 O ATOM 416 CB ARG A 51 10.194 8.447 7.028 1.00 0.00 C ATOM 417 CG ARG A 51 11.543 9.151 7.188 1.00 0.00 C ATOM 418 CD ARG A 51 12.534 8.269 7.949 1.00 0.00 C ATOM 419 NE ARG A 51 13.803 9.001 8.163 1.00 0.00 N ATOM 420 CZ ARG A 51 14.849 8.510 8.841 1.00 0.00 C ATOM 421 NH1 ARG A 51 14.784 7.283 9.376 1.00 0.00 N ATOM 422 NH2 ARG A 51 15.960 9.246 8.984 1.00 0.00 N ATOM 0 H ARG A 51 7.840 8.816 5.100 1.00 0.00 H new ATOM 0 HA ARG A 51 10.695 8.539 4.944 1.00 0.00 H new ATOM 0 HB2 ARG A 51 9.421 9.012 7.549 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.237 7.462 7.493 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.948 9.396 6.206 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.405 10.092 7.720 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.109 7.974 8.908 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.723 7.353 7.389 1.00 0.00 H new ATOM 0 HE ARG A 51 13.886 9.938 7.769 1.00 0.00 H new ATOM 0 HH11 ARG A 51 13.938 6.723 9.267 1.00 0.00 H new ATOM 0 HH12 ARG A 51 15.580 6.909 9.892 1.00 0.00 H new ATOM 0 HH21 ARG A 51 16.009 10.180 8.577 1.00 0.00 H new ATOM 0 HH22 ARG A 51 16.756 8.872 9.500 1.00 0.00 H new ATOM 436 N ILE A 52 10.307 6.083 4.749 1.00 0.00 N ATOM 437 CA ILE A 52 10.027 4.692 4.439 1.00 0.00 C ATOM 438 C ILE A 52 10.769 3.793 5.430 1.00 0.00 C ATOM 439 O ILE A 52 11.894 4.096 5.826 1.00 0.00 O ATOM 440 CB ILE A 52 10.353 4.393 2.975 1.00 0.00 C ATOM 441 CG1 ILE A 52 9.426 5.169 2.037 1.00 0.00 C ATOM 442 CG2 ILE A 52 10.317 2.888 2.701 1.00 0.00 C ATOM 443 CD1 ILE A 52 9.327 4.483 0.673 1.00 0.00 C ATOM 0 H ILE A 52 11.255 6.387 4.526 1.00 0.00 H new ATOM 0 HA ILE A 52 8.963 4.483 4.554 1.00 0.00 H new ATOM 0 HB ILE A 52 11.370 4.732 2.776 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.434 5.246 2.482 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.799 6.186 1.911 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.552 2.703 1.653 1.00 0.00 H new ATOM 0 HG22 ILE A 52 11.051 2.386 3.332 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.322 2.501 2.923 1.00 0.00 H new ATOM 0 HD11 ILE A 52 8.662 5.055 0.026 1.00 0.00 H new ATOM 0 HD12 ILE A 52 10.317 4.429 0.220 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.931 3.475 0.800 1.00 0.00 H new ATOM 455 N GLY A 53 10.110 2.706 5.803 1.00 0.00 N ATOM 456 CA GLY A 53 10.693 1.761 6.740 1.00 0.00 C ATOM 457 C GLY A 53 10.627 0.334 6.193 1.00 0.00 C ATOM 458 O GLY A 53 10.112 0.108 5.099 1.00 0.00 O ATOM 0 H GLY A 53 9.177 2.459 5.473 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.731 2.031 6.936 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.164 1.814 7.692 1.00 0.00 H new ATOM 462 N THR A 54 11.156 -0.592 6.979 1.00 0.00 N ATOM 463 CA THR A 54 11.163 -1.991 6.587 1.00 0.00 C ATOM 464 C THR A 54 10.516 -2.853 7.673 1.00 0.00 C ATOM 465 O THR A 54 10.695 -2.596 8.863 1.00 0.00 O ATOM 466 CB THR A 54 12.608 -2.388 6.278 1.00 0.00 C ATOM 467 OG1 THR A 54 13.001 -1.489 5.244 1.00 0.00 O ATOM 468 CG2 THR A 54 12.710 -3.770 5.629 1.00 0.00 C ATOM 0 H THR A 54 11.583 -0.401 7.885 1.00 0.00 H new ATOM 0 HA THR A 54 10.566 -2.153 5.689 1.00 0.00 H new ATOM 0 HB THR A 54 13.192 -2.375 7.198 1.00 0.00 H new ATOM 0 HG1 THR A 54 13.974 -1.372 5.264 1.00 0.00 H new ATOM 0 HG21 THR A 54 13.756 -4.003 5.431 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.293 -4.519 6.302 1.00 0.00 H new ATOM 0 HG23 THR A 54 12.154 -3.774 4.692 1.00 0.00 H new ATOM 476 N ASP A 55 9.777 -3.857 7.224 1.00 0.00 N ATOM 477 CA ASP A 55 9.102 -4.758 8.143 1.00 0.00 C ATOM 478 C ASP A 55 9.760 -6.137 8.074 1.00 0.00 C ATOM 479 O ASP A 55 9.564 -6.875 7.109 1.00 0.00 O ATOM 480 CB ASP A 55 7.626 -4.919 7.772 1.00 0.00 C ATOM 481 CG ASP A 55 6.645 -4.754 8.934 1.00 0.00 C ATOM 482 OD1 ASP A 55 5.494 -4.356 8.653 1.00 0.00 O ATOM 483 OD2 ASP A 55 7.069 -5.030 10.078 1.00 0.00 O ATOM 0 H ASP A 55 9.631 -4.066 6.236 1.00 0.00 H new ATOM 0 HA ASP A 55 9.178 -4.337 9.145 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.379 -4.189 7.001 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.483 -5.906 7.333 1.00 0.00 H new ATOM 488 N ALA A 56 10.528 -6.444 9.109 1.00 0.00 N ATOM 489 CA ALA A 56 11.216 -7.722 9.178 1.00 0.00 C ATOM 490 C ALA A 56 10.192 -8.837 9.397 1.00 0.00 C ATOM 491 O ALA A 56 10.527 -10.017 9.311 1.00 0.00 O ATOM 492 CB ALA A 56 12.272 -7.674 10.284 1.00 0.00 C ATOM 0 H ALA A 56 10.689 -5.829 9.907 1.00 0.00 H new ATOM 0 HA ALA A 56 11.734 -7.930 8.242 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.788 -8.633 10.336 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.992 -6.885 10.066 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.789 -7.470 11.240 1.00 0.00 H new ATOM 498 N GLU A 57 8.965 -8.423 9.675 1.00 0.00 N ATOM 499 CA GLU A 57 7.889 -9.372 9.907 1.00 0.00 C ATOM 500 C GLU A 57 7.525 -10.091 8.607 1.00 0.00 C ATOM 501 O GLU A 57 7.210 -11.280 8.617 1.00 0.00 O ATOM 502 CB GLU A 57 6.667 -8.679 10.511 1.00 0.00 C ATOM 503 CG GLU A 57 6.126 -9.464 11.708 1.00 0.00 C ATOM 504 CD GLU A 57 5.291 -8.565 12.622 1.00 0.00 C ATOM 505 OE1 GLU A 57 5.895 -7.652 13.225 1.00 0.00 O ATOM 506 OE2 GLU A 57 4.068 -8.811 12.697 1.00 0.00 O ATOM 0 H GLU A 57 8.692 -7.443 9.745 1.00 0.00 H new ATOM 0 HA GLU A 57 8.236 -10.115 10.625 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.935 -7.670 10.825 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.889 -8.581 9.754 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.517 -10.297 11.356 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.955 -9.892 12.272 1.00 0.00 H new ATOM 513 N ALA A 58 7.581 -9.339 7.517 1.00 0.00 N ATOM 514 CA ALA A 58 7.261 -9.889 6.211 1.00 0.00 C ATOM 515 C ALA A 58 8.336 -9.465 5.207 1.00 0.00 C ATOM 516 O ALA A 58 8.139 -9.577 3.998 1.00 0.00 O ATOM 517 CB ALA A 58 5.862 -9.433 5.794 1.00 0.00 C ATOM 0 H ALA A 58 7.843 -8.353 7.512 1.00 0.00 H new ATOM 0 HA ALA A 58 7.252 -10.978 6.245 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.622 -9.846 4.814 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.132 -9.783 6.524 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.833 -8.344 5.746 1.00 0.00 H new ATOM 523 N ARG A 59 9.448 -8.989 5.746 1.00 0.00 N ATOM 524 CA ARG A 59 10.554 -8.548 4.912 1.00 0.00 C ATOM 525 C ARG A 59 10.038 -7.690 3.755 1.00 0.00 C ATOM 526 O ARG A 59 10.400 -7.915 2.601 1.00 0.00 O ATOM 527 CB ARG A 59 11.328 -9.742 4.347 1.00 0.00 C ATOM 528 CG ARG A 59 12.097 -10.469 5.452 1.00 0.00 C ATOM 529 CD ARG A 59 12.349 -11.930 5.074 1.00 0.00 C ATOM 530 NE ARG A 59 13.456 -12.016 4.096 1.00 0.00 N ATOM 531 CZ ARG A 59 13.682 -13.076 3.308 1.00 0.00 C ATOM 532 NH1 ARG A 59 12.879 -14.146 3.379 1.00 0.00 N ATOM 533 NH2 ARG A 59 14.710 -13.066 2.450 1.00 0.00 N ATOM 0 H ARG A 59 9.608 -8.899 6.749 1.00 0.00 H new ATOM 0 HA ARG A 59 11.224 -7.957 5.536 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.637 -10.433 3.865 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.023 -9.400 3.580 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.048 -9.966 5.630 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.533 -10.423 6.384 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.594 -12.508 5.965 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.444 -12.366 4.651 1.00 0.00 H new ATOM 0 HE ARG A 59 14.087 -11.218 4.017 1.00 0.00 H new ATOM 0 HH11 ARG A 59 12.096 -14.154 4.033 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.051 -14.953 2.779 1.00 0.00 H new ATOM 0 HH21 ARG A 59 15.321 -12.251 2.396 1.00 0.00 H new ATOM 0 HH22 ARG A 59 14.882 -13.873 1.850 1.00 0.00 H new ATOM 547 N LEU A 60 9.200 -6.726 4.104 1.00 0.00 N ATOM 548 CA LEU A 60 8.630 -5.833 3.109 1.00 0.00 C ATOM 549 C LEU A 60 8.857 -4.383 3.542 1.00 0.00 C ATOM 550 O LEU A 60 9.173 -4.119 4.701 1.00 0.00 O ATOM 551 CB LEU A 60 7.160 -6.177 2.859 1.00 0.00 C ATOM 552 CG LEU A 60 6.133 -5.273 3.544 1.00 0.00 C ATOM 553 CD1 LEU A 60 4.773 -5.365 2.850 1.00 0.00 C ATOM 554 CD2 LEU A 60 6.037 -5.586 5.039 1.00 0.00 C ATOM 0 H LEU A 60 8.902 -6.543 5.062 1.00 0.00 H new ATOM 0 HA LEU A 60 9.131 -5.962 2.150 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.979 -6.150 1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.987 -7.202 3.186 1.00 0.00 H new ATOM 0 HG LEU A 60 6.472 -4.241 3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.061 -4.713 3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.873 -5.054 1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.414 -6.393 2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.300 -4.929 5.502 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.734 -6.624 5.175 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.009 -5.428 5.507 1.00 0.00 H new ATOM 566 N SER A 61 8.686 -3.481 2.586 1.00 0.00 N ATOM 567 CA SER A 61 8.868 -2.064 2.854 1.00 0.00 C ATOM 568 C SER A 61 7.576 -1.467 3.415 1.00 0.00 C ATOM 569 O SER A 61 6.483 -1.814 2.970 1.00 0.00 O ATOM 570 CB SER A 61 9.294 -1.315 1.590 1.00 0.00 C ATOM 571 OG SER A 61 10.383 -1.955 0.931 1.00 0.00 O ATOM 0 H SER A 61 8.424 -3.704 1.626 1.00 0.00 H new ATOM 0 HA SER A 61 9.662 -1.955 3.593 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.447 -1.246 0.907 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.577 -0.295 1.851 1.00 0.00 H new ATOM 0 HG SER A 61 10.624 -1.447 0.128 1.00 0.00 H new ATOM 577 N VAL A 62 7.744 -0.580 4.384 1.00 0.00 N ATOM 578 CA VAL A 62 6.605 0.069 5.011 1.00 0.00 C ATOM 579 C VAL A 62 6.710 1.582 4.809 1.00 0.00 C ATOM 580 O VAL A 62 7.747 2.083 4.378 1.00 0.00 O ATOM 581 CB VAL A 62 6.519 -0.333 6.485 1.00 0.00 C ATOM 582 CG1 VAL A 62 5.932 -1.738 6.637 1.00 0.00 C ATOM 583 CG2 VAL A 62 7.889 -0.235 7.160 1.00 0.00 C ATOM 0 H VAL A 62 8.652 -0.295 4.751 1.00 0.00 H new ATOM 0 HA VAL A 62 5.676 -0.257 4.544 1.00 0.00 H new ATOM 0 HB VAL A 62 5.848 0.366 6.985 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.882 -1.999 7.694 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.930 -1.762 6.209 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.566 -2.455 6.116 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.801 -0.526 8.207 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.591 -0.900 6.657 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.253 0.791 7.098 1.00 0.00 H new ATOM 593 N LEU A 63 5.622 2.267 5.131 1.00 0.00 N ATOM 594 CA LEU A 63 5.579 3.712 4.990 1.00 0.00 C ATOM 595 C LEU A 63 5.249 4.342 6.345 1.00 0.00 C ATOM 596 O LEU A 63 4.389 3.846 7.071 1.00 0.00 O ATOM 597 CB LEU A 63 4.613 4.113 3.874 1.00 0.00 C ATOM 598 CG LEU A 63 4.204 5.587 3.838 1.00 0.00 C ATOM 599 CD1 LEU A 63 3.032 5.853 4.785 1.00 0.00 C ATOM 600 CD2 LEU A 63 5.399 6.495 4.135 1.00 0.00 C ATOM 0 H LEU A 63 4.764 1.848 5.489 1.00 0.00 H new ATOM 0 HA LEU A 63 6.554 4.095 4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.069 3.860 2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.711 3.508 3.967 1.00 0.00 H new ATOM 0 HG LEU A 63 3.864 5.823 2.830 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.761 6.908 4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.178 5.246 4.486 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.322 5.595 5.804 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.081 7.537 4.103 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.793 6.266 5.125 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.176 6.330 3.388 1.00 0.00 H new ATOM 612 N TYR A 64 5.950 5.426 6.644 1.00 0.00 N ATOM 613 CA TYR A 64 5.742 6.129 7.898 1.00 0.00 C ATOM 614 C TYR A 64 5.283 7.568 7.651 1.00 0.00 C ATOM 615 O TYR A 64 6.051 8.392 7.156 1.00 0.00 O ATOM 616 CB TYR A 64 7.102 6.153 8.599 1.00 0.00 C ATOM 617 CG TYR A 64 7.286 5.047 9.640 1.00 0.00 C ATOM 618 CD1 TYR A 64 7.640 3.775 9.239 1.00 0.00 C ATOM 619 CD2 TYR A 64 7.097 5.322 10.979 1.00 0.00 C ATOM 620 CE1 TYR A 64 7.813 2.734 10.219 1.00 0.00 C ATOM 621 CE2 TYR A 64 7.270 4.280 11.958 1.00 0.00 C ATOM 622 CZ TYR A 64 7.620 3.038 11.530 1.00 0.00 C ATOM 623 OH TYR A 64 7.783 2.055 12.455 1.00 0.00 O ATOM 0 H TYR A 64 6.663 5.834 6.039 1.00 0.00 H new ATOM 0 HA TYR A 64 4.974 5.634 8.492 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.888 6.065 7.848 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.232 7.120 9.085 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.787 3.560 8.191 1.00 0.00 H new ATOM 0 HD2 TYR A 64 6.820 6.318 11.292 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.090 1.734 9.919 1.00 0.00 H new ATOM 0 HE2 TYR A 64 7.125 4.481 13.009 1.00 0.00 H new ATOM 0 HH TYR A 64 7.614 2.417 13.350 1.00 0.00 H new ATOM 633 N ILE A 65 4.033 7.826 8.007 1.00 0.00 N ATOM 634 CA ILE A 65 3.464 9.151 7.830 1.00 0.00 C ATOM 635 C ILE A 65 2.874 9.629 9.158 1.00 0.00 C ATOM 636 O ILE A 65 1.883 9.078 9.636 1.00 0.00 O ATOM 637 CB ILE A 65 2.460 9.152 6.675 1.00 0.00 C ATOM 638 CG1 ILE A 65 1.716 10.487 6.597 1.00 0.00 C ATOM 639 CG2 ILE A 65 1.499 7.966 6.782 1.00 0.00 C ATOM 640 CD1 ILE A 65 0.725 10.495 5.431 1.00 0.00 C ATOM 0 H ILE A 65 3.399 7.140 8.417 1.00 0.00 H new ATOM 0 HA ILE A 65 4.239 9.865 7.550 1.00 0.00 H new ATOM 0 HB ILE A 65 3.012 9.035 5.742 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.185 10.667 7.532 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.432 11.300 6.476 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.796 7.991 5.949 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.065 7.035 6.752 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.950 8.026 7.722 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.210 11.455 5.398 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.263 10.339 4.496 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.004 9.696 5.568 1.00 0.00 H new ATOM 652 N ASP A 66 3.507 10.650 9.717 1.00 0.00 N ATOM 653 CA ASP A 66 3.057 11.209 10.980 1.00 0.00 C ATOM 654 C ASP A 66 3.547 10.324 12.128 1.00 0.00 C ATOM 655 O ASP A 66 3.087 10.458 13.260 1.00 0.00 O ATOM 656 CB ASP A 66 1.530 11.265 11.045 1.00 0.00 C ATOM 657 CG ASP A 66 0.959 12.428 11.859 1.00 0.00 C ATOM 658 OD1 ASP A 66 -0.016 13.038 11.370 1.00 0.00 O ATOM 659 OD2 ASP A 66 1.511 12.681 12.951 1.00 0.00 O ATOM 0 H ASP A 66 4.328 11.105 9.318 1.00 0.00 H new ATOM 0 HA ASP A 66 3.459 12.219 11.064 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.140 11.327 10.029 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.165 10.330 11.470 1.00 0.00 H new ATOM 664 N GLY A 67 4.475 9.438 11.795 1.00 0.00 N ATOM 665 CA GLY A 67 5.033 8.531 12.783 1.00 0.00 C ATOM 666 C GLY A 67 4.163 7.281 12.933 1.00 0.00 C ATOM 667 O GLY A 67 4.080 6.704 14.016 1.00 0.00 O ATOM 0 H GLY A 67 4.854 9.329 10.854 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.042 8.243 12.488 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.114 9.039 13.744 1.00 0.00 H new ATOM 671 N LYS A 68 3.536 6.900 11.830 1.00 0.00 N ATOM 672 CA LYS A 68 2.675 5.729 11.824 1.00 0.00 C ATOM 673 C LYS A 68 3.387 4.582 11.105 1.00 0.00 C ATOM 674 O LYS A 68 4.456 4.774 10.527 1.00 0.00 O ATOM 675 CB LYS A 68 1.307 6.072 11.231 1.00 0.00 C ATOM 676 CG LYS A 68 1.354 6.061 9.702 1.00 0.00 C ATOM 677 CD LYS A 68 0.379 5.029 9.131 1.00 0.00 C ATOM 678 CE LYS A 68 -1.061 5.356 9.532 1.00 0.00 C ATOM 679 NZ LYS A 68 -1.899 4.136 9.493 1.00 0.00 N ATOM 0 H LYS A 68 3.607 7.382 10.934 1.00 0.00 H new ATOM 0 HA LYS A 68 2.480 5.395 12.843 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.565 5.354 11.581 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.991 7.054 11.582 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.106 7.051 9.320 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.366 5.834 9.367 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.462 5.007 8.044 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.644 4.035 9.491 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.078 5.784 10.534 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.471 6.108 8.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.873 4.375 9.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.897 3.744 8.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.516 3.431 10.154 1.00 0.00 H new ATOM 693 N ARG A 69 2.765 3.413 11.162 1.00 0.00 N ATOM 694 CA ARG A 69 3.326 2.235 10.523 1.00 0.00 C ATOM 695 C ARG A 69 2.228 1.449 9.803 1.00 0.00 C ATOM 696 O ARG A 69 1.308 0.936 10.438 1.00 0.00 O ATOM 697 CB ARG A 69 4.007 1.324 11.547 1.00 0.00 C ATOM 698 CG ARG A 69 4.158 -0.097 11.001 1.00 0.00 C ATOM 699 CD ARG A 69 4.860 -0.091 9.642 1.00 0.00 C ATOM 700 NE ARG A 69 5.923 -1.120 9.616 1.00 0.00 N ATOM 701 CZ ARG A 69 7.027 -1.080 10.374 1.00 0.00 C ATOM 702 NH1 ARG A 69 7.220 -0.061 11.223 1.00 0.00 N ATOM 703 NH2 ARG A 69 7.938 -2.058 10.284 1.00 0.00 N ATOM 0 H ARG A 69 1.878 3.257 11.641 1.00 0.00 H new ATOM 0 HA ARG A 69 4.070 2.572 9.802 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.988 1.726 11.801 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.423 1.304 12.467 1.00 0.00 H new ATOM 0 HG2 ARG A 69 4.728 -0.702 11.706 1.00 0.00 H new ATOM 0 HG3 ARG A 69 3.176 -0.560 10.905 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.137 -0.283 8.849 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.290 0.892 9.450 1.00 0.00 H new ATOM 0 HE ARG A 69 5.808 -1.910 8.981 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.526 0.684 11.292 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.060 -0.030 11.800 1.00 0.00 H new ATOM 0 HH21 ARG A 69 7.791 -2.834 9.638 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.778 -2.027 10.861 1.00 0.00 H new ATOM 717 N LEU A 70 2.361 1.380 8.486 1.00 0.00 N ATOM 718 CA LEU A 70 1.393 0.665 7.672 1.00 0.00 C ATOM 719 C LEU A 70 2.130 -0.168 6.623 1.00 0.00 C ATOM 720 O LEU A 70 3.343 -0.039 6.463 1.00 0.00 O ATOM 721 CB LEU A 70 0.371 1.637 7.079 1.00 0.00 C ATOM 722 CG LEU A 70 0.833 2.433 5.856 1.00 0.00 C ATOM 723 CD1 LEU A 70 -0.347 2.771 4.944 1.00 0.00 C ATOM 724 CD2 LEU A 70 1.609 3.683 6.277 1.00 0.00 C ATOM 0 H LEU A 70 3.125 1.808 7.963 1.00 0.00 H new ATOM 0 HA LEU A 70 0.820 -0.030 8.285 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.521 1.073 6.805 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.076 2.342 7.856 1.00 0.00 H new ATOM 0 HG LEU A 70 1.516 1.809 5.280 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.009 3.337 4.083 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.819 1.850 4.603 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.073 3.368 5.495 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.926 4.231 5.389 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.969 4.320 6.887 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.486 3.390 6.855 1.00 0.00 H new ATOM 736 N HIS A 71 1.367 -1.005 5.934 1.00 0.00 N ATOM 737 CA HIS A 71 1.934 -1.859 4.905 1.00 0.00 C ATOM 738 C HIS A 71 1.458 -1.388 3.529 1.00 0.00 C ATOM 739 O HIS A 71 0.268 -1.452 3.224 1.00 0.00 O ATOM 740 CB HIS A 71 1.604 -3.328 5.176 1.00 0.00 C ATOM 741 CG HIS A 71 0.409 -3.841 4.407 1.00 0.00 C ATOM 742 ND1 HIS A 71 -0.887 -3.438 4.680 1.00 0.00 N ATOM 743 CD2 HIS A 71 0.328 -4.727 3.373 1.00 0.00 C ATOM 744 CE1 HIS A 71 -1.703 -4.060 3.842 1.00 0.00 C ATOM 745 NE2 HIS A 71 -0.949 -4.859 3.033 1.00 0.00 N ATOM 0 H HIS A 71 0.361 -1.109 6.069 1.00 0.00 H new ATOM 0 HA HIS A 71 3.021 -1.783 4.921 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.473 -3.937 4.926 1.00 0.00 H new ATOM 0 HB3 HIS A 71 1.420 -3.458 6.242 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.161 -5.235 2.910 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -2.777 -3.953 3.806 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -1.307 -5.459 2.290 1.00 0.00 H new ATOM 753 N ILE A 72 2.412 -0.926 2.734 1.00 0.00 N ATOM 754 CA ILE A 72 2.106 -0.445 1.398 1.00 0.00 C ATOM 755 C ILE A 72 2.748 -1.375 0.366 1.00 0.00 C ATOM 756 O ILE A 72 3.599 -2.194 0.708 1.00 0.00 O ATOM 757 CB ILE A 72 2.520 1.020 1.247 1.00 0.00 C ATOM 758 CG1 ILE A 72 3.995 1.212 1.605 1.00 0.00 C ATOM 759 CG2 ILE A 72 1.608 1.934 2.067 1.00 0.00 C ATOM 760 CD1 ILE A 72 4.619 2.335 0.774 1.00 0.00 C ATOM 0 H ILE A 72 3.398 -0.875 2.990 1.00 0.00 H new ATOM 0 HA ILE A 72 1.030 -0.467 1.223 1.00 0.00 H new ATOM 0 HB ILE A 72 2.403 1.302 0.201 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.088 1.445 2.666 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.538 0.283 1.434 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.924 2.970 1.942 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.579 1.824 1.724 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.670 1.660 3.120 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.668 2.451 1.048 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.546 2.088 -0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.089 3.268 0.966 1.00 0.00 H new ATOM 772 N SER A 73 2.315 -1.217 -0.876 1.00 0.00 N ATOM 773 CA SER A 73 2.836 -2.032 -1.960 1.00 0.00 C ATOM 774 C SER A 73 4.322 -1.735 -2.170 1.00 0.00 C ATOM 775 O SER A 73 4.760 -0.596 -2.008 1.00 0.00 O ATOM 776 CB SER A 73 2.059 -1.790 -3.255 1.00 0.00 C ATOM 777 OG SER A 73 1.425 -2.976 -3.727 1.00 0.00 O ATOM 0 H SER A 73 1.609 -0.536 -1.156 1.00 0.00 H new ATOM 0 HA SER A 73 2.716 -3.080 -1.687 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.307 -1.019 -3.088 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.738 -1.413 -4.020 1.00 0.00 H new ATOM 0 HG SER A 73 0.938 -2.779 -4.554 1.00 0.00 H new ATOM 783 N GLU A 74 5.058 -2.777 -2.527 1.00 0.00 N ATOM 784 CA GLU A 74 6.485 -2.642 -2.760 1.00 0.00 C ATOM 785 C GLU A 74 6.755 -1.516 -3.760 1.00 0.00 C ATOM 786 O GLU A 74 7.478 -0.569 -3.454 1.00 0.00 O ATOM 787 CB GLU A 74 7.089 -3.962 -3.244 1.00 0.00 C ATOM 788 CG GLU A 74 7.724 -4.732 -2.085 1.00 0.00 C ATOM 789 CD GLU A 74 9.229 -4.906 -2.301 1.00 0.00 C ATOM 790 OE1 GLU A 74 9.671 -6.075 -2.299 1.00 0.00 O ATOM 791 OE2 GLU A 74 9.903 -3.866 -2.462 1.00 0.00 O ATOM 0 H GLU A 74 4.692 -3.720 -2.661 1.00 0.00 H new ATOM 0 HA GLU A 74 6.965 -2.386 -1.816 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.314 -4.572 -3.709 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.840 -3.764 -4.008 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.546 -4.201 -1.150 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.251 -5.710 -1.991 1.00 0.00 H new ATOM 798 N GLU A 75 6.159 -1.656 -4.935 1.00 0.00 N ATOM 799 CA GLU A 75 6.326 -0.662 -5.982 1.00 0.00 C ATOM 800 C GLU A 75 5.832 0.703 -5.501 1.00 0.00 C ATOM 801 O GLU A 75 6.455 1.726 -5.779 1.00 0.00 O ATOM 802 CB GLU A 75 5.604 -1.088 -7.262 1.00 0.00 C ATOM 803 CG GLU A 75 4.090 -1.140 -7.046 1.00 0.00 C ATOM 804 CD GLU A 75 3.428 -2.102 -8.035 1.00 0.00 C ATOM 805 OE1 GLU A 75 2.674 -1.599 -8.896 1.00 0.00 O ATOM 806 OE2 GLU A 75 3.692 -3.317 -7.908 1.00 0.00 O ATOM 0 H GLU A 75 5.560 -2.443 -5.185 1.00 0.00 H new ATOM 0 HA GLU A 75 7.388 -0.581 -6.214 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.837 -0.389 -8.065 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.964 -2.067 -7.578 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.875 -1.457 -6.026 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.667 -0.142 -7.165 1.00 0.00 H new ATOM 813 N ASP A 76 4.715 0.675 -4.788 1.00 0.00 N ATOM 814 CA ASP A 76 4.130 1.898 -4.266 1.00 0.00 C ATOM 815 C ASP A 76 5.080 2.515 -3.237 1.00 0.00 C ATOM 816 O ASP A 76 5.119 3.733 -3.075 1.00 0.00 O ATOM 817 CB ASP A 76 2.796 1.618 -3.571 1.00 0.00 C ATOM 818 CG ASP A 76 1.565 2.184 -4.280 1.00 0.00 C ATOM 819 OD1 ASP A 76 0.448 1.785 -3.884 1.00 0.00 O ATOM 820 OD2 ASP A 76 1.768 3.003 -5.202 1.00 0.00 O ATOM 0 H ASP A 76 4.200 -0.175 -4.560 1.00 0.00 H new ATOM 0 HA ASP A 76 3.965 2.576 -5.103 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.675 0.539 -3.471 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.836 2.029 -2.562 1.00 0.00 H new ATOM 825 N ALA A 77 5.822 1.644 -2.569 1.00 0.00 N ATOM 826 CA ALA A 77 6.769 2.088 -1.560 1.00 0.00 C ATOM 827 C ALA A 77 7.948 2.783 -2.243 1.00 0.00 C ATOM 828 O ALA A 77 8.561 3.682 -1.670 1.00 0.00 O ATOM 829 CB ALA A 77 7.208 0.892 -0.712 1.00 0.00 C ATOM 0 H ALA A 77 5.787 0.634 -2.706 1.00 0.00 H new ATOM 0 HA ALA A 77 6.305 2.811 -0.889 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.918 1.224 0.045 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.338 0.452 -0.225 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.681 0.147 -1.351 1.00 0.00 H new ATOM 835 N GLN A 78 8.230 2.340 -3.460 1.00 0.00 N ATOM 836 CA GLN A 78 9.325 2.908 -4.228 1.00 0.00 C ATOM 837 C GLN A 78 8.914 4.260 -4.817 1.00 0.00 C ATOM 838 O GLN A 78 9.716 5.191 -4.860 1.00 0.00 O ATOM 839 CB GLN A 78 9.781 1.947 -5.327 1.00 0.00 C ATOM 840 CG GLN A 78 11.165 2.332 -5.853 1.00 0.00 C ATOM 841 CD GLN A 78 12.184 2.399 -4.713 1.00 0.00 C ATOM 842 OE1 GLN A 78 12.581 1.398 -4.140 1.00 0.00 O ATOM 843 NE2 GLN A 78 12.585 3.633 -4.419 1.00 0.00 N ATOM 0 H GLN A 78 7.719 1.594 -3.933 1.00 0.00 H new ATOM 0 HA GLN A 78 10.170 3.067 -3.557 1.00 0.00 H new ATOM 0 HB2 GLN A 78 9.806 0.929 -4.937 1.00 0.00 H new ATOM 0 HB3 GLN A 78 9.061 1.957 -6.146 1.00 0.00 H new ATOM 0 HG2 GLN A 78 11.492 1.604 -6.596 1.00 0.00 H new ATOM 0 HG3 GLN A 78 11.112 3.298 -6.356 1.00 0.00 H new ATOM 0 HE21 GLN A 78 12.212 4.428 -4.939 1.00 0.00 H new ATOM 0 HE22 GLN A 78 13.265 3.784 -3.674 1.00 0.00 H new ATOM 852 N ARG A 79 7.666 4.323 -5.256 1.00 0.00 N ATOM 853 CA ARG A 79 7.139 5.545 -5.841 1.00 0.00 C ATOM 854 C ARG A 79 7.051 6.645 -4.781 1.00 0.00 C ATOM 855 O ARG A 79 7.212 7.824 -5.091 1.00 0.00 O ATOM 856 CB ARG A 79 5.752 5.314 -6.443 1.00 0.00 C ATOM 857 CG ARG A 79 5.794 5.415 -7.970 1.00 0.00 C ATOM 858 CD ARG A 79 4.387 5.324 -8.564 1.00 0.00 C ATOM 859 NE ARG A 79 4.312 6.116 -9.811 1.00 0.00 N ATOM 860 CZ ARG A 79 4.682 5.659 -11.015 1.00 0.00 C ATOM 861 NH1 ARG A 79 5.156 4.411 -11.141 1.00 0.00 N ATOM 862 NH2 ARG A 79 4.580 6.448 -12.093 1.00 0.00 N ATOM 0 H ARG A 79 7.004 3.548 -5.219 1.00 0.00 H new ATOM 0 HA ARG A 79 7.820 5.853 -6.635 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.383 4.331 -6.150 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.052 6.049 -6.045 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.256 6.358 -8.263 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.416 4.616 -8.374 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.137 4.283 -8.769 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.655 5.692 -7.845 1.00 0.00 H new ATOM 0 HE ARG A 79 3.956 7.070 -9.751 1.00 0.00 H new ATOM 0 HH11 ARG A 79 5.235 3.810 -10.321 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.438 4.063 -12.057 1.00 0.00 H new ATOM 0 HH21 ARG A 79 4.220 7.398 -11.998 1.00 0.00 H new ATOM 0 HH22 ARG A 79 4.862 6.099 -13.009 1.00 0.00 H new ATOM 876 N LEU A 80 6.794 6.220 -3.553 1.00 0.00 N ATOM 877 CA LEU A 80 6.682 7.154 -2.446 1.00 0.00 C ATOM 878 C LEU A 80 7.970 7.974 -2.343 1.00 0.00 C ATOM 879 O LEU A 80 7.924 9.196 -2.207 1.00 0.00 O ATOM 880 CB LEU A 80 6.319 6.416 -1.156 1.00 0.00 C ATOM 881 CG LEU A 80 5.144 6.991 -0.362 1.00 0.00 C ATOM 882 CD1 LEU A 80 4.472 5.908 0.484 1.00 0.00 C ATOM 883 CD2 LEU A 80 5.587 8.186 0.485 1.00 0.00 C ATOM 0 H LEU A 80 6.660 5.241 -3.300 1.00 0.00 H new ATOM 0 HA LEU A 80 5.869 7.858 -2.623 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.091 5.380 -1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.196 6.402 -0.510 1.00 0.00 H new ATOM 0 HG LEU A 80 4.400 7.356 -1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.640 6.343 1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.100 5.117 -0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.196 5.492 1.184 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.733 8.576 1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.360 7.869 1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.984 8.966 -0.165 1.00 0.00 H new ATOM 895 N VAL A 81 9.090 7.269 -2.413 1.00 0.00 N ATOM 896 CA VAL A 81 10.388 7.916 -2.330 1.00 0.00 C ATOM 897 C VAL A 81 10.592 8.800 -3.562 1.00 0.00 C ATOM 898 O VAL A 81 10.947 9.971 -3.439 1.00 0.00 O ATOM 899 CB VAL A 81 11.486 6.864 -2.160 1.00 0.00 C ATOM 900 CG1 VAL A 81 12.832 7.391 -2.664 1.00 0.00 C ATOM 901 CG2 VAL A 81 11.587 6.408 -0.703 1.00 0.00 C ATOM 0 H VAL A 81 9.125 6.256 -2.526 1.00 0.00 H new ATOM 0 HA VAL A 81 10.438 8.563 -1.454 1.00 0.00 H new ATOM 0 HB VAL A 81 11.217 5.998 -2.764 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.595 6.624 -2.532 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.751 7.644 -3.721 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.109 8.280 -2.098 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.375 5.660 -0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.822 7.263 -0.069 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.637 5.975 -0.391 1.00 0.00 H new ATOM 911 N VAL A 82 10.360 8.205 -4.723 1.00 0.00 N ATOM 912 CA VAL A 82 10.514 8.923 -5.977 1.00 0.00 C ATOM 913 C VAL A 82 9.734 10.238 -5.905 1.00 0.00 C ATOM 914 O VAL A 82 10.168 11.252 -6.450 1.00 0.00 O ATOM 915 CB VAL A 82 10.083 8.035 -7.145 1.00 0.00 C ATOM 916 CG1 VAL A 82 9.931 8.854 -8.429 1.00 0.00 C ATOM 917 CG2 VAL A 82 11.064 6.878 -7.346 1.00 0.00 C ATOM 0 H VAL A 82 10.066 7.233 -4.822 1.00 0.00 H new ATOM 0 HA VAL A 82 11.561 9.175 -6.148 1.00 0.00 H new ATOM 0 HB VAL A 82 9.109 7.610 -6.901 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.624 8.199 -9.244 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.177 9.627 -8.281 1.00 0.00 H new ATOM 0 HG13 VAL A 82 10.884 9.321 -8.678 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.734 6.262 -8.183 1.00 0.00 H new ATOM 0 HG22 VAL A 82 12.057 7.275 -7.557 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.101 6.271 -6.441 1.00 0.00 H new ATOM 927 N ALA A 83 8.596 10.178 -5.229 1.00 0.00 N ATOM 928 CA ALA A 83 7.752 11.351 -5.079 1.00 0.00 C ATOM 929 C ALA A 83 8.510 12.423 -4.294 1.00 0.00 C ATOM 930 O ALA A 83 8.217 13.611 -4.416 1.00 0.00 O ATOM 931 CB ALA A 83 6.439 10.951 -4.402 1.00 0.00 C ATOM 0 H ALA A 83 8.239 9.335 -4.779 1.00 0.00 H new ATOM 0 HA ALA A 83 7.502 11.772 -6.053 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.805 11.831 -4.289 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.925 10.210 -5.014 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.650 10.528 -3.420 1.00 0.00 H new ATOM 937 N GLY A 84 9.470 11.964 -3.504 1.00 0.00 N ATOM 938 CA GLY A 84 10.273 12.869 -2.699 1.00 0.00 C ATOM 939 C GLY A 84 10.379 12.371 -1.256 1.00 0.00 C ATOM 940 O GLY A 84 11.092 12.959 -0.444 1.00 0.00 O ATOM 0 H GLY A 84 9.710 10.978 -3.404 1.00 0.00 H new ATOM 0 HA2 GLY A 84 11.270 12.958 -3.131 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.829 13.864 -2.712 1.00 0.00 H new ATOM 944 N ALA A 85 9.659 11.293 -0.981 1.00 0.00 N ATOM 945 CA ALA A 85 9.664 10.710 0.350 1.00 0.00 C ATOM 946 C ALA A 85 11.060 10.165 0.658 1.00 0.00 C ATOM 947 O ALA A 85 11.788 9.763 -0.248 1.00 0.00 O ATOM 948 CB ALA A 85 8.584 9.629 0.437 1.00 0.00 C ATOM 0 H ALA A 85 9.069 10.808 -1.657 1.00 0.00 H new ATOM 0 HA ALA A 85 9.432 11.465 1.101 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.587 9.191 1.435 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.608 10.073 0.238 1.00 0.00 H new ATOM 0 HB3 ALA A 85 8.786 8.852 -0.301 1.00 0.00 H new ATOM 954 N GLU A 86 11.392 10.170 1.941 1.00 0.00 N ATOM 955 CA GLU A 86 12.688 9.681 2.381 1.00 0.00 C ATOM 956 C GLU A 86 12.809 8.180 2.110 1.00 0.00 C ATOM 957 O GLU A 86 11.811 7.461 2.126 1.00 0.00 O ATOM 958 CB GLU A 86 12.918 9.992 3.861 1.00 0.00 C ATOM 959 CG GLU A 86 14.243 10.728 4.067 1.00 0.00 C ATOM 960 CD GLU A 86 14.263 12.049 3.296 1.00 0.00 C ATOM 961 OE1 GLU A 86 14.773 12.033 2.155 1.00 0.00 O ATOM 962 OE2 GLU A 86 13.767 13.046 3.864 1.00 0.00 O ATOM 0 H GLU A 86 10.786 10.505 2.690 1.00 0.00 H new ATOM 0 HA GLU A 86 13.461 10.196 1.811 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.097 10.601 4.240 1.00 0.00 H new ATOM 0 HB3 GLU A 86 12.920 9.065 4.435 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.395 10.921 5.129 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.068 10.097 3.736 1.00 0.00 H new ATOM 969 N ASP A 87 14.039 7.752 1.869 1.00 0.00 N ATOM 970 CA ASP A 87 14.304 6.350 1.596 1.00 0.00 C ATOM 971 C ASP A 87 15.287 5.809 2.635 1.00 0.00 C ATOM 972 O ASP A 87 16.468 6.153 2.616 1.00 0.00 O ATOM 973 CB ASP A 87 14.930 6.167 0.212 1.00 0.00 C ATOM 974 CG ASP A 87 14.458 4.929 -0.553 1.00 0.00 C ATOM 975 OD1 ASP A 87 13.844 4.058 0.100 1.00 0.00 O ATOM 976 OD2 ASP A 87 14.722 4.881 -1.774 1.00 0.00 O ATOM 0 H ASP A 87 14.864 8.352 1.857 1.00 0.00 H new ATOM 0 HA ASP A 87 13.356 5.814 1.637 1.00 0.00 H new ATOM 0 HB2 ASP A 87 14.713 7.051 -0.388 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.013 6.115 0.324 1.00 0.00 H new ATOM 981 N GLN A 88 14.764 4.971 3.518 1.00 0.00 N ATOM 982 CA GLN A 88 15.582 4.379 4.563 1.00 0.00 C ATOM 983 C GLN A 88 15.544 2.852 4.466 1.00 0.00 C ATOM 984 O GLN A 88 16.325 2.165 5.123 1.00 0.00 O ATOM 985 CB GLN A 88 15.130 4.852 5.947 1.00 0.00 C ATOM 986 CG GLN A 88 14.825 6.351 5.941 1.00 0.00 C ATOM 987 CD GLN A 88 16.034 7.154 5.456 1.00 0.00 C ATOM 988 OE1 GLN A 88 17.148 6.663 5.381 1.00 0.00 O ATOM 989 NE2 GLN A 88 15.752 8.413 5.133 1.00 0.00 N ATOM 0 H GLN A 88 13.784 4.688 3.531 1.00 0.00 H new ATOM 0 HA GLN A 88 16.612 4.707 4.421 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.243 4.298 6.253 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.908 4.638 6.680 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.969 6.549 5.295 1.00 0.00 H new ATOM 0 HG3 GLN A 88 14.548 6.674 6.945 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.797 8.760 5.220 1.00 0.00 H new ATOM 0 HE22 GLN A 88 16.491 9.031 4.799 1.00 0.00 H new ATOM 998 N ARG A 89 14.627 2.366 3.642 1.00 0.00 N ATOM 999 CA ARG A 89 14.477 0.934 3.451 1.00 0.00 C ATOM 1000 C ARG A 89 15.837 0.290 3.173 1.00 0.00 C ATOM 1001 O ARG A 89 16.164 -0.749 3.744 1.00 0.00 O ATOM 1002 CB ARG A 89 13.530 0.629 2.289 1.00 0.00 C ATOM 1003 CG ARG A 89 12.437 -0.354 2.715 1.00 0.00 C ATOM 1004 CD ARG A 89 12.946 -1.796 2.662 1.00 0.00 C ATOM 1005 NE ARG A 89 13.222 -2.183 1.260 1.00 0.00 N ATOM 1006 CZ ARG A 89 13.743 -3.363 0.896 1.00 0.00 C ATOM 1007 NH1 ARG A 89 14.047 -4.277 1.827 1.00 0.00 N ATOM 1008 NH2 ARG A 89 13.960 -3.629 -0.399 1.00 0.00 N ATOM 0 H ARG A 89 13.981 2.939 3.099 1.00 0.00 H new ATOM 0 HA ARG A 89 14.055 0.520 4.367 1.00 0.00 H new ATOM 0 HB2 ARG A 89 13.074 1.554 1.934 1.00 0.00 H new ATOM 0 HB3 ARG A 89 14.094 0.212 1.455 1.00 0.00 H new ATOM 0 HG2 ARG A 89 12.105 -0.119 3.726 1.00 0.00 H new ATOM 0 HG3 ARG A 89 11.571 -0.246 2.062 1.00 0.00 H new ATOM 0 HD2 ARG A 89 13.852 -1.893 3.260 1.00 0.00 H new ATOM 0 HD3 ARG A 89 12.205 -2.468 3.095 1.00 0.00 H new ATOM 0 HE ARG A 89 13.002 -1.510 0.526 1.00 0.00 H new ATOM 0 HH11 ARG A 89 13.882 -4.075 2.813 1.00 0.00 H new ATOM 0 HH12 ARG A 89 14.443 -5.175 1.550 1.00 0.00 H new ATOM 0 HH21 ARG A 89 13.729 -2.933 -1.108 1.00 0.00 H new ATOM 0 HH22 ARG A 89 14.357 -4.527 -0.676 1.00 0.00 H new ATOM 1022 N ARG A 90 16.593 0.934 2.297 1.00 0.00 N ATOM 1023 CA ARG A 90 17.910 0.438 1.936 1.00 0.00 C ATOM 1024 C ARG A 90 18.560 1.358 0.901 1.00 0.00 C ATOM 1025 O ARG A 90 19.660 1.863 1.119 1.00 0.00 O ATOM 1026 CB ARG A 90 17.828 -0.980 1.367 1.00 0.00 C ATOM 1027 CG ARG A 90 19.152 -1.724 1.553 1.00 0.00 C ATOM 1028 CD ARG A 90 19.025 -2.809 2.623 1.00 0.00 C ATOM 1029 NE ARG A 90 20.269 -2.879 3.423 1.00 0.00 N ATOM 1030 CZ ARG A 90 21.416 -3.414 2.982 1.00 0.00 C ATOM 1031 NH1 ARG A 90 21.484 -3.928 1.747 1.00 0.00 N ATOM 1032 NH2 ARG A 90 22.495 -3.434 3.777 1.00 0.00 N ATOM 0 H ARG A 90 16.318 1.796 1.826 1.00 0.00 H new ATOM 0 HA ARG A 90 18.516 0.420 2.842 1.00 0.00 H new ATOM 0 HB2 ARG A 90 17.026 -1.528 1.862 1.00 0.00 H new ATOM 0 HB3 ARG A 90 17.577 -0.936 0.307 1.00 0.00 H new ATOM 0 HG2 ARG A 90 19.456 -2.174 0.608 1.00 0.00 H new ATOM 0 HG3 ARG A 90 19.933 -1.018 1.836 1.00 0.00 H new ATOM 0 HD2 ARG A 90 18.177 -2.593 3.273 1.00 0.00 H new ATOM 0 HD3 ARG A 90 18.830 -3.773 2.154 1.00 0.00 H new ATOM 0 HE ARG A 90 20.252 -2.496 4.368 1.00 0.00 H new ATOM 0 HH11 ARG A 90 20.663 -3.912 1.142 1.00 0.00 H new ATOM 0 HH12 ARG A 90 22.357 -4.335 1.411 1.00 0.00 H new ATOM 0 HH21 ARG A 90 22.443 -3.042 4.717 1.00 0.00 H new ATOM 0 HH22 ARG A 90 23.368 -3.841 3.442 1.00 0.00 H new ATOM 1046 N HIS A 91 17.851 1.549 -0.202 1.00 0.00 N ATOM 1047 CA HIS A 91 18.345 2.400 -1.271 1.00 0.00 C ATOM 1048 C HIS A 91 17.266 2.554 -2.345 1.00 0.00 C ATOM 1049 O HIS A 91 16.274 1.826 -2.342 1.00 0.00 O ATOM 1050 CB HIS A 91 19.664 1.862 -1.828 1.00 0.00 C ATOM 1051 CG HIS A 91 19.505 1.002 -3.060 1.00 0.00 C ATOM 1052 ND1 HIS A 91 18.633 -0.011 -3.333 1.00 0.00 N flip ATOM 1053 CD2 HIS A 91 20.303 1.144 -4.181 1.00 0.00 C flip ATOM 1054 CE1 HIS A 91 18.885 -0.462 -4.556 1.00 0.00 C flip ATOM 1055 NE2 HIS A 91 19.920 0.253 -5.083 1.00 0.00 N flip ATOM 0 H HIS A 91 16.938 1.129 -0.378 1.00 0.00 H new ATOM 0 HA HIS A 91 18.562 3.394 -0.879 1.00 0.00 H new ATOM 0 HB2 HIS A 91 20.316 2.703 -2.066 1.00 0.00 H new ATOM 0 HB3 HIS A 91 20.163 1.280 -1.053 1.00 0.00 H new ATOM 0 HD2 HIS A 91 21.103 1.860 -4.300 1.00 0.00 H new ATOM 0 HE1 HIS A 91 18.357 -1.263 -5.052 1.00 0.00 H new ATOM 0 HE2 HIS A 91 20.328 0.124 -6.009 1.00 0.00 H new ATOM 1063 N LEU A 92 17.496 3.505 -3.238 1.00 0.00 N ATOM 1064 CA LEU A 92 16.556 3.763 -4.315 1.00 0.00 C ATOM 1065 C LEU A 92 16.795 2.761 -5.446 1.00 0.00 C ATOM 1066 O LEU A 92 17.940 2.475 -5.795 1.00 0.00 O ATOM 1067 CB LEU A 92 16.641 5.224 -4.761 1.00 0.00 C ATOM 1068 CG LEU A 92 15.423 6.094 -4.442 1.00 0.00 C ATOM 1069 CD1 LEU A 92 15.804 7.252 -3.517 1.00 0.00 C ATOM 1070 CD2 LEU A 92 14.748 6.584 -5.724 1.00 0.00 C ATOM 0 H LEU A 92 18.320 4.106 -3.238 1.00 0.00 H new ATOM 0 HA LEU A 92 15.532 3.617 -3.970 1.00 0.00 H new ATOM 0 HB2 LEU A 92 17.517 5.675 -4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 92 16.806 5.245 -5.838 1.00 0.00 H new ATOM 0 HG LEU A 92 14.696 5.481 -3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 92 14.921 7.855 -3.306 1.00 0.00 H new ATOM 0 HD12 LEU A 92 16.204 6.856 -2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 92 16.559 7.872 -4.002 1.00 0.00 H new ATOM 0 HD21 LEU A 92 13.886 7.200 -5.469 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.456 7.174 -6.305 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.420 5.727 -6.313 1.00 0.00 H new ATOM 1082 N MET A 93 15.697 2.254 -5.986 1.00 0.00 N ATOM 1083 CA MET A 93 15.773 1.289 -7.070 1.00 0.00 C ATOM 1084 C MET A 93 16.092 1.980 -8.397 1.00 0.00 C ATOM 1085 O MET A 93 17.014 1.577 -9.105 1.00 0.00 O ATOM 1086 CB MET A 93 14.439 0.548 -7.188 1.00 0.00 C ATOM 1087 CG MET A 93 14.441 -0.723 -6.335 1.00 0.00 C ATOM 1088 SD MET A 93 14.358 -2.163 -7.386 1.00 0.00 S ATOM 1089 CE MET A 93 14.119 -3.432 -6.154 1.00 0.00 C ATOM 0 H MET A 93 14.750 2.493 -5.693 1.00 0.00 H new ATOM 0 HA MET A 93 16.573 0.583 -6.848 1.00 0.00 H new ATOM 0 HB2 MET A 93 13.626 1.202 -6.871 1.00 0.00 H new ATOM 0 HB3 MET A 93 14.253 0.290 -8.231 1.00 0.00 H new ATOM 0 HG2 MET A 93 15.343 -0.760 -5.724 1.00 0.00 H new ATOM 0 HG3 MET A 93 13.593 -0.713 -5.650 1.00 0.00 H new ATOM 0 HE1 MET A 93 14.046 -4.404 -6.642 1.00 0.00 H new ATOM 0 HE2 MET A 93 14.964 -3.434 -5.465 1.00 0.00 H new ATOM 0 HE3 MET A 93 13.201 -3.234 -5.601 1.00 0.00 H new ATOM 1099 N ALA A 94 15.311 3.008 -8.696 1.00 0.00 N ATOM 1100 CA ALA A 94 15.500 3.758 -9.926 1.00 0.00 C ATOM 1101 C ALA A 94 16.662 4.737 -9.748 1.00 0.00 C ATOM 1102 O ALA A 94 16.889 5.244 -8.650 1.00 0.00 O ATOM 1103 CB ALA A 94 14.194 4.464 -10.298 1.00 0.00 C ATOM 0 H ALA A 94 14.546 3.339 -8.108 1.00 0.00 H new ATOM 0 HA ALA A 94 15.756 3.090 -10.748 1.00 0.00 H new ATOM 0 HB1 ALA A 94 14.335 5.027 -11.221 1.00 0.00 H new ATOM 0 HB2 ALA A 94 13.408 3.723 -10.442 1.00 0.00 H new ATOM 0 HB3 ALA A 94 13.908 5.146 -9.497 1.00 0.00 H new ATOM 1109 N ASP A 95 17.367 4.975 -10.844 1.00 0.00 N ATOM 1110 CA ASP A 95 18.500 5.884 -10.823 1.00 0.00 C ATOM 1111 C ASP A 95 18.332 6.927 -11.930 1.00 0.00 C ATOM 1112 O ASP A 95 18.399 6.598 -13.113 1.00 0.00 O ATOM 1113 CB ASP A 95 19.811 5.136 -11.073 1.00 0.00 C ATOM 1114 CG ASP A 95 20.708 4.975 -9.844 1.00 0.00 C ATOM 1115 OD1 ASP A 95 21.913 5.282 -9.977 1.00 0.00 O ATOM 1116 OD2 ASP A 95 20.169 4.549 -8.800 1.00 0.00 O ATOM 0 H ASP A 95 17.175 4.554 -11.753 1.00 0.00 H new ATOM 0 HA ASP A 95 18.536 6.356 -9.841 1.00 0.00 H new ATOM 0 HB2 ASP A 95 19.578 4.146 -11.466 1.00 0.00 H new ATOM 0 HB3 ASP A 95 20.371 5.663 -11.846 1.00 0.00 H new ATOM 1121 N ASP A 96 18.117 8.164 -11.506 1.00 0.00 N ATOM 1122 CA ASP A 96 17.939 9.257 -12.447 1.00 0.00 C ATOM 1123 C ASP A 96 18.807 10.441 -12.016 1.00 0.00 C ATOM 1124 O ASP A 96 18.712 10.903 -10.880 1.00 0.00 O ATOM 1125 CB ASP A 96 16.482 9.725 -12.478 1.00 0.00 C ATOM 1126 CG ASP A 96 15.627 9.103 -13.584 1.00 0.00 C ATOM 1127 OD1 ASP A 96 14.870 8.164 -13.255 1.00 0.00 O ATOM 1128 OD2 ASP A 96 15.750 9.580 -14.732 1.00 0.00 O ATOM 0 H ASP A 96 18.062 8.433 -10.524 1.00 0.00 H new ATOM 0 HA ASP A 96 18.224 8.900 -13.437 1.00 0.00 H new ATOM 0 HB2 ASP A 96 16.023 9.500 -11.515 1.00 0.00 H new ATOM 0 HB3 ASP A 96 16.466 10.809 -12.593 1.00 0.00 H new TER 1133 ASP A 96