USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 506 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 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.0119 X(o=-0.012,f=-0.02) USER MOD Single : A 34 CYS SG : rot -44:sc= -1.44! USER MOD Single : A 35 SER OG : rot 180:sc= -0.0611 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.366 X(o=-0.37,f=-0.15) USER MOD Single : A 49 SER OG : rot -51:sc= 0.206 USER MOD Single : A 54 THR OG1 : rot -160:sc= -2.33 USER MOD Single : A 61 SER OG : rot 170:sc= -2.51! USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= -0.922 K(o=-0.92,f=-2.4) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.591 X(o=-0.59,f=-0.58) USER MOD Single : A 88 GLN : amide:sc= -4.21! C(o=-4.2!,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 -4.994 -0.431 1.056 1.00 0.00 N ATOM 2 CA MET A 23 -4.207 0.646 1.633 1.00 0.00 C ATOM 3 C MET A 23 -3.117 1.108 0.664 1.00 0.00 C ATOM 4 O MET A 23 -1.929 0.995 0.962 1.00 0.00 O ATOM 5 CB MET A 23 -3.564 0.167 2.936 1.00 0.00 C ATOM 6 CG MET A 23 -4.623 -0.077 4.013 1.00 0.00 C ATOM 7 SD MET A 23 -4.178 -1.500 4.995 1.00 0.00 S ATOM 8 CE MET A 23 -4.894 -2.799 4.001 1.00 0.00 C ATOM 0 HA MET A 23 -4.869 1.488 1.833 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.007 -0.752 2.754 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.848 0.910 3.287 1.00 0.00 H new ATOM 0 HG2 MET A 23 -4.714 0.802 4.651 1.00 0.00 H new ATOM 0 HG3 MET A 23 -5.596 -0.235 3.549 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.707 -3.763 4.473 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.969 -2.640 3.914 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.444 -2.788 3.008 1.00 0.00 H new ATOM 18 N SER A 24 -3.560 1.618 -0.476 1.00 0.00 N ATOM 19 CA SER A 24 -2.636 2.097 -1.490 1.00 0.00 C ATOM 20 C SER A 24 -2.293 3.566 -1.233 1.00 0.00 C ATOM 21 O SER A 24 -3.186 4.401 -1.098 1.00 0.00 O ATOM 22 CB SER A 24 -3.221 1.926 -2.893 1.00 0.00 C ATOM 23 OG SER A 24 -2.878 0.666 -3.465 1.00 0.00 O ATOM 0 H SER A 24 -4.546 1.710 -0.720 1.00 0.00 H new ATOM 0 HA SER A 24 -1.725 1.502 -1.431 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.306 2.020 -2.847 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.858 2.727 -3.537 1.00 0.00 H new ATOM 0 HG SER A 24 -3.272 0.595 -4.360 1.00 0.00 H new ATOM 29 N ILE A 25 -0.998 3.837 -1.174 1.00 0.00 N ATOM 30 CA ILE A 25 -0.526 5.190 -0.936 1.00 0.00 C ATOM 31 C ILE A 25 -0.429 5.934 -2.270 1.00 0.00 C ATOM 32 O ILE A 25 0.089 5.397 -3.248 1.00 0.00 O ATOM 33 CB ILE A 25 0.785 5.170 -0.147 1.00 0.00 C ATOM 34 CG1 ILE A 25 1.907 4.529 -0.965 1.00 0.00 C ATOM 35 CG2 ILE A 25 0.598 4.484 1.207 1.00 0.00 C ATOM 36 CD1 ILE A 25 2.754 5.595 -1.665 1.00 0.00 C ATOM 0 H ILE A 25 -0.260 3.142 -1.287 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.236 5.737 -0.316 1.00 0.00 H new ATOM 0 HB ILE A 25 1.081 6.200 0.052 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.540 3.928 -0.312 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.481 3.853 -1.707 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.544 4.483 1.748 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.151 5.023 1.787 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.268 3.457 1.052 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.544 5.112 -2.240 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.123 6.179 -2.335 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.198 6.254 -0.919 1.00 0.00 H new ATOM 48 N GLU A 26 -0.937 7.158 -2.267 1.00 0.00 N ATOM 49 CA GLU A 26 -0.914 7.980 -3.464 1.00 0.00 C ATOM 50 C GLU A 26 0.114 9.104 -3.317 1.00 0.00 C ATOM 51 O GLU A 26 0.570 9.393 -2.212 1.00 0.00 O ATOM 52 CB GLU A 26 -2.303 8.545 -3.768 1.00 0.00 C ATOM 53 CG GLU A 26 -2.503 8.731 -5.274 1.00 0.00 C ATOM 54 CD GLU A 26 -2.807 10.192 -5.610 1.00 0.00 C ATOM 55 OE1 GLU A 26 -2.325 10.642 -6.672 1.00 0.00 O ATOM 56 OE2 GLU A 26 -3.516 10.826 -4.799 1.00 0.00 O ATOM 0 H GLU A 26 -1.367 7.600 -1.454 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.620 7.353 -4.306 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.066 7.873 -3.377 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.430 9.501 -3.260 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.607 8.411 -5.806 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.321 8.097 -5.617 1.00 0.00 H new ATOM 63 N ILE A 27 0.450 9.707 -4.448 1.00 0.00 N ATOM 64 CA ILE A 27 1.416 10.792 -4.459 1.00 0.00 C ATOM 65 C ILE A 27 0.847 11.968 -5.256 1.00 0.00 C ATOM 66 O ILE A 27 0.269 11.776 -6.325 1.00 0.00 O ATOM 67 CB ILE A 27 2.770 10.299 -4.973 1.00 0.00 C ATOM 68 CG1 ILE A 27 3.918 10.896 -4.155 1.00 0.00 C ATOM 69 CG2 ILE A 27 2.925 10.581 -6.469 1.00 0.00 C ATOM 70 CD1 ILE A 27 3.850 12.424 -4.150 1.00 0.00 C ATOM 0 H ILE A 27 0.070 9.465 -5.363 1.00 0.00 H new ATOM 0 HA ILE A 27 1.597 11.151 -3.446 1.00 0.00 H new ATOM 0 HB ILE A 27 2.811 9.217 -4.844 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.873 10.523 -3.132 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.872 10.572 -4.570 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.896 10.221 -6.808 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.135 10.069 -7.019 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.854 11.654 -6.646 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.677 12.823 -3.562 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.920 12.795 -5.173 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.905 12.745 -3.712 1.00 0.00 H new ATOM 82 N ASP A 28 1.031 13.159 -4.706 1.00 0.00 N ATOM 83 CA ASP A 28 0.544 14.365 -5.352 1.00 0.00 C ATOM 84 C ASP A 28 1.706 15.341 -5.545 1.00 0.00 C ATOM 85 O ASP A 28 1.969 16.177 -4.682 1.00 0.00 O ATOM 86 CB ASP A 28 -0.518 15.058 -4.496 1.00 0.00 C ATOM 87 CG ASP A 28 -1.657 15.712 -5.282 1.00 0.00 C ATOM 88 OD1 ASP A 28 -1.421 16.024 -6.469 1.00 0.00 O ATOM 89 OD2 ASP A 28 -2.737 15.885 -4.678 1.00 0.00 O ATOM 0 H ASP A 28 1.511 13.314 -3.820 1.00 0.00 H new ATOM 0 HA ASP A 28 0.107 14.081 -6.309 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.944 14.326 -3.809 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.032 15.821 -3.888 1.00 0.00 H new ATOM 94 N SER A 29 2.372 15.202 -6.682 1.00 0.00 N ATOM 95 CA SER A 29 3.500 16.061 -6.999 1.00 0.00 C ATOM 96 C SER A 29 3.006 17.465 -7.355 1.00 0.00 C ATOM 97 O SER A 29 3.741 18.440 -7.213 1.00 0.00 O ATOM 98 CB SER A 29 4.328 15.482 -8.148 1.00 0.00 C ATOM 99 OG SER A 29 5.429 16.320 -8.488 1.00 0.00 O ATOM 0 H SER A 29 2.152 14.507 -7.395 1.00 0.00 H new ATOM 0 HA SER A 29 4.141 16.121 -6.120 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.697 14.495 -7.868 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.691 15.348 -9.022 1.00 0.00 H new ATOM 0 HG SER A 29 5.933 15.915 -9.224 1.00 0.00 H new ATOM 105 N GLU A 30 1.763 17.521 -7.812 1.00 0.00 N ATOM 106 CA GLU A 30 1.162 18.789 -8.191 1.00 0.00 C ATOM 107 C GLU A 30 1.263 19.789 -7.037 1.00 0.00 C ATOM 108 O GLU A 30 1.721 20.915 -7.225 1.00 0.00 O ATOM 109 CB GLU A 30 -0.292 18.598 -8.625 1.00 0.00 C ATOM 110 CG GLU A 30 -0.559 19.288 -9.964 1.00 0.00 C ATOM 111 CD GLU A 30 -0.678 18.264 -11.095 1.00 0.00 C ATOM 112 OE1 GLU A 30 0.388 17.849 -11.599 1.00 0.00 O ATOM 113 OE2 GLU A 30 -1.832 17.919 -11.430 1.00 0.00 O ATOM 0 H GLU A 30 1.156 16.709 -7.928 1.00 0.00 H new ATOM 0 HA GLU A 30 1.711 19.190 -9.043 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.513 17.534 -8.709 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.959 19.003 -7.864 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.477 19.872 -9.899 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.248 19.986 -10.185 1.00 0.00 H new ATOM 120 N GLN A 31 0.827 19.342 -5.868 1.00 0.00 N ATOM 121 CA GLN A 31 0.862 20.184 -4.685 1.00 0.00 C ATOM 122 C GLN A 31 2.038 19.790 -3.788 1.00 0.00 C ATOM 123 O GLN A 31 2.515 20.598 -2.993 1.00 0.00 O ATOM 124 CB GLN A 31 -0.460 20.109 -3.919 1.00 0.00 C ATOM 125 CG GLN A 31 -1.443 21.171 -4.417 1.00 0.00 C ATOM 126 CD GLN A 31 -1.815 22.142 -3.294 1.00 0.00 C ATOM 127 OE1 GLN A 31 -0.969 22.755 -2.663 1.00 0.00 O ATOM 128 NE2 GLN A 31 -3.123 22.248 -3.082 1.00 0.00 N ATOM 0 H GLN A 31 0.448 18.408 -5.715 1.00 0.00 H new ATOM 0 HA GLN A 31 1.002 21.217 -5.003 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.898 19.118 -4.039 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.276 20.250 -2.854 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.000 21.721 -5.247 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.343 20.689 -4.799 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.777 21.706 -3.647 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.473 22.872 -2.355 1.00 0.00 H new ATOM 137 N GLY A 32 2.471 18.548 -3.946 1.00 0.00 N ATOM 138 CA GLY A 32 3.582 18.037 -3.161 1.00 0.00 C ATOM 139 C GLY A 32 3.086 17.391 -1.866 1.00 0.00 C ATOM 140 O GLY A 32 3.657 17.612 -0.799 1.00 0.00 O ATOM 0 H GLY A 32 2.073 17.880 -4.606 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.140 17.306 -3.746 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.270 18.849 -2.926 1.00 0.00 H new ATOM 144 N VAL A 33 2.029 16.604 -2.001 1.00 0.00 N ATOM 145 CA VAL A 33 1.449 15.924 -0.855 1.00 0.00 C ATOM 146 C VAL A 33 1.115 14.482 -1.239 1.00 0.00 C ATOM 147 O VAL A 33 0.979 14.165 -2.420 1.00 0.00 O ATOM 148 CB VAL A 33 0.237 16.704 -0.342 1.00 0.00 C ATOM 149 CG1 VAL A 33 -0.533 15.894 0.703 1.00 0.00 C ATOM 150 CG2 VAL A 33 0.656 18.064 0.218 1.00 0.00 C ATOM 0 H VAL A 33 1.559 16.422 -2.887 1.00 0.00 H new ATOM 0 HA VAL A 33 2.163 15.883 -0.033 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.429 16.881 -1.186 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.390 16.471 1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.880 14.962 0.257 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.122 15.671 1.546 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.225 18.597 0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.352 17.919 1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.140 18.647 -0.566 1.00 0.00 H new ATOM 160 N CYS A 34 0.991 13.645 -0.219 1.00 0.00 N ATOM 161 CA CYS A 34 0.674 12.243 -0.435 1.00 0.00 C ATOM 162 C CYS A 34 -0.680 11.951 0.214 1.00 0.00 C ATOM 163 O CYS A 34 -0.993 12.490 1.274 1.00 0.00 O ATOM 164 CB CYS A 34 1.774 11.326 0.103 1.00 0.00 C ATOM 165 SG CYS A 34 2.348 11.926 1.733 1.00 0.00 S ATOM 0 H CYS A 34 1.104 13.911 0.759 1.00 0.00 H new ATOM 0 HA CYS A 34 0.614 12.041 -1.505 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.397 10.307 0.193 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.609 11.296 -0.597 1.00 0.00 H new ATOM 0 HG CYS A 34 2.500 13.216 1.691 1.00 0.00 H new ATOM 171 N SER A 35 -1.447 11.099 -0.451 1.00 0.00 N ATOM 172 CA SER A 35 -2.760 10.729 0.048 1.00 0.00 C ATOM 173 C SER A 35 -2.997 9.232 -0.162 1.00 0.00 C ATOM 174 O SER A 35 -3.078 8.766 -1.298 1.00 0.00 O ATOM 175 CB SER A 35 -3.860 11.542 -0.639 1.00 0.00 C ATOM 176 OG SER A 35 -4.212 12.702 0.109 1.00 0.00 O ATOM 0 H SER A 35 -1.184 10.655 -1.331 1.00 0.00 H new ATOM 0 HA SER A 35 -2.795 10.950 1.115 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.524 11.839 -1.633 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.742 10.916 -0.775 1.00 0.00 H new ATOM 0 HG SER A 35 -4.915 13.195 -0.363 1.00 0.00 H new ATOM 182 N VAL A 36 -3.103 8.520 0.950 1.00 0.00 N ATOM 183 CA VAL A 36 -3.329 7.086 0.902 1.00 0.00 C ATOM 184 C VAL A 36 -4.824 6.804 1.065 1.00 0.00 C ATOM 185 O VAL A 36 -5.544 7.589 1.679 1.00 0.00 O ATOM 186 CB VAL A 36 -2.470 6.385 1.957 1.00 0.00 C ATOM 187 CG1 VAL A 36 -2.778 6.919 3.357 1.00 0.00 C ATOM 188 CG2 VAL A 36 -2.655 4.868 1.895 1.00 0.00 C ATOM 0 H VAL A 36 -3.036 8.910 1.890 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.026 6.684 -0.065 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.425 6.603 1.738 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.154 6.404 4.088 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.571 7.989 3.392 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.829 6.745 3.590 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.034 4.394 2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.701 4.621 2.076 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.362 4.506 0.909 1.00 0.00 H new ATOM 198 N GLU A 37 -5.246 5.681 0.503 1.00 0.00 N ATOM 199 CA GLU A 37 -6.642 5.285 0.577 1.00 0.00 C ATOM 200 C GLU A 37 -6.832 4.206 1.645 1.00 0.00 C ATOM 201 O GLU A 37 -5.935 3.397 1.882 1.00 0.00 O ATOM 202 CB GLU A 37 -7.150 4.805 -0.784 1.00 0.00 C ATOM 203 CG GLU A 37 -8.371 5.612 -1.229 1.00 0.00 C ATOM 204 CD GLU A 37 -9.371 4.725 -1.974 1.00 0.00 C ATOM 205 OE1 GLU A 37 -9.096 4.429 -3.157 1.00 0.00 O ATOM 206 OE2 GLU A 37 -10.389 4.364 -1.344 1.00 0.00 O ATOM 0 H GLU A 37 -4.645 5.032 -0.006 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.231 6.157 0.860 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.357 4.899 -1.526 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.409 3.748 -0.727 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.853 6.059 -0.359 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.055 6.431 -1.874 1.00 0.00 H new ATOM 213 N ILE A 38 -8.004 4.228 2.262 1.00 0.00 N ATOM 214 CA ILE A 38 -8.323 3.262 3.299 1.00 0.00 C ATOM 215 C ILE A 38 -9.840 3.198 3.482 1.00 0.00 C ATOM 216 O ILE A 38 -10.569 4.036 2.952 1.00 0.00 O ATOM 217 CB ILE A 38 -7.561 3.586 4.586 1.00 0.00 C ATOM 218 CG1 ILE A 38 -6.785 4.897 4.448 1.00 0.00 C ATOM 219 CG2 ILE A 38 -6.653 2.423 4.993 1.00 0.00 C ATOM 220 CD1 ILE A 38 -6.317 5.404 5.814 1.00 0.00 C ATOM 0 H ILE A 38 -8.745 4.900 2.063 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.995 2.265 3.004 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.287 3.724 5.387 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.924 4.747 3.797 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.416 5.649 3.974 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.123 2.679 5.910 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.257 1.531 5.160 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.932 2.230 4.199 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -5.768 6.337 5.687 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -7.182 5.576 6.454 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.667 4.660 6.275 1.00 0.00 H new ATOM 232 N GLU A 39 -10.272 2.197 4.235 1.00 0.00 N ATOM 233 CA GLU A 39 -11.690 2.014 4.495 1.00 0.00 C ATOM 234 C GLU A 39 -12.361 3.364 4.754 1.00 0.00 C ATOM 235 O GLU A 39 -13.548 3.534 4.479 1.00 0.00 O ATOM 236 CB GLU A 39 -11.913 1.056 5.667 1.00 0.00 C ATOM 237 CG GLU A 39 -11.620 1.745 7.001 1.00 0.00 C ATOM 238 CD GLU A 39 -11.853 0.791 8.174 1.00 0.00 C ATOM 239 OE1 GLU A 39 -12.203 1.302 9.260 1.00 0.00 O ATOM 240 OE2 GLU A 39 -11.676 -0.427 7.959 1.00 0.00 O ATOM 0 H GLU A 39 -9.665 1.504 4.673 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.147 1.568 3.612 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -12.942 0.697 5.657 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.270 0.183 5.555 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.589 2.097 7.014 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.258 2.622 7.109 1.00 0.00 H new ATOM 247 N GLY A 40 -11.572 4.289 5.281 1.00 0.00 N ATOM 248 CA GLY A 40 -12.075 5.619 5.580 1.00 0.00 C ATOM 249 C GLY A 40 -11.027 6.687 5.263 1.00 0.00 C ATOM 250 O GLY A 40 -10.454 7.288 6.169 1.00 0.00 O ATOM 0 H GLY A 40 -10.588 4.144 5.509 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.979 5.808 5.001 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -12.353 5.678 6.632 1.00 0.00 H new ATOM 254 N SER A 41 -10.807 6.889 3.972 1.00 0.00 N ATOM 255 CA SER A 41 -9.837 7.873 3.523 1.00 0.00 C ATOM 256 C SER A 41 -9.910 9.121 4.406 1.00 0.00 C ATOM 257 O SER A 41 -10.992 9.518 4.836 1.00 0.00 O ATOM 258 CB SER A 41 -10.069 8.246 2.057 1.00 0.00 C ATOM 259 OG SER A 41 -11.273 8.986 1.878 1.00 0.00 O ATOM 0 H SER A 41 -11.284 6.388 3.223 1.00 0.00 H new ATOM 0 HA SER A 41 -8.842 7.435 3.606 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.225 8.833 1.695 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.108 7.339 1.454 1.00 0.00 H new ATOM 0 HG SER A 41 -11.384 9.206 0.929 1.00 0.00 H new ATOM 265 N ARG A 42 -8.746 9.703 4.650 1.00 0.00 N ATOM 266 CA ARG A 42 -8.664 10.898 5.474 1.00 0.00 C ATOM 267 C ARG A 42 -7.226 11.120 5.945 1.00 0.00 C ATOM 268 O ARG A 42 -6.991 11.418 7.115 1.00 0.00 O ATOM 269 CB ARG A 42 -9.582 10.789 6.693 1.00 0.00 C ATOM 270 CG ARG A 42 -10.888 11.554 6.466 1.00 0.00 C ATOM 271 CD ARG A 42 -12.068 10.829 7.116 1.00 0.00 C ATOM 272 NE ARG A 42 -12.835 11.769 7.964 1.00 0.00 N ATOM 273 CZ ARG A 42 -13.984 11.459 8.580 1.00 0.00 C ATOM 274 NH1 ARG A 42 -14.505 10.232 8.447 1.00 0.00 N ATOM 275 NH2 ARG A 42 -14.610 12.376 9.330 1.00 0.00 N ATOM 0 H ARG A 42 -7.851 9.370 4.292 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.985 11.744 4.866 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.801 9.741 6.895 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.073 11.184 7.572 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.802 12.559 6.879 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.068 11.664 5.397 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.716 10.409 6.347 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.706 9.995 7.718 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.466 12.712 8.087 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.027 9.534 7.877 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.380 9.996 8.916 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.212 13.310 9.432 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -15.485 12.140 9.799 1.00 0.00 H new ATOM 289 N HIS A 43 -6.300 10.967 5.009 1.00 0.00 N ATOM 290 CA HIS A 43 -4.891 11.148 5.314 1.00 0.00 C ATOM 291 C HIS A 43 -4.317 12.268 4.444 1.00 0.00 C ATOM 292 O HIS A 43 -4.953 12.701 3.484 1.00 0.00 O ATOM 293 CB HIS A 43 -4.129 9.830 5.163 1.00 0.00 C ATOM 294 CG HIS A 43 -3.507 9.329 6.444 1.00 0.00 C ATOM 295 ND1 HIS A 43 -2.343 8.581 6.470 1.00 0.00 N ATOM 296 CD2 HIS A 43 -3.898 9.478 7.742 1.00 0.00 C ATOM 297 CE1 HIS A 43 -2.056 8.297 7.732 1.00 0.00 C ATOM 298 NE2 HIS A 43 -3.022 8.853 8.519 1.00 0.00 N ATOM 0 H HIS A 43 -6.498 10.720 4.039 1.00 0.00 H new ATOM 0 HA HIS A 43 -4.776 11.449 6.355 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.811 9.070 4.781 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -3.345 9.959 4.417 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.772 10.014 8.080 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -1.207 7.726 8.077 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -3.064 8.798 9.537 1.00 0.00 H new ATOM 306 N ARG A 44 -3.122 12.706 4.812 1.00 0.00 N ATOM 307 CA ARG A 44 -2.455 13.767 4.077 1.00 0.00 C ATOM 308 C ARG A 44 -1.196 14.218 4.820 1.00 0.00 C ATOM 309 O ARG A 44 -1.237 14.460 6.026 1.00 0.00 O ATOM 310 CB ARG A 44 -3.382 14.969 3.882 1.00 0.00 C ATOM 311 CG ARG A 44 -3.396 15.419 2.420 1.00 0.00 C ATOM 312 CD ARG A 44 -4.825 15.459 1.872 1.00 0.00 C ATOM 313 NE ARG A 44 -4.888 16.344 0.688 1.00 0.00 N ATOM 314 CZ ARG A 44 -6.010 16.604 0.004 1.00 0.00 C ATOM 315 NH1 ARG A 44 -7.170 16.050 0.382 1.00 0.00 N ATOM 316 NH2 ARG A 44 -5.973 17.420 -1.059 1.00 0.00 N ATOM 0 H ARG A 44 -2.598 12.345 5.610 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.181 13.371 3.099 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.393 14.708 4.196 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.054 15.792 4.517 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.942 16.407 2.335 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.792 14.738 1.820 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.148 14.454 1.602 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.509 15.818 2.641 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.023 16.784 0.373 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -7.199 15.430 1.191 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.024 16.249 -0.139 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.091 17.843 -1.347 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.827 17.618 -1.580 1.00 0.00 H new ATOM 330 N ALA A 45 -0.108 14.317 4.071 1.00 0.00 N ATOM 331 CA ALA A 45 1.160 14.735 4.644 1.00 0.00 C ATOM 332 C ALA A 45 2.141 15.063 3.517 1.00 0.00 C ATOM 333 O ALA A 45 1.962 14.618 2.384 1.00 0.00 O ATOM 334 CB ALA A 45 1.686 13.639 5.573 1.00 0.00 C ATOM 0 H ALA A 45 -0.078 14.115 3.072 1.00 0.00 H new ATOM 0 HA ALA A 45 1.032 15.637 5.242 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.637 13.952 6.003 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.966 13.464 6.373 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.829 12.719 5.006 1.00 0.00 H new ATOM 340 N PRO A 46 3.182 15.861 3.876 1.00 0.00 N ATOM 341 CA PRO A 46 4.192 16.254 2.908 1.00 0.00 C ATOM 342 C PRO A 46 5.140 15.094 2.602 1.00 0.00 C ATOM 343 O PRO A 46 5.730 14.513 3.511 1.00 0.00 O ATOM 344 CB PRO A 46 4.895 17.447 3.535 1.00 0.00 C ATOM 345 CG PRO A 46 4.571 17.388 5.019 1.00 0.00 C ATOM 346 CD PRO A 46 3.426 16.406 5.208 1.00 0.00 C ATOM 0 HA PRO A 46 3.766 16.523 1.941 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.971 17.399 3.368 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.546 18.381 3.096 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.445 17.070 5.588 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.292 18.375 5.388 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.691 15.620 5.915 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.539 16.903 5.601 1.00 0.00 H new ATOM 354 N VAL A 47 5.258 14.791 1.317 1.00 0.00 N ATOM 355 CA VAL A 47 6.125 13.710 0.880 1.00 0.00 C ATOM 356 C VAL A 47 7.553 13.982 1.357 1.00 0.00 C ATOM 357 O VAL A 47 8.336 13.052 1.545 1.00 0.00 O ATOM 358 CB VAL A 47 6.025 13.539 -0.637 1.00 0.00 C ATOM 359 CG1 VAL A 47 7.156 12.655 -1.166 1.00 0.00 C ATOM 360 CG2 VAL A 47 4.658 12.979 -1.037 1.00 0.00 C ATOM 0 H VAL A 47 4.768 15.275 0.565 1.00 0.00 H new ATOM 0 HA VAL A 47 5.809 12.765 1.322 1.00 0.00 H new ATOM 0 HB VAL A 47 6.130 14.524 -1.092 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.061 12.550 -2.247 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.117 13.113 -0.929 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.098 11.672 -0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.613 12.867 -2.120 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.511 12.007 -0.566 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.875 13.663 -0.710 1.00 0.00 H new ATOM 370 N ASP A 48 7.848 15.261 1.540 1.00 0.00 N ATOM 371 CA ASP A 48 9.168 15.667 1.992 1.00 0.00 C ATOM 372 C ASP A 48 9.299 15.384 3.490 1.00 0.00 C ATOM 373 O ASP A 48 10.353 15.618 4.080 1.00 0.00 O ATOM 374 CB ASP A 48 9.388 17.165 1.773 1.00 0.00 C ATOM 375 CG ASP A 48 8.429 18.078 2.539 1.00 0.00 C ATOM 376 OD1 ASP A 48 7.697 18.830 1.859 1.00 0.00 O ATOM 377 OD2 ASP A 48 8.450 18.005 3.786 1.00 0.00 O ATOM 0 H ASP A 48 7.196 16.029 1.383 1.00 0.00 H new ATOM 0 HA ASP A 48 9.908 15.106 1.420 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.410 17.413 2.061 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.296 17.379 0.708 1.00 0.00 H new ATOM 382 N SER A 49 8.213 14.884 4.062 1.00 0.00 N ATOM 383 CA SER A 49 8.194 14.567 5.480 1.00 0.00 C ATOM 384 C SER A 49 7.778 13.108 5.684 1.00 0.00 C ATOM 385 O SER A 49 7.126 12.778 6.673 1.00 0.00 O ATOM 386 CB SER A 49 7.249 15.499 6.240 1.00 0.00 C ATOM 387 OG SER A 49 7.445 15.425 7.650 1.00 0.00 O ATOM 0 H SER A 49 7.341 14.691 3.570 1.00 0.00 H new ATOM 0 HA SER A 49 9.199 14.711 5.876 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.405 16.525 5.906 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.217 15.240 6.003 1.00 0.00 H new ATOM 0 HG SER A 49 7.420 14.488 7.935 1.00 0.00 H new ATOM 393 N LEU A 50 8.172 12.275 4.732 1.00 0.00 N ATOM 394 CA LEU A 50 7.849 10.860 4.795 1.00 0.00 C ATOM 395 C LEU A 50 9.074 10.082 5.278 1.00 0.00 C ATOM 396 O LEU A 50 10.138 10.662 5.489 1.00 0.00 O ATOM 397 CB LEU A 50 7.303 10.375 3.451 1.00 0.00 C ATOM 398 CG LEU A 50 5.876 10.809 3.110 1.00 0.00 C ATOM 399 CD1 LEU A 50 5.487 10.358 1.701 1.00 0.00 C ATOM 400 CD2 LEU A 50 4.885 10.311 4.165 1.00 0.00 C ATOM 0 H LEU A 50 8.712 12.553 3.913 1.00 0.00 H new ATOM 0 HA LEU A 50 7.053 10.683 5.519 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.967 10.729 2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.343 9.286 3.437 1.00 0.00 H new ATOM 0 HG LEU A 50 5.839 11.898 3.121 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.468 10.679 1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.169 10.801 0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.546 9.271 1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.878 10.633 3.899 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.918 9.222 4.210 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.152 10.723 5.138 1.00 0.00 H new ATOM 412 N ARG A 51 8.884 8.781 5.439 1.00 0.00 N ATOM 413 CA ARG A 51 9.961 7.917 5.893 1.00 0.00 C ATOM 414 C ARG A 51 9.640 6.456 5.572 1.00 0.00 C ATOM 415 O ARG A 51 8.554 5.972 5.884 1.00 0.00 O ATOM 416 CB ARG A 51 10.186 8.064 7.399 1.00 0.00 C ATOM 417 CG ARG A 51 11.512 7.427 7.820 1.00 0.00 C ATOM 418 CD ARG A 51 12.537 8.496 8.202 1.00 0.00 C ATOM 419 NE ARG A 51 12.799 8.448 9.658 1.00 0.00 N ATOM 420 CZ ARG A 51 13.783 9.124 10.266 1.00 0.00 C ATOM 421 NH1 ARG A 51 14.604 9.903 9.549 1.00 0.00 N ATOM 422 NH2 ARG A 51 13.947 9.020 11.592 1.00 0.00 N ATOM 0 H ARG A 51 8.000 8.304 5.263 1.00 0.00 H new ATOM 0 HA ARG A 51 10.870 8.216 5.370 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.184 9.120 7.669 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.365 7.595 7.941 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.346 6.759 8.665 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.903 6.819 7.004 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.464 8.336 7.652 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.167 9.483 7.923 1.00 0.00 H new ATOM 0 HE ARG A 51 12.193 7.864 10.234 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.480 9.982 8.540 1.00 0.00 H new ATOM 0 HH12 ARG A 51 15.353 10.417 10.013 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.323 8.426 12.138 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.696 9.535 12.055 1.00 0.00 H new ATOM 436 N ILE A 52 10.607 5.794 4.952 1.00 0.00 N ATOM 437 CA ILE A 52 10.441 4.398 4.585 1.00 0.00 C ATOM 438 C ILE A 52 11.289 3.527 5.515 1.00 0.00 C ATOM 439 O ILE A 52 12.427 3.873 5.829 1.00 0.00 O ATOM 440 CB ILE A 52 10.750 4.194 3.101 1.00 0.00 C ATOM 441 CG1 ILE A 52 9.830 5.049 2.227 1.00 0.00 C ATOM 442 CG2 ILE A 52 10.683 2.712 2.726 1.00 0.00 C ATOM 443 CD1 ILE A 52 9.653 4.423 0.842 1.00 0.00 C ATOM 0 H ILE A 52 11.507 6.199 4.695 1.00 0.00 H new ATOM 0 HA ILE A 52 9.404 4.090 4.716 1.00 0.00 H new ATOM 0 HB ILE A 52 11.771 4.527 2.915 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.858 5.154 2.710 1.00 0.00 H new ATOM 0 HG13 ILE A 52 10.246 6.051 2.127 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.907 2.595 1.666 1.00 0.00 H new ATOM 0 HG22 ILE A 52 11.412 2.154 3.314 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.683 2.330 2.930 1.00 0.00 H new ATOM 0 HD11 ILE A 52 8.995 5.050 0.241 1.00 0.00 H new ATOM 0 HD12 ILE A 52 10.624 4.342 0.353 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.214 3.430 0.945 1.00 0.00 H new ATOM 455 N GLY A 53 10.702 2.414 5.929 1.00 0.00 N ATOM 456 CA GLY A 53 11.389 1.491 6.817 1.00 0.00 C ATOM 457 C GLY A 53 11.242 0.049 6.328 1.00 0.00 C ATOM 458 O GLY A 53 10.592 -0.204 5.314 1.00 0.00 O ATOM 0 H GLY A 53 9.758 2.130 5.666 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.445 1.754 6.874 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.983 1.580 7.825 1.00 0.00 H new ATOM 462 N THR A 54 11.856 -0.860 7.072 1.00 0.00 N ATOM 463 CA THR A 54 11.801 -2.270 6.727 1.00 0.00 C ATOM 464 C THR A 54 11.210 -3.079 7.883 1.00 0.00 C ATOM 465 O THR A 54 11.596 -2.895 9.036 1.00 0.00 O ATOM 466 CB THR A 54 13.211 -2.715 6.333 1.00 0.00 C ATOM 467 OG1 THR A 54 13.622 -1.751 5.368 1.00 0.00 O ATOM 468 CG2 THR A 54 13.214 -4.037 5.563 1.00 0.00 C ATOM 0 H THR A 54 12.394 -0.647 7.912 1.00 0.00 H new ATOM 0 HA THR A 54 11.140 -2.444 5.878 1.00 0.00 H new ATOM 0 HB THR A 54 13.823 -2.815 7.229 1.00 0.00 H new ATOM 0 HG1 THR A 54 14.358 -2.116 4.834 1.00 0.00 H new ATOM 0 HG21 THR A 54 14.239 -4.307 5.308 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.776 -4.820 6.182 1.00 0.00 H new ATOM 0 HG23 THR A 54 12.629 -3.927 4.650 1.00 0.00 H new ATOM 476 N ASP A 55 10.282 -3.959 7.533 1.00 0.00 N ATOM 477 CA ASP A 55 9.634 -4.797 8.527 1.00 0.00 C ATOM 478 C ASP A 55 10.178 -6.223 8.420 1.00 0.00 C ATOM 479 O ASP A 55 9.715 -7.008 7.594 1.00 0.00 O ATOM 480 CB ASP A 55 8.121 -4.850 8.301 1.00 0.00 C ATOM 481 CG ASP A 55 7.375 -5.875 9.157 1.00 0.00 C ATOM 482 OD1 ASP A 55 7.020 -6.934 8.595 1.00 0.00 O ATOM 483 OD2 ASP A 55 7.176 -5.577 10.354 1.00 0.00 O ATOM 0 H ASP A 55 9.964 -4.109 6.575 1.00 0.00 H new ATOM 0 HA ASP A 55 9.838 -4.372 9.510 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.705 -3.862 8.498 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.933 -5.071 7.250 1.00 0.00 H new ATOM 488 N ALA A 56 11.155 -6.515 9.266 1.00 0.00 N ATOM 489 CA ALA A 56 11.767 -7.832 9.277 1.00 0.00 C ATOM 490 C ALA A 56 10.721 -8.873 9.680 1.00 0.00 C ATOM 491 O ALA A 56 10.946 -10.074 9.533 1.00 0.00 O ATOM 492 CB ALA A 56 12.975 -7.826 10.216 1.00 0.00 C ATOM 0 H ALA A 56 11.538 -5.861 9.949 1.00 0.00 H new ATOM 0 HA ALA A 56 12.128 -8.095 8.283 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.434 -8.814 10.224 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.702 -7.091 9.869 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.651 -7.568 11.224 1.00 0.00 H new ATOM 498 N GLU A 57 9.600 -8.375 10.180 1.00 0.00 N ATOM 499 CA GLU A 57 8.518 -9.248 10.605 1.00 0.00 C ATOM 500 C GLU A 57 8.041 -10.111 9.435 1.00 0.00 C ATOM 501 O GLU A 57 7.750 -11.293 9.610 1.00 0.00 O ATOM 502 CB GLU A 57 7.362 -8.439 11.196 1.00 0.00 C ATOM 503 CG GLU A 57 6.825 -9.099 12.468 1.00 0.00 C ATOM 504 CD GLU A 57 5.544 -8.411 12.944 1.00 0.00 C ATOM 505 OE1 GLU A 57 5.347 -8.369 14.177 1.00 0.00 O ATOM 506 OE2 GLU A 57 4.790 -7.942 12.063 1.00 0.00 O ATOM 0 H GLU A 57 9.417 -7.379 10.301 1.00 0.00 H new ATOM 0 HA GLU A 57 8.895 -9.907 11.387 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.699 -7.427 11.421 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.561 -8.352 10.461 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.627 -10.154 12.279 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.580 -9.053 13.253 1.00 0.00 H new ATOM 513 N ALA A 58 7.976 -9.486 8.268 1.00 0.00 N ATOM 514 CA ALA A 58 7.540 -10.183 7.070 1.00 0.00 C ATOM 515 C ALA A 58 8.505 -9.871 5.924 1.00 0.00 C ATOM 516 O ALA A 58 8.201 -10.138 4.763 1.00 0.00 O ATOM 517 CB ALA A 58 6.099 -9.785 6.744 1.00 0.00 C ATOM 0 H ALA A 58 8.218 -8.505 8.127 1.00 0.00 H new ATOM 0 HA ALA A 58 7.553 -11.262 7.227 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.772 -10.308 5.845 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.450 -10.054 7.577 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.048 -8.709 6.577 1.00 0.00 H new ATOM 523 N ARG A 59 9.648 -9.311 6.292 1.00 0.00 N ATOM 524 CA ARG A 59 10.659 -8.959 5.309 1.00 0.00 C ATOM 525 C ARG A 59 10.041 -8.120 4.188 1.00 0.00 C ATOM 526 O ARG A 59 10.227 -8.419 3.010 1.00 0.00 O ATOM 527 CB ARG A 59 11.298 -10.212 4.706 1.00 0.00 C ATOM 528 CG ARG A 59 12.671 -9.893 4.108 1.00 0.00 C ATOM 529 CD ARG A 59 12.741 -10.315 2.640 1.00 0.00 C ATOM 530 NE ARG A 59 13.945 -9.735 2.003 1.00 0.00 N ATOM 531 CZ ARG A 59 15.190 -10.191 2.198 1.00 0.00 C ATOM 532 NH1 ARG A 59 15.402 -11.234 3.012 1.00 0.00 N ATOM 533 NH2 ARG A 59 16.223 -9.603 1.579 1.00 0.00 N ATOM 0 H ARG A 59 9.896 -9.092 7.257 1.00 0.00 H new ATOM 0 HA ARG A 59 11.429 -8.380 5.818 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.401 -10.978 5.475 1.00 0.00 H new ATOM 0 HB3 ARG A 59 10.647 -10.621 3.933 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.869 -8.825 4.193 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.447 -10.407 4.675 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.769 -11.402 2.567 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.846 -9.983 2.115 1.00 0.00 H new ATOM 0 HE ARG A 59 13.819 -8.939 1.377 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.616 -11.681 3.483 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.350 -11.581 3.160 1.00 0.00 H new ATOM 0 HH21 ARG A 59 16.061 -8.809 0.960 1.00 0.00 H new ATOM 0 HH22 ARG A 59 17.171 -9.950 1.727 1.00 0.00 H new ATOM 547 N LEU A 60 9.319 -7.087 4.596 1.00 0.00 N ATOM 548 CA LEU A 60 8.673 -6.203 3.641 1.00 0.00 C ATOM 549 C LEU A 60 8.952 -4.749 4.029 1.00 0.00 C ATOM 550 O LEU A 60 9.356 -4.470 5.157 1.00 0.00 O ATOM 551 CB LEU A 60 7.183 -6.533 3.527 1.00 0.00 C ATOM 552 CG LEU A 60 6.239 -5.673 4.369 1.00 0.00 C ATOM 553 CD1 LEU A 60 4.819 -5.698 3.798 1.00 0.00 C ATOM 554 CD2 LEU A 60 6.274 -6.097 5.838 1.00 0.00 C ATOM 0 H LEU A 60 9.167 -6.842 5.575 1.00 0.00 H new ATOM 0 HA LEU A 60 9.086 -6.353 2.644 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.890 -6.442 2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.040 -7.576 3.808 1.00 0.00 H new ATOM 0 HG LEU A 60 6.586 -4.641 4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.168 -5.079 4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.830 -5.311 2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.447 -6.723 3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.594 -5.469 6.414 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.966 -7.139 5.923 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.287 -5.985 6.225 1.00 0.00 H new ATOM 566 N SER A 61 8.726 -3.861 3.072 1.00 0.00 N ATOM 567 CA SER A 61 8.948 -2.443 3.299 1.00 0.00 C ATOM 568 C SER A 61 7.680 -1.798 3.860 1.00 0.00 C ATOM 569 O SER A 61 6.573 -2.114 3.425 1.00 0.00 O ATOM 570 CB SER A 61 9.376 -1.739 2.010 1.00 0.00 C ATOM 571 OG SER A 61 10.390 -2.463 1.317 1.00 0.00 O ATOM 0 H SER A 61 8.391 -4.096 2.138 1.00 0.00 H new ATOM 0 HA SER A 61 9.754 -2.335 4.025 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.510 -1.616 1.360 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.742 -0.740 2.247 1.00 0.00 H new ATOM 0 HG SER A 61 10.522 -2.072 0.428 1.00 0.00 H new ATOM 577 N VAL A 62 7.882 -0.905 4.818 1.00 0.00 N ATOM 578 CA VAL A 62 6.768 -0.212 5.443 1.00 0.00 C ATOM 579 C VAL A 62 6.922 1.294 5.224 1.00 0.00 C ATOM 580 O VAL A 62 8.030 1.784 5.010 1.00 0.00 O ATOM 581 CB VAL A 62 6.677 -0.595 6.921 1.00 0.00 C ATOM 582 CG1 VAL A 62 6.087 -1.997 7.089 1.00 0.00 C ATOM 583 CG2 VAL A 62 8.044 -0.490 7.600 1.00 0.00 C ATOM 0 H VAL A 62 8.801 -0.645 5.177 1.00 0.00 H new ATOM 0 HA VAL A 62 5.826 -0.512 4.985 1.00 0.00 H new ATOM 0 HB VAL A 62 6.006 0.111 7.409 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.033 -2.245 8.149 1.00 0.00 H new ATOM 0 HG12 VAL A 62 5.086 -2.024 6.659 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.721 -2.722 6.579 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.951 -0.768 8.650 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.747 -1.162 7.108 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.409 0.534 7.527 1.00 0.00 H new ATOM 593 N LEU A 63 5.795 1.987 5.285 1.00 0.00 N ATOM 594 CA LEU A 63 5.790 3.428 5.096 1.00 0.00 C ATOM 595 C LEU A 63 5.344 4.107 6.393 1.00 0.00 C ATOM 596 O LEU A 63 4.482 3.590 7.103 1.00 0.00 O ATOM 597 CB LEU A 63 4.942 3.806 3.880 1.00 0.00 C ATOM 598 CG LEU A 63 4.313 5.201 3.909 1.00 0.00 C ATOM 599 CD1 LEU A 63 3.215 5.285 4.972 1.00 0.00 C ATOM 600 CD2 LEU A 63 5.380 6.280 4.101 1.00 0.00 C ATOM 0 H LEU A 63 4.878 1.577 5.463 1.00 0.00 H new ATOM 0 HA LEU A 63 6.796 3.787 4.878 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.565 3.728 2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.144 3.071 3.776 1.00 0.00 H new ATOM 0 HG LEU A 63 3.841 5.383 2.943 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.784 6.286 4.972 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.437 4.555 4.749 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.641 5.073 5.953 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.906 7.261 4.118 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.901 6.112 5.043 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.094 6.236 3.279 1.00 0.00 H new ATOM 612 N TYR A 64 5.950 5.254 6.662 1.00 0.00 N ATOM 613 CA TYR A 64 5.625 6.008 7.860 1.00 0.00 C ATOM 614 C TYR A 64 5.078 7.392 7.505 1.00 0.00 C ATOM 615 O TYR A 64 5.688 8.124 6.728 1.00 0.00 O ATOM 616 CB TYR A 64 6.941 6.174 8.624 1.00 0.00 C ATOM 617 CG TYR A 64 7.260 5.016 9.573 1.00 0.00 C ATOM 618 CD1 TYR A 64 7.540 3.764 9.064 1.00 0.00 C ATOM 619 CD2 TYR A 64 7.267 5.225 10.937 1.00 0.00 C ATOM 620 CE1 TYR A 64 7.840 2.675 9.957 1.00 0.00 C ATOM 621 CE2 TYR A 64 7.567 4.136 11.830 1.00 0.00 C ATOM 622 CZ TYR A 64 7.838 2.915 11.296 1.00 0.00 C ATOM 623 OH TYR A 64 8.122 1.886 12.139 1.00 0.00 O ATOM 0 H TYR A 64 6.664 5.679 6.071 1.00 0.00 H new ATOM 0 HA TYR A 64 4.864 5.490 8.444 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.755 6.277 7.907 1.00 0.00 H new ATOM 0 HB3 TYR A 64 6.902 7.100 9.197 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.534 3.601 7.996 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.048 6.205 11.335 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.061 1.690 9.573 1.00 0.00 H new ATOM 0 HE2 TYR A 64 7.577 4.285 12.900 1.00 0.00 H new ATOM 0 HH TYR A 64 8.085 2.203 13.066 1.00 0.00 H new ATOM 633 N ILE A 65 3.933 7.709 8.093 1.00 0.00 N ATOM 634 CA ILE A 65 3.297 8.992 7.848 1.00 0.00 C ATOM 635 C ILE A 65 2.579 9.451 9.119 1.00 0.00 C ATOM 636 O ILE A 65 1.534 8.908 9.476 1.00 0.00 O ATOM 637 CB ILE A 65 2.386 8.914 6.621 1.00 0.00 C ATOM 638 CG1 ILE A 65 1.588 10.207 6.447 1.00 0.00 C ATOM 639 CG2 ILE A 65 1.478 7.684 6.691 1.00 0.00 C ATOM 640 CD1 ILE A 65 0.761 10.172 5.160 1.00 0.00 C ATOM 0 H ILE A 65 3.430 7.100 8.738 1.00 0.00 H new ATOM 0 HA ILE A 65 4.045 9.749 7.612 1.00 0.00 H new ATOM 0 HB ILE A 65 3.013 8.802 5.736 1.00 0.00 H new ATOM 0 HG12 ILE A 65 0.929 10.350 7.303 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.269 11.058 6.423 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.840 7.652 5.807 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.089 6.782 6.731 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.857 7.741 7.585 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.203 11.103 5.060 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.425 10.054 4.304 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.065 9.334 5.198 1.00 0.00 H new ATOM 652 N ASP A 66 3.167 10.445 9.768 1.00 0.00 N ATOM 653 CA ASP A 66 2.597 10.982 10.991 1.00 0.00 C ATOM 654 C ASP A 66 2.990 10.088 12.168 1.00 0.00 C ATOM 655 O ASP A 66 2.360 10.133 13.224 1.00 0.00 O ATOM 656 CB ASP A 66 1.069 11.020 10.916 1.00 0.00 C ATOM 657 CG ASP A 66 0.418 12.231 11.588 1.00 0.00 C ATOM 658 OD1 ASP A 66 1.048 12.765 12.527 1.00 0.00 O ATOM 659 OD2 ASP A 66 -0.694 12.595 11.148 1.00 0.00 O ATOM 0 H ASP A 66 4.033 10.893 9.469 1.00 0.00 H new ATOM 0 HA ASP A 66 2.977 11.995 11.123 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.771 11.002 9.868 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.675 10.113 11.375 1.00 0.00 H new ATOM 664 N GLY A 67 4.028 9.295 11.947 1.00 0.00 N ATOM 665 CA GLY A 67 4.513 8.391 12.976 1.00 0.00 C ATOM 666 C GLY A 67 3.665 7.119 13.031 1.00 0.00 C ATOM 667 O GLY A 67 3.369 6.612 14.112 1.00 0.00 O ATOM 0 H GLY A 67 4.547 9.260 11.070 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.553 8.131 12.776 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.490 8.890 13.945 1.00 0.00 H new ATOM 671 N LYS A 68 3.299 6.638 11.852 1.00 0.00 N ATOM 672 CA LYS A 68 2.491 5.435 11.752 1.00 0.00 C ATOM 673 C LYS A 68 3.300 4.339 11.055 1.00 0.00 C ATOM 674 O LYS A 68 4.383 4.600 10.532 1.00 0.00 O ATOM 675 CB LYS A 68 1.156 5.740 11.072 1.00 0.00 C ATOM 676 CG LYS A 68 1.295 5.703 9.549 1.00 0.00 C ATOM 677 CD LYS A 68 0.498 4.540 8.954 1.00 0.00 C ATOM 678 CE LYS A 68 -1.006 4.764 9.120 1.00 0.00 C ATOM 679 NZ LYS A 68 -1.633 3.600 9.787 1.00 0.00 N ATOM 0 H LYS A 68 3.547 7.060 10.957 1.00 0.00 H new ATOM 0 HA LYS A 68 2.238 5.063 12.745 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.408 5.014 11.390 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.801 6.722 11.385 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.944 6.644 9.125 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.346 5.604 9.278 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.739 4.433 7.896 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.787 3.609 9.442 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.183 5.666 9.707 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.466 4.923 8.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.654 3.768 9.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.480 2.747 9.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.206 3.466 10.726 1.00 0.00 H new ATOM 693 N ARG A 69 2.744 3.137 11.069 1.00 0.00 N ATOM 694 CA ARG A 69 3.400 2.001 10.444 1.00 0.00 C ATOM 695 C ARG A 69 2.364 1.079 9.798 1.00 0.00 C ATOM 696 O ARG A 69 1.586 0.430 10.494 1.00 0.00 O ATOM 697 CB ARG A 69 4.215 1.205 11.465 1.00 0.00 C ATOM 698 CG ARG A 69 5.100 0.168 10.772 1.00 0.00 C ATOM 699 CD ARG A 69 4.289 -1.069 10.377 1.00 0.00 C ATOM 700 NE ARG A 69 4.915 -2.285 10.941 1.00 0.00 N ATOM 701 CZ ARG A 69 4.275 -3.451 11.106 1.00 0.00 C ATOM 702 NH1 ARG A 69 2.988 -3.565 10.751 1.00 0.00 N ATOM 703 NH2 ARG A 69 4.922 -4.503 11.626 1.00 0.00 N ATOM 0 H ARG A 69 1.846 2.925 11.504 1.00 0.00 H new ATOM 0 HA ARG A 69 4.074 2.387 9.680 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.835 1.884 12.050 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.543 0.706 12.163 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.555 0.608 9.884 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.914 -0.123 11.436 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.266 -0.975 10.741 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.236 -1.148 9.291 1.00 0.00 H new ATOM 0 HE ARG A 69 5.894 -2.233 11.222 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.495 -2.764 10.355 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.501 -4.452 10.877 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.902 -4.416 11.896 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.435 -5.390 11.752 1.00 0.00 H new ATOM 717 N LEU A 70 2.388 1.051 8.473 1.00 0.00 N ATOM 718 CA LEU A 70 1.461 0.220 7.725 1.00 0.00 C ATOM 719 C LEU A 70 2.186 -0.395 6.526 1.00 0.00 C ATOM 720 O LEU A 70 3.325 -0.033 6.233 1.00 0.00 O ATOM 721 CB LEU A 70 0.212 1.018 7.345 1.00 0.00 C ATOM 722 CG LEU A 70 0.156 1.532 5.905 1.00 0.00 C ATOM 723 CD1 LEU A 70 -0.726 0.634 5.036 1.00 0.00 C ATOM 724 CD2 LEU A 70 -0.294 2.993 5.862 1.00 0.00 C ATOM 0 H LEU A 70 3.035 1.591 7.899 1.00 0.00 H new ATOM 0 HA LEU A 70 1.108 -0.606 8.342 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.662 0.391 7.520 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.132 1.872 8.018 1.00 0.00 H new ATOM 0 HG LEU A 70 1.163 1.493 5.489 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.749 1.022 4.018 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.321 -0.378 5.030 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.738 0.617 5.440 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.325 3.334 4.827 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.287 3.081 6.303 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.409 3.607 6.425 1.00 0.00 H new ATOM 736 N HIS A 71 1.497 -1.313 5.865 1.00 0.00 N ATOM 737 CA HIS A 71 2.061 -1.981 4.705 1.00 0.00 C ATOM 738 C HIS A 71 1.564 -1.300 3.429 1.00 0.00 C ATOM 739 O HIS A 71 0.374 -1.342 3.121 1.00 0.00 O ATOM 740 CB HIS A 71 1.752 -3.479 4.737 1.00 0.00 C ATOM 741 CG HIS A 71 2.033 -4.136 6.067 1.00 0.00 C ATOM 742 ND1 HIS A 71 3.312 -4.283 6.575 1.00 0.00 N ATOM 743 CD2 HIS A 71 1.188 -4.683 6.987 1.00 0.00 C ATOM 744 CE1 HIS A 71 3.229 -4.892 7.749 1.00 0.00 C ATOM 745 NE2 HIS A 71 1.912 -5.140 8.002 1.00 0.00 N ATOM 0 H HIS A 71 0.553 -1.610 6.111 1.00 0.00 H new ATOM 0 HA HIS A 71 3.147 -1.893 4.723 1.00 0.00 H new ATOM 0 HB2 HIS A 71 0.702 -3.628 4.484 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.340 -3.977 3.966 1.00 0.00 H new ATOM 0 HD2 HIS A 71 0.112 -4.736 6.904 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.058 -5.147 8.392 1.00 0.00 H new ATOM 0 HE2 HIS A 71 1.544 -5.601 8.834 1.00 0.00 H new ATOM 753 N ILE A 72 2.501 -0.688 2.719 1.00 0.00 N ATOM 754 CA ILE A 72 2.173 0.001 1.483 1.00 0.00 C ATOM 755 C ILE A 72 2.762 -0.772 0.301 1.00 0.00 C ATOM 756 O ILE A 72 3.629 -1.626 0.484 1.00 0.00 O ATOM 757 CB ILE A 72 2.623 1.462 1.548 1.00 0.00 C ATOM 758 CG1 ILE A 72 4.146 1.571 1.461 1.00 0.00 C ATOM 759 CG2 ILE A 72 2.069 2.151 2.797 1.00 0.00 C ATOM 760 CD1 ILE A 72 4.564 2.838 0.711 1.00 0.00 C ATOM 0 H ILE A 72 3.487 -0.655 2.977 1.00 0.00 H new ATOM 0 HA ILE A 72 1.093 0.030 1.339 1.00 0.00 H new ATOM 0 HB ILE A 72 2.213 1.985 0.684 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.571 1.581 2.465 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.548 0.694 0.953 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.404 3.188 2.819 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.980 2.122 2.776 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.429 1.635 3.687 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.652 2.891 0.664 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.158 2.813 -0.300 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.181 3.714 1.235 1.00 0.00 H new ATOM 772 N SER A 73 2.269 -0.445 -0.884 1.00 0.00 N ATOM 773 CA SER A 73 2.736 -1.097 -2.095 1.00 0.00 C ATOM 774 C SER A 73 4.223 -0.806 -2.307 1.00 0.00 C ATOM 775 O SER A 73 4.699 0.280 -1.979 1.00 0.00 O ATOM 776 CB SER A 73 1.927 -0.643 -3.312 1.00 0.00 C ATOM 777 OG SER A 73 1.314 -1.740 -3.985 1.00 0.00 O ATOM 0 H SER A 73 1.550 0.264 -1.031 1.00 0.00 H new ATOM 0 HA SER A 73 2.596 -2.172 -1.980 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.159 0.062 -2.994 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.581 -0.112 -4.004 1.00 0.00 H new ATOM 0 HG SER A 73 0.806 -1.409 -4.755 1.00 0.00 H new ATOM 783 N GLU A 74 4.915 -1.795 -2.854 1.00 0.00 N ATOM 784 CA GLU A 74 6.338 -1.658 -3.113 1.00 0.00 C ATOM 785 C GLU A 74 6.590 -0.521 -4.105 1.00 0.00 C ATOM 786 O GLU A 74 7.335 0.412 -3.810 1.00 0.00 O ATOM 787 CB GLU A 74 6.931 -2.972 -3.623 1.00 0.00 C ATOM 788 CG GLU A 74 8.002 -3.499 -2.665 1.00 0.00 C ATOM 789 CD GLU A 74 9.406 -3.195 -3.192 1.00 0.00 C ATOM 790 OE1 GLU A 74 9.822 -2.024 -3.056 1.00 0.00 O ATOM 791 OE2 GLU A 74 10.032 -4.140 -3.718 1.00 0.00 O ATOM 0 H GLU A 74 4.517 -2.694 -3.125 1.00 0.00 H new ATOM 0 HA GLU A 74 6.836 -1.413 -2.175 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.140 -3.714 -3.733 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.365 -2.820 -4.611 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.872 -3.045 -1.683 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.883 -4.575 -2.537 1.00 0.00 H new ATOM 798 N GLU A 75 5.954 -0.637 -5.262 1.00 0.00 N ATOM 799 CA GLU A 75 6.100 0.370 -6.300 1.00 0.00 C ATOM 800 C GLU A 75 5.784 1.759 -5.741 1.00 0.00 C ATOM 801 O GLU A 75 6.489 2.724 -6.032 1.00 0.00 O ATOM 802 CB GLU A 75 5.213 0.048 -7.504 1.00 0.00 C ATOM 803 CG GLU A 75 3.732 0.096 -7.123 1.00 0.00 C ATOM 804 CD GLU A 75 2.875 -0.631 -8.160 1.00 0.00 C ATOM 805 OE1 GLU A 75 3.258 -1.765 -8.519 1.00 0.00 O ATOM 806 OE2 GLU A 75 1.855 -0.036 -8.571 1.00 0.00 O ATOM 0 H GLU A 75 5.337 -1.412 -5.503 1.00 0.00 H new ATOM 0 HA GLU A 75 7.135 0.365 -6.641 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.409 0.760 -8.305 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.461 -0.941 -7.889 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.590 -0.361 -6.144 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.408 1.133 -7.041 1.00 0.00 H new ATOM 813 N ASP A 76 4.723 1.815 -4.949 1.00 0.00 N ATOM 814 CA ASP A 76 4.305 3.069 -4.347 1.00 0.00 C ATOM 815 C ASP A 76 5.404 3.571 -3.408 1.00 0.00 C ATOM 816 O ASP A 76 5.753 4.750 -3.429 1.00 0.00 O ATOM 817 CB ASP A 76 3.028 2.886 -3.524 1.00 0.00 C ATOM 818 CG ASP A 76 1.793 3.599 -4.080 1.00 0.00 C ATOM 819 OD1 ASP A 76 1.991 4.620 -4.773 1.00 0.00 O ATOM 820 OD2 ASP A 76 0.680 3.106 -3.799 1.00 0.00 O ATOM 0 H ASP A 76 4.141 1.012 -4.711 1.00 0.00 H new ATOM 0 HA ASP A 76 4.118 3.782 -5.150 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.811 1.820 -3.450 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.212 3.245 -2.511 1.00 0.00 H new ATOM 825 N ALA A 77 5.920 2.650 -2.607 1.00 0.00 N ATOM 826 CA ALA A 77 6.972 2.984 -1.662 1.00 0.00 C ATOM 827 C ALA A 77 8.149 3.607 -2.416 1.00 0.00 C ATOM 828 O ALA A 77 8.838 4.479 -1.887 1.00 0.00 O ATOM 829 CB ALA A 77 7.377 1.731 -0.884 1.00 0.00 C ATOM 0 H ALA A 77 5.629 1.673 -2.593 1.00 0.00 H new ATOM 0 HA ALA A 77 6.618 3.717 -0.937 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.166 1.982 -0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.514 1.343 -0.343 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.740 0.973 -1.578 1.00 0.00 H new ATOM 835 N GLN A 78 8.343 3.136 -3.639 1.00 0.00 N ATOM 836 CA GLN A 78 9.424 3.636 -4.471 1.00 0.00 C ATOM 837 C GLN A 78 9.057 5.002 -5.055 1.00 0.00 C ATOM 838 O GLN A 78 9.908 5.883 -5.166 1.00 0.00 O ATOM 839 CB GLN A 78 9.769 2.640 -5.580 1.00 0.00 C ATOM 840 CG GLN A 78 11.165 2.911 -6.145 1.00 0.00 C ATOM 841 CD GLN A 78 12.204 2.994 -5.025 1.00 0.00 C ATOM 842 OE1 GLN A 78 12.482 2.031 -4.329 1.00 0.00 O ATOM 843 NE2 GLN A 78 12.760 4.195 -4.891 1.00 0.00 N ATOM 0 H GLN A 78 7.770 2.413 -4.074 1.00 0.00 H new ATOM 0 HA GLN A 78 10.310 3.756 -3.847 1.00 0.00 H new ATOM 0 HB2 GLN A 78 9.722 1.624 -5.189 1.00 0.00 H new ATOM 0 HB3 GLN A 78 9.030 2.709 -6.378 1.00 0.00 H new ATOM 0 HG2 GLN A 78 11.439 2.119 -6.842 1.00 0.00 H new ATOM 0 HG3 GLN A 78 11.158 3.844 -6.709 1.00 0.00 H new ATOM 0 HE21 GLN A 78 12.481 4.958 -5.508 1.00 0.00 H new ATOM 0 HE22 GLN A 78 13.466 4.353 -4.171 1.00 0.00 H new ATOM 852 N ARG A 79 7.788 5.134 -5.414 1.00 0.00 N ATOM 853 CA ARG A 79 7.298 6.377 -5.985 1.00 0.00 C ATOM 854 C ARG A 79 7.414 7.512 -4.964 1.00 0.00 C ATOM 855 O ARG A 79 7.668 8.658 -5.332 1.00 0.00 O ATOM 856 CB ARG A 79 5.838 6.243 -6.424 1.00 0.00 C ATOM 857 CG ARG A 79 5.718 6.290 -7.948 1.00 0.00 C ATOM 858 CD ARG A 79 4.402 5.664 -8.414 1.00 0.00 C ATOM 859 NE ARG A 79 4.483 5.328 -9.853 1.00 0.00 N ATOM 860 CZ ARG A 79 4.247 6.200 -10.843 1.00 0.00 C ATOM 861 NH1 ARG A 79 3.914 7.466 -10.555 1.00 0.00 N ATOM 862 NH2 ARG A 79 4.343 5.806 -12.120 1.00 0.00 N ATOM 0 H ARG A 79 7.085 4.401 -5.320 1.00 0.00 H new ATOM 0 HA ARG A 79 7.909 6.605 -6.858 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.427 5.304 -6.052 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.247 7.046 -5.984 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.774 7.324 -8.289 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.557 5.760 -8.399 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.191 4.766 -7.834 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.578 6.356 -8.240 1.00 0.00 H new ATOM 0 HE ARG A 79 4.734 4.373 -10.107 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.840 7.765 -9.583 1.00 0.00 H new ATOM 0 HH12 ARG A 79 3.734 8.130 -11.308 1.00 0.00 H new ATOM 0 HH21 ARG A 79 4.596 4.842 -12.339 1.00 0.00 H new ATOM 0 HH22 ARG A 79 4.163 6.470 -12.873 1.00 0.00 H new ATOM 876 N LEU A 80 7.222 7.153 -3.703 1.00 0.00 N ATOM 877 CA LEU A 80 7.303 8.126 -2.628 1.00 0.00 C ATOM 878 C LEU A 80 8.717 8.709 -2.578 1.00 0.00 C ATOM 879 O LEU A 80 8.890 9.926 -2.535 1.00 0.00 O ATOM 880 CB LEU A 80 6.847 7.504 -1.307 1.00 0.00 C ATOM 881 CG LEU A 80 5.345 7.245 -1.171 1.00 0.00 C ATOM 882 CD1 LEU A 80 5.048 6.369 0.048 1.00 0.00 C ATOM 883 CD2 LEU A 80 4.562 8.559 -1.137 1.00 0.00 C ATOM 0 H LEU A 80 7.011 6.202 -3.402 1.00 0.00 H new ATOM 0 HA LEU A 80 6.622 8.957 -2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.372 6.558 -1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.158 8.159 -0.493 1.00 0.00 H new ATOM 0 HG LEU A 80 5.012 6.695 -2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.974 6.200 0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.559 5.412 -0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.399 6.870 0.950 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.497 8.346 -1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.891 9.157 -0.287 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.739 9.112 -2.060 1.00 0.00 H new ATOM 895 N VAL A 81 9.692 7.812 -2.584 1.00 0.00 N ATOM 896 CA VAL A 81 11.086 8.222 -2.539 1.00 0.00 C ATOM 897 C VAL A 81 11.360 9.206 -3.678 1.00 0.00 C ATOM 898 O VAL A 81 11.809 10.326 -3.440 1.00 0.00 O ATOM 899 CB VAL A 81 11.994 6.992 -2.581 1.00 0.00 C ATOM 900 CG1 VAL A 81 13.412 7.372 -3.012 1.00 0.00 C ATOM 901 CG2 VAL A 81 12.006 6.272 -1.231 1.00 0.00 C ATOM 0 H VAL A 81 9.545 6.803 -2.619 1.00 0.00 H new ATOM 0 HA VAL A 81 11.303 8.738 -1.604 1.00 0.00 H new ATOM 0 HB VAL A 81 11.591 6.304 -3.324 1.00 0.00 H new ATOM 0 HG11 VAL A 81 14.037 6.479 -3.034 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.383 7.819 -4.006 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.828 8.089 -2.304 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.659 5.401 -1.289 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.372 6.950 -0.460 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.995 5.951 -0.981 1.00 0.00 H new ATOM 911 N VAL A 82 11.078 8.753 -4.891 1.00 0.00 N ATOM 912 CA VAL A 82 11.289 9.580 -6.067 1.00 0.00 C ATOM 913 C VAL A 82 10.551 10.908 -5.890 1.00 0.00 C ATOM 914 O VAL A 82 11.040 11.955 -6.311 1.00 0.00 O ATOM 915 CB VAL A 82 10.860 8.820 -7.324 1.00 0.00 C ATOM 916 CG1 VAL A 82 10.787 9.757 -8.532 1.00 0.00 C ATOM 917 CG2 VAL A 82 11.796 7.642 -7.599 1.00 0.00 C ATOM 0 H VAL A 82 10.705 7.824 -5.085 1.00 0.00 H new ATOM 0 HA VAL A 82 12.348 9.810 -6.188 1.00 0.00 H new ATOM 0 HB VAL A 82 9.861 8.420 -7.149 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.480 9.192 -9.412 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.062 10.547 -8.336 1.00 0.00 H new ATOM 0 HG13 VAL A 82 11.767 10.200 -8.709 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.468 7.119 -8.498 1.00 0.00 H new ATOM 0 HG22 VAL A 82 12.812 8.010 -7.743 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.776 6.956 -6.752 1.00 0.00 H new ATOM 927 N ALA A 83 9.385 10.822 -5.265 1.00 0.00 N ATOM 928 CA ALA A 83 8.575 12.005 -5.027 1.00 0.00 C ATOM 929 C ALA A 83 9.318 12.944 -4.076 1.00 0.00 C ATOM 930 O ALA A 83 9.193 14.163 -4.178 1.00 0.00 O ATOM 931 CB ALA A 83 7.208 11.585 -4.482 1.00 0.00 C ATOM 0 H ALA A 83 8.982 9.952 -4.917 1.00 0.00 H new ATOM 0 HA ALA A 83 8.404 12.547 -5.957 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.600 12.472 -4.303 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.709 10.943 -5.207 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.341 11.041 -3.547 1.00 0.00 H new ATOM 937 N GLY A 84 10.076 12.341 -3.172 1.00 0.00 N ATOM 938 CA GLY A 84 10.840 13.108 -2.203 1.00 0.00 C ATOM 939 C GLY A 84 10.608 12.586 -0.784 1.00 0.00 C ATOM 940 O GLY A 84 10.451 13.369 0.152 1.00 0.00 O ATOM 0 H GLY A 84 10.177 11.329 -3.090 1.00 0.00 H new ATOM 0 HA2 GLY A 84 11.901 13.053 -2.446 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.555 14.158 -2.259 1.00 0.00 H new ATOM 944 N ALA A 85 10.593 11.266 -0.668 1.00 0.00 N ATOM 945 CA ALA A 85 10.382 10.630 0.621 1.00 0.00 C ATOM 946 C ALA A 85 11.692 9.993 1.091 1.00 0.00 C ATOM 947 O ALA A 85 12.566 9.692 0.279 1.00 0.00 O ATOM 948 CB ALA A 85 9.246 9.611 0.508 1.00 0.00 C ATOM 0 H ALA A 85 10.724 10.620 -1.446 1.00 0.00 H new ATOM 0 HA ALA A 85 10.086 11.366 1.368 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.088 9.134 1.475 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.332 10.118 0.200 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.508 8.854 -0.231 1.00 0.00 H new ATOM 954 N GLU A 86 11.787 9.807 2.399 1.00 0.00 N ATOM 955 CA GLU A 86 12.975 9.212 2.986 1.00 0.00 C ATOM 956 C GLU A 86 13.145 7.773 2.496 1.00 0.00 C ATOM 957 O GLU A 86 12.167 7.110 2.153 1.00 0.00 O ATOM 958 CB GLU A 86 12.918 9.268 4.514 1.00 0.00 C ATOM 959 CG GLU A 86 14.184 9.907 5.087 1.00 0.00 C ATOM 960 CD GLU A 86 14.320 11.361 4.629 1.00 0.00 C ATOM 961 OE1 GLU A 86 15.174 11.602 3.750 1.00 0.00 O ATOM 962 OE2 GLU A 86 13.565 12.199 5.170 1.00 0.00 O ATOM 0 H GLU A 86 11.060 10.058 3.069 1.00 0.00 H new ATOM 0 HA GLU A 86 13.843 9.789 2.666 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.044 9.839 4.828 1.00 0.00 H new ATOM 0 HB3 GLU A 86 12.802 8.261 4.914 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.155 9.866 6.176 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.058 9.339 4.769 1.00 0.00 H new ATOM 969 N ASP A 87 14.394 7.331 2.479 1.00 0.00 N ATOM 970 CA ASP A 87 14.705 5.983 2.036 1.00 0.00 C ATOM 971 C ASP A 87 15.648 5.324 3.046 1.00 0.00 C ATOM 972 O ASP A 87 16.827 5.666 3.114 1.00 0.00 O ATOM 973 CB ASP A 87 15.405 5.997 0.676 1.00 0.00 C ATOM 974 CG ASP A 87 15.081 4.808 -0.231 1.00 0.00 C ATOM 975 OD1 ASP A 87 15.076 3.676 0.298 1.00 0.00 O ATOM 976 OD2 ASP A 87 14.844 5.059 -1.432 1.00 0.00 O ATOM 0 H ASP A 87 15.203 7.883 2.765 1.00 0.00 H new ATOM 0 HA ASP A 87 13.769 5.431 1.954 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.136 6.916 0.155 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.482 6.027 0.839 1.00 0.00 H new ATOM 981 N GLN A 88 15.092 4.390 3.804 1.00 0.00 N ATOM 982 CA GLN A 88 15.868 3.681 4.806 1.00 0.00 C ATOM 983 C GLN A 88 15.853 2.177 4.523 1.00 0.00 C ATOM 984 O GLN A 88 16.621 1.422 5.117 1.00 0.00 O ATOM 985 CB GLN A 88 15.348 3.978 6.214 1.00 0.00 C ATOM 986 CG GLN A 88 14.963 5.452 6.356 1.00 0.00 C ATOM 987 CD GLN A 88 16.158 6.362 6.065 1.00 0.00 C ATOM 988 OE1 GLN A 88 17.267 5.914 5.823 1.00 0.00 O ATOM 989 NE2 GLN A 88 15.871 7.660 6.101 1.00 0.00 N ATOM 0 H GLN A 88 14.114 4.108 3.744 1.00 0.00 H new ATOM 0 HA GLN A 88 16.899 4.031 4.753 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.483 3.350 6.426 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.112 3.726 6.949 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.148 5.686 5.671 1.00 0.00 H new ATOM 0 HG3 GLN A 88 14.596 5.640 7.365 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.921 7.967 6.310 1.00 0.00 H new ATOM 0 HE22 GLN A 88 16.601 8.349 5.920 1.00 0.00 H new ATOM 998 N ARG A 89 14.971 1.787 3.614 1.00 0.00 N ATOM 999 CA ARG A 89 14.846 0.388 3.245 1.00 0.00 C ATOM 1000 C ARG A 89 16.213 -0.185 2.864 1.00 0.00 C ATOM 1001 O ARG A 89 16.600 -1.249 3.344 1.00 0.00 O ATOM 1002 CB ARG A 89 13.882 0.212 2.070 1.00 0.00 C ATOM 1003 CG ARG A 89 12.832 -0.857 2.377 1.00 0.00 C ATOM 1004 CD ARG A 89 13.145 -2.161 1.639 1.00 0.00 C ATOM 1005 NE ARG A 89 12.547 -3.306 2.360 1.00 0.00 N ATOM 1006 CZ ARG A 89 12.808 -4.590 2.079 1.00 0.00 C ATOM 1007 NH1 ARG A 89 13.658 -4.900 1.091 1.00 0.00 N ATOM 1008 NH2 ARG A 89 12.219 -5.564 2.786 1.00 0.00 N ATOM 0 H ARG A 89 14.336 2.416 3.122 1.00 0.00 H new ATOM 0 HA ARG A 89 14.451 -0.148 4.108 1.00 0.00 H new ATOM 0 HB2 ARG A 89 13.389 1.160 1.855 1.00 0.00 H new ATOM 0 HB3 ARG A 89 14.440 -0.067 1.176 1.00 0.00 H new ATOM 0 HG2 ARG A 89 12.799 -1.042 3.451 1.00 0.00 H new ATOM 0 HG3 ARG A 89 11.845 -0.497 2.085 1.00 0.00 H new ATOM 0 HD2 ARG A 89 12.754 -2.116 0.623 1.00 0.00 H new ATOM 0 HD3 ARG A 89 14.224 -2.294 1.560 1.00 0.00 H new ATOM 0 HE ARG A 89 11.895 -3.106 3.119 1.00 0.00 H new ATOM 0 HH11 ARG A 89 14.106 -4.159 0.553 1.00 0.00 H new ATOM 0 HH12 ARG A 89 13.857 -5.877 0.877 1.00 0.00 H new ATOM 0 HH21 ARG A 89 11.572 -5.328 3.538 1.00 0.00 H new ATOM 0 HH22 ARG A 89 12.418 -6.541 2.572 1.00 0.00 H new