USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 406 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 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 30:sc= 0 USER MOD Single : A 98 SER OG : rot -151:sc= 0.887 USER MOD Single : A 100 GLN : amide:sc= -0.0248 X(o=-0.025,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.024) USER MOD Single : A 105 MET CE :methyl -130:sc= -3.34! (180deg=-4.08!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot -147:sc= 1.58 USER MOD Single : A 131 ASN : amide:sc= -3.54! C(o=-3.5!,f=-12!) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N ILE A 81 11.517 -0.983 1.751 1.00 0.00 N ATOM 40 CA ILE A 81 10.391 -1.585 0.965 1.00 0.00 C ATOM 41 C ILE A 81 9.096 -0.816 1.259 1.00 0.00 C ATOM 42 O ILE A 81 8.120 -1.404 1.669 1.00 0.00 O ATOM 43 CB ILE A 81 10.304 -3.058 1.464 1.00 0.00 C ATOM 44 CG1 ILE A 81 9.301 -3.930 0.639 1.00 0.00 C ATOM 45 CG2 ILE A 81 9.868 -3.078 2.937 1.00 0.00 C ATOM 46 CD1 ILE A 81 9.239 -3.493 -0.831 1.00 0.00 C ATOM 0 HA ILE A 81 10.546 -1.540 -0.113 1.00 0.00 H new ATOM 0 HB ILE A 81 11.298 -3.487 1.337 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.599 -4.977 0.694 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.308 -3.858 1.082 1.00 0.00 H new ATOM 0 HG21 ILE A 81 9.808 -4.109 3.285 1.00 0.00 H new ATOM 0 HG22 ILE A 81 10.596 -2.534 3.539 1.00 0.00 H new ATOM 0 HG23 ILE A 81 8.891 -2.605 3.034 1.00 0.00 H new ATOM 0 HD11 ILE A 81 8.531 -4.124 -1.369 1.00 0.00 H new ATOM 0 HD12 ILE A 81 8.915 -2.454 -0.888 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.227 -3.591 -1.282 1.00 0.00 H new ATOM 58 N ILE A 82 9.077 0.491 1.078 1.00 0.00 N ATOM 59 CA ILE A 82 7.818 1.246 1.381 1.00 0.00 C ATOM 60 C ILE A 82 7.276 1.923 0.128 1.00 0.00 C ATOM 61 O ILE A 82 7.966 2.063 -0.853 1.00 0.00 O ATOM 62 CB ILE A 82 8.190 2.287 2.444 1.00 0.00 C ATOM 63 CG1 ILE A 82 8.750 1.579 3.683 1.00 0.00 C ATOM 64 CG2 ILE A 82 6.943 3.091 2.842 1.00 0.00 C ATOM 65 CD1 ILE A 82 9.415 2.607 4.600 1.00 0.00 C ATOM 0 H ILE A 82 9.860 1.052 0.742 1.00 0.00 H new ATOM 0 HA ILE A 82 7.034 0.578 1.738 1.00 0.00 H new ATOM 0 HB ILE A 82 8.943 2.961 2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 82 7.949 1.066 4.215 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.473 0.820 3.385 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.212 3.829 3.597 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.542 3.599 1.965 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.189 2.416 3.247 1.00 0.00 H new ATOM 0 HD11 ILE A 82 9.813 2.104 5.481 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.227 3.100 4.065 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.679 3.350 4.908 1.00 0.00 H new ATOM 77 N VAL A 83 6.041 2.347 0.170 1.00 0.00 N ATOM 78 CA VAL A 83 5.426 3.032 -1.006 1.00 0.00 C ATOM 79 C VAL A 83 4.518 4.166 -0.523 1.00 0.00 C ATOM 80 O VAL A 83 4.254 4.302 0.659 1.00 0.00 O ATOM 81 CB VAL A 83 4.567 1.976 -1.734 1.00 0.00 C ATOM 82 CG1 VAL A 83 5.439 0.879 -2.352 1.00 0.00 C ATOM 83 CG2 VAL A 83 3.576 1.341 -0.752 1.00 0.00 C ATOM 0 H VAL A 83 5.425 2.247 0.977 1.00 0.00 H new ATOM 0 HA VAL A 83 6.191 3.449 -1.661 1.00 0.00 H new ATOM 0 HB VAL A 83 4.026 2.480 -2.534 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.804 0.151 -2.857 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.126 1.323 -3.072 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.008 0.381 -1.567 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.974 0.597 -1.273 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.124 0.861 0.059 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.925 2.113 -0.342 1.00 0.00 H new ATOM 93 N VAL A 84 4.004 4.950 -1.431 1.00 0.00 N ATOM 94 CA VAL A 84 3.073 6.045 -1.038 1.00 0.00 C ATOM 95 C VAL A 84 1.832 5.991 -1.935 1.00 0.00 C ATOM 96 O VAL A 84 1.936 5.955 -3.150 1.00 0.00 O ATOM 97 CB VAL A 84 3.857 7.367 -1.198 1.00 0.00 C ATOM 98 CG1 VAL A 84 3.972 7.779 -2.672 1.00 0.00 C ATOM 99 CG2 VAL A 84 3.125 8.475 -0.441 1.00 0.00 C ATOM 0 H VAL A 84 4.190 4.879 -2.431 1.00 0.00 H new ATOM 0 HA VAL A 84 2.725 5.953 -0.009 1.00 0.00 H new ATOM 0 HB VAL A 84 4.860 7.215 -0.800 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.529 8.713 -2.746 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.494 7.000 -3.228 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.975 7.917 -3.090 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.672 9.412 -0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.121 8.592 -0.849 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.060 8.212 0.615 1.00 0.00 H new ATOM 109 N ALA A 85 0.669 5.975 -1.344 1.00 0.00 N ATOM 110 CA ALA A 85 -0.574 5.927 -2.156 1.00 0.00 C ATOM 111 C ALA A 85 -0.757 7.263 -2.857 1.00 0.00 C ATOM 112 O ALA A 85 -0.929 8.285 -2.212 1.00 0.00 O ATOM 113 CB ALA A 85 -1.707 5.683 -1.164 1.00 0.00 C ATOM 0 H ALA A 85 0.528 5.993 -0.334 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.547 5.148 -2.918 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.655 5.637 -1.699 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.538 4.741 -0.643 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.738 6.497 -0.440 1.00 0.00 H new ATOM 119 N LEU A 86 -0.713 7.261 -4.169 1.00 0.00 N ATOM 120 CA LEU A 86 -0.868 8.533 -4.932 1.00 0.00 C ATOM 121 C LEU A 86 -2.325 8.753 -5.356 1.00 0.00 C ATOM 122 O LEU A 86 -2.634 9.722 -6.021 1.00 0.00 O ATOM 123 CB LEU A 86 0.028 8.370 -6.162 1.00 0.00 C ATOM 124 CG LEU A 86 1.500 8.392 -5.736 1.00 0.00 C ATOM 125 CD1 LEU A 86 2.391 8.182 -6.961 1.00 0.00 C ATOM 126 CD2 LEU A 86 1.835 9.743 -5.094 1.00 0.00 C ATOM 0 H LEU A 86 -0.576 6.429 -4.742 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.591 9.398 -4.329 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.200 7.432 -6.668 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.166 9.172 -6.874 1.00 0.00 H new ATOM 0 HG LEU A 86 1.674 7.594 -5.014 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.438 8.198 -6.657 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.160 7.220 -7.418 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.211 8.979 -7.683 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.883 9.753 -4.793 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.656 10.542 -5.814 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.204 9.896 -4.218 1.00 0.00 H new ATOM 138 N TYR A 87 -3.228 7.878 -4.965 1.00 0.00 N ATOM 139 CA TYR A 87 -4.672 8.073 -5.330 1.00 0.00 C ATOM 140 C TYR A 87 -5.549 7.464 -4.230 1.00 0.00 C ATOM 141 O TYR A 87 -5.152 6.526 -3.564 1.00 0.00 O ATOM 142 CB TYR A 87 -4.902 7.346 -6.667 1.00 0.00 C ATOM 143 CG TYR A 87 -3.870 7.765 -7.688 1.00 0.00 C ATOM 144 CD1 TYR A 87 -4.057 8.927 -8.444 1.00 0.00 C ATOM 145 CD2 TYR A 87 -2.723 6.984 -7.872 1.00 0.00 C ATOM 146 CE1 TYR A 87 -3.095 9.310 -9.386 1.00 0.00 C ATOM 147 CE2 TYR A 87 -1.762 7.365 -8.813 1.00 0.00 C ATOM 148 CZ TYR A 87 -1.947 8.529 -9.571 1.00 0.00 C ATOM 149 OH TYR A 87 -1.000 8.904 -10.501 1.00 0.00 O ATOM 0 H TYR A 87 -3.029 7.044 -4.413 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.925 9.129 -5.427 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.852 6.268 -6.514 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.901 7.569 -7.040 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -4.943 9.528 -8.301 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.581 6.087 -7.287 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -3.238 10.207 -9.970 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -0.877 6.762 -8.956 1.00 0.00 H new ATOM 0 HH TYR A 87 -0.267 8.254 -10.502 1.00 0.00 H new ATOM 159 N ASP A 88 -6.726 8.001 -4.023 1.00 0.00 N ATOM 160 CA ASP A 88 -7.621 7.462 -2.953 1.00 0.00 C ATOM 161 C ASP A 88 -8.179 6.098 -3.369 1.00 0.00 C ATOM 162 O ASP A 88 -8.434 5.860 -4.534 1.00 0.00 O ATOM 163 CB ASP A 88 -8.750 8.486 -2.803 1.00 0.00 C ATOM 164 CG ASP A 88 -8.197 9.768 -2.177 1.00 0.00 C ATOM 165 OD1 ASP A 88 -7.536 9.669 -1.157 1.00 0.00 O ATOM 166 OD2 ASP A 88 -8.443 10.827 -2.731 1.00 0.00 O ATOM 0 H ASP A 88 -7.105 8.789 -4.548 1.00 0.00 H new ATOM 0 HA ASP A 88 -7.089 7.316 -2.013 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.189 8.704 -3.777 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.545 8.078 -2.179 1.00 0.00 H new ATOM 171 N TYR A 89 -8.360 5.198 -2.430 1.00 0.00 N ATOM 172 CA TYR A 89 -8.897 3.841 -2.785 1.00 0.00 C ATOM 173 C TYR A 89 -9.587 3.189 -1.578 1.00 0.00 C ATOM 174 O TYR A 89 -8.982 2.991 -0.542 1.00 0.00 O ATOM 175 CB TYR A 89 -7.658 3.044 -3.196 1.00 0.00 C ATOM 176 CG TYR A 89 -8.072 1.811 -3.961 1.00 0.00 C ATOM 177 CD1 TYR A 89 -8.751 1.934 -5.180 1.00 0.00 C ATOM 178 CD2 TYR A 89 -7.781 0.541 -3.449 1.00 0.00 C ATOM 179 CE1 TYR A 89 -9.137 0.788 -5.887 1.00 0.00 C ATOM 180 CE2 TYR A 89 -8.167 -0.606 -4.155 1.00 0.00 C ATOM 181 CZ TYR A 89 -8.846 -0.482 -5.373 1.00 0.00 C ATOM 182 OH TYR A 89 -9.226 -1.611 -6.069 1.00 0.00 O ATOM 0 H TYR A 89 -8.161 5.341 -1.440 1.00 0.00 H new ATOM 0 HA TYR A 89 -9.648 3.885 -3.573 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.005 3.662 -3.812 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.088 2.760 -2.312 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.977 2.913 -5.575 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.258 0.445 -2.509 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.659 0.884 -6.828 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.941 -1.585 -3.760 1.00 0.00 H new ATOM 0 HH TYR A 89 -9.232 -1.417 -7.029 1.00 0.00 H new ATOM 192 N GLU A 90 -10.849 2.844 -1.710 1.00 0.00 N ATOM 193 CA GLU A 90 -11.583 2.200 -0.575 1.00 0.00 C ATOM 194 C GLU A 90 -11.597 0.672 -0.733 1.00 0.00 C ATOM 195 O GLU A 90 -12.021 0.149 -1.744 1.00 0.00 O ATOM 196 CB GLU A 90 -13.002 2.765 -0.655 1.00 0.00 C ATOM 197 CG GLU A 90 -13.048 4.123 0.051 1.00 0.00 C ATOM 198 CD GLU A 90 -14.501 4.505 0.346 1.00 0.00 C ATOM 199 OE1 GLU A 90 -15.173 3.731 1.007 1.00 0.00 O ATOM 200 OE2 GLU A 90 -14.914 5.565 -0.092 1.00 0.00 O ATOM 0 H GLU A 90 -11.401 2.982 -2.557 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.113 2.405 0.387 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -13.304 2.874 -1.697 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.707 2.076 -0.189 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -12.478 4.080 0.979 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.582 4.884 -0.574 1.00 0.00 H new ATOM 207 N ALA A 91 -11.124 -0.041 0.264 1.00 0.00 N ATOM 208 CA ALA A 91 -11.094 -1.542 0.194 1.00 0.00 C ATOM 209 C ALA A 91 -12.512 -2.124 0.035 1.00 0.00 C ATOM 210 O ALA A 91 -13.388 -1.498 -0.528 1.00 0.00 O ATOM 211 CB ALA A 91 -10.462 -1.989 1.519 1.00 0.00 C ATOM 0 H ALA A 91 -10.755 0.354 1.129 1.00 0.00 H new ATOM 0 HA ALA A 91 -10.529 -1.895 -0.669 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -10.404 -3.077 1.546 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.459 -1.570 1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -11.073 -1.637 2.350 1.00 0.00 H new ATOM 285 N ASP A 96 -7.816 -6.545 2.204 1.00 0.00 N ATOM 286 CA ASP A 96 -7.790 -5.280 1.381 1.00 0.00 C ATOM 287 C ASP A 96 -7.833 -4.029 2.279 1.00 0.00 C ATOM 288 O ASP A 96 -8.700 -3.893 3.121 1.00 0.00 O ATOM 289 CB ASP A 96 -9.041 -5.347 0.489 1.00 0.00 C ATOM 290 CG ASP A 96 -10.293 -5.635 1.332 1.00 0.00 C ATOM 291 OD1 ASP A 96 -10.763 -4.727 1.995 1.00 0.00 O ATOM 292 OD2 ASP A 96 -10.759 -6.762 1.294 1.00 0.00 O ATOM 0 HA ASP A 96 -6.873 -5.206 0.796 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.164 -4.405 -0.045 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.916 -6.125 -0.264 1.00 0.00 H new ATOM 297 N LEU A 97 -6.889 -3.133 2.116 1.00 0.00 N ATOM 298 CA LEU A 97 -6.856 -1.903 2.971 1.00 0.00 C ATOM 299 C LEU A 97 -7.226 -0.657 2.157 1.00 0.00 C ATOM 300 O LEU A 97 -6.903 -0.543 0.990 1.00 0.00 O ATOM 301 CB LEU A 97 -5.407 -1.805 3.468 1.00 0.00 C ATOM 302 CG LEU A 97 -5.231 -0.540 4.326 1.00 0.00 C ATOM 303 CD1 LEU A 97 -4.405 -0.868 5.571 1.00 0.00 C ATOM 304 CD2 LEU A 97 -4.512 0.538 3.510 1.00 0.00 C ATOM 0 H LEU A 97 -6.139 -3.200 1.428 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.573 -1.961 3.790 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.153 -2.689 4.053 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.724 -1.777 2.619 1.00 0.00 H new ATOM 0 HG LEU A 97 -6.212 -0.175 4.629 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.284 0.032 6.175 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.917 -1.632 6.157 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.425 -1.238 5.270 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.388 1.433 4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.533 0.170 3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.102 0.779 2.626 1.00 0.00 H new ATOM 316 N SER A 98 -7.882 0.285 2.787 1.00 0.00 N ATOM 317 CA SER A 98 -8.269 1.544 2.086 1.00 0.00 C ATOM 318 C SER A 98 -7.247 2.639 2.388 1.00 0.00 C ATOM 319 O SER A 98 -7.051 3.014 3.528 1.00 0.00 O ATOM 320 CB SER A 98 -9.622 1.934 2.676 1.00 0.00 C ATOM 321 OG SER A 98 -10.416 0.771 2.873 1.00 0.00 O ATOM 0 H SER A 98 -8.168 0.234 3.765 1.00 0.00 H new ATOM 0 HA SER A 98 -8.312 1.412 1.005 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.479 2.453 3.624 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.134 2.626 2.008 1.00 0.00 H new ATOM 0 HG SER A 98 -11.364 1.006 2.799 1.00 0.00 H new ATOM 327 N PHE A 99 -6.606 3.160 1.377 1.00 0.00 N ATOM 328 CA PHE A 99 -5.595 4.247 1.600 1.00 0.00 C ATOM 329 C PHE A 99 -6.056 5.557 0.955 1.00 0.00 C ATOM 330 O PHE A 99 -7.192 5.684 0.528 1.00 0.00 O ATOM 331 CB PHE A 99 -4.278 3.758 0.980 1.00 0.00 C ATOM 332 CG PHE A 99 -4.484 3.211 -0.419 1.00 0.00 C ATOM 333 CD1 PHE A 99 -4.553 4.080 -1.512 1.00 0.00 C ATOM 334 CD2 PHE A 99 -4.576 1.827 -0.619 1.00 0.00 C ATOM 335 CE1 PHE A 99 -4.719 3.569 -2.805 1.00 0.00 C ATOM 336 CE2 PHE A 99 -4.738 1.315 -1.912 1.00 0.00 C ATOM 337 CZ PHE A 99 -4.808 2.187 -3.006 1.00 0.00 C ATOM 0 H PHE A 99 -6.735 2.883 0.404 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.467 4.451 2.663 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.564 4.581 0.947 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.844 2.984 1.613 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.478 5.146 -1.359 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.522 1.155 0.225 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.778 4.242 -3.648 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.809 0.248 -2.066 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.931 1.793 -4.004 1.00 0.00 H new ATOM 347 N GLN A 100 -5.192 6.545 0.911 1.00 0.00 N ATOM 348 CA GLN A 100 -5.592 7.860 0.329 1.00 0.00 C ATOM 349 C GLN A 100 -4.636 8.316 -0.784 1.00 0.00 C ATOM 350 O GLN A 100 -3.670 7.659 -1.120 1.00 0.00 O ATOM 351 CB GLN A 100 -5.558 8.842 1.506 1.00 0.00 C ATOM 352 CG GLN A 100 -6.920 9.520 1.648 1.00 0.00 C ATOM 353 CD GLN A 100 -7.143 9.916 3.107 1.00 0.00 C ATOM 354 OE1 GLN A 100 -7.164 11.085 3.434 1.00 0.00 O ATOM 355 NE2 GLN A 100 -7.306 8.985 4.005 1.00 0.00 N ATOM 0 H GLN A 100 -4.232 6.495 1.252 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.575 7.799 -0.138 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.306 8.314 2.426 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.783 9.591 1.345 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.967 10.402 1.009 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.710 8.845 1.318 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.288 8.003 3.730 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -7.451 9.239 4.982 1.00 0.00 H new ATOM 364 N LYS A 101 -4.960 9.433 -1.374 1.00 0.00 N ATOM 365 CA LYS A 101 -4.161 9.997 -2.513 1.00 0.00 C ATOM 366 C LYS A 101 -2.712 10.339 -2.173 1.00 0.00 C ATOM 367 O LYS A 101 -1.887 10.478 -3.054 1.00 0.00 O ATOM 368 CB LYS A 101 -4.903 11.259 -2.903 1.00 0.00 C ATOM 369 CG LYS A 101 -4.364 11.761 -4.230 1.00 0.00 C ATOM 370 CD LYS A 101 -5.498 12.417 -5.010 1.00 0.00 C ATOM 371 CE LYS A 101 -6.452 11.336 -5.529 1.00 0.00 C ATOM 372 NZ LYS A 101 -7.602 12.084 -6.106 1.00 0.00 N ATOM 0 H LYS A 101 -5.767 9.998 -1.110 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.081 9.252 -3.305 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.971 11.058 -2.983 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.779 12.021 -2.134 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.559 12.476 -4.063 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.942 10.935 -4.802 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -6.037 13.116 -4.371 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -5.095 12.993 -5.843 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.970 10.712 -6.281 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.775 10.675 -4.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.300 11.411 -6.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -8.045 12.664 -5.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.266 12.700 -6.873 1.00 0.00 H new ATOM 386 N GLY A 102 -2.408 10.507 -0.937 1.00 0.00 N ATOM 387 CA GLY A 102 -1.008 10.871 -0.545 1.00 0.00 C ATOM 388 C GLY A 102 -0.645 10.161 0.752 1.00 0.00 C ATOM 389 O GLY A 102 -0.006 10.721 1.621 1.00 0.00 O ATOM 0 H GLY A 102 -3.063 10.411 -0.161 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -0.312 10.588 -1.335 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.923 11.950 -0.418 1.00 0.00 H new ATOM 393 N ASP A 103 -1.057 8.933 0.884 1.00 0.00 N ATOM 394 CA ASP A 103 -0.748 8.167 2.144 1.00 0.00 C ATOM 395 C ASP A 103 0.571 7.391 2.028 1.00 0.00 C ATOM 396 O ASP A 103 1.136 7.267 0.966 1.00 0.00 O ATOM 397 CB ASP A 103 -1.922 7.208 2.337 1.00 0.00 C ATOM 398 CG ASP A 103 -2.998 7.888 3.186 1.00 0.00 C ATOM 399 OD1 ASP A 103 -3.167 9.088 3.047 1.00 0.00 O ATOM 400 OD2 ASP A 103 -3.637 7.194 3.961 1.00 0.00 O ATOM 0 H ASP A 103 -1.592 8.420 0.184 1.00 0.00 H new ATOM 0 HA ASP A 103 -0.625 8.841 2.992 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.334 6.920 1.370 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -1.583 6.294 2.824 1.00 0.00 H new ATOM 405 N GLN A 104 1.048 6.847 3.123 1.00 0.00 N ATOM 406 CA GLN A 104 2.309 6.056 3.092 1.00 0.00 C ATOM 407 C GLN A 104 2.057 4.642 3.612 1.00 0.00 C ATOM 408 O GLN A 104 1.596 4.453 4.722 1.00 0.00 O ATOM 409 CB GLN A 104 3.284 6.791 4.013 1.00 0.00 C ATOM 410 CG GLN A 104 4.093 7.808 3.204 1.00 0.00 C ATOM 411 CD GLN A 104 5.530 7.844 3.733 1.00 0.00 C ATOM 412 OE1 GLN A 104 6.018 8.879 4.139 1.00 0.00 O ATOM 413 NE2 GLN A 104 6.229 6.739 3.750 1.00 0.00 N ATOM 0 H GLN A 104 0.611 6.921 4.041 1.00 0.00 H new ATOM 0 HA GLN A 104 2.702 5.965 2.080 1.00 0.00 H new ATOM 0 HB2 GLN A 104 2.736 7.297 4.808 1.00 0.00 H new ATOM 0 HB3 GLN A 104 3.954 6.077 4.492 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.088 7.537 2.148 1.00 0.00 H new ATOM 0 HG3 GLN A 104 3.639 8.796 3.282 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.818 5.870 3.409 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.185 6.746 4.105 1.00 0.00 H new ATOM 422 N MET A 105 2.370 3.656 2.821 1.00 0.00 N ATOM 423 CA MET A 105 2.172 2.241 3.252 1.00 0.00 C ATOM 424 C MET A 105 3.459 1.465 3.014 1.00 0.00 C ATOM 425 O MET A 105 4.212 1.772 2.113 1.00 0.00 O ATOM 426 CB MET A 105 1.057 1.694 2.360 1.00 0.00 C ATOM 427 CG MET A 105 -0.251 2.429 2.651 1.00 0.00 C ATOM 428 SD MET A 105 -1.613 1.582 1.813 1.00 0.00 S ATOM 429 CE MET A 105 -1.206 2.086 0.123 1.00 0.00 C ATOM 0 H MET A 105 2.759 3.769 1.885 1.00 0.00 H new ATOM 0 HA MET A 105 1.916 2.158 4.308 1.00 0.00 H new ATOM 0 HB2 MET A 105 1.327 1.815 1.311 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.931 0.626 2.535 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.433 2.460 3.725 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.185 3.462 2.309 1.00 0.00 H new ATOM 0 HE1 MET A 105 -2.095 2.492 -0.360 1.00 0.00 H new ATOM 0 HE2 MET A 105 -0.427 2.848 0.148 1.00 0.00 H new ATOM 0 HE3 MET A 105 -0.850 1.222 -0.439 1.00 0.00 H new ATOM 439 N VAL A 106 3.714 0.462 3.804 1.00 0.00 N ATOM 440 CA VAL A 106 4.950 -0.339 3.606 1.00 0.00 C ATOM 441 C VAL A 106 4.605 -1.566 2.779 1.00 0.00 C ATOM 442 O VAL A 106 3.494 -2.039 2.802 1.00 0.00 O ATOM 443 CB VAL A 106 5.422 -0.760 4.999 1.00 0.00 C ATOM 444 CG1 VAL A 106 6.768 -1.474 4.885 1.00 0.00 C ATOM 445 CG2 VAL A 106 5.577 0.471 5.902 1.00 0.00 C ATOM 0 H VAL A 106 3.120 0.163 4.577 1.00 0.00 H new ATOM 0 HA VAL A 106 5.727 0.224 3.089 1.00 0.00 H new ATOM 0 HB VAL A 106 4.682 -1.431 5.435 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.106 -1.775 5.877 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.659 -2.357 4.256 1.00 0.00 H new ATOM 0 HG13 VAL A 106 7.501 -0.800 4.441 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.913 0.157 6.890 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.310 1.151 5.468 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.618 0.981 5.990 1.00 0.00 H new ATOM 455 N VAL A 107 5.548 -2.084 2.063 1.00 0.00 N ATOM 456 CA VAL A 107 5.279 -3.292 1.231 1.00 0.00 C ATOM 457 C VAL A 107 5.688 -4.552 2.013 1.00 0.00 C ATOM 458 O VAL A 107 6.753 -4.628 2.596 1.00 0.00 O ATOM 459 CB VAL A 107 6.104 -3.093 -0.056 1.00 0.00 C ATOM 460 CG1 VAL A 107 6.243 -4.417 -0.826 1.00 0.00 C ATOM 461 CG2 VAL A 107 5.383 -2.081 -0.949 1.00 0.00 C ATOM 0 H VAL A 107 6.502 -1.727 2.012 1.00 0.00 H new ATOM 0 HA VAL A 107 4.226 -3.421 0.983 1.00 0.00 H new ATOM 0 HB VAL A 107 7.098 -2.736 0.215 1.00 0.00 H new ATOM 0 HG11 VAL A 107 6.829 -4.252 -1.730 1.00 0.00 H new ATOM 0 HG12 VAL A 107 6.745 -5.152 -0.197 1.00 0.00 H new ATOM 0 HG13 VAL A 107 5.254 -4.786 -1.097 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.956 -1.930 -1.864 1.00 0.00 H new ATOM 0 HG22 VAL A 107 4.392 -2.458 -1.200 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.287 -1.133 -0.420 1.00 0.00 H new ATOM 471 N LEU A 108 4.838 -5.536 2.001 1.00 0.00 N ATOM 472 CA LEU A 108 5.117 -6.814 2.715 1.00 0.00 C ATOM 473 C LEU A 108 5.726 -7.827 1.742 1.00 0.00 C ATOM 474 O LEU A 108 6.455 -8.717 2.134 1.00 0.00 O ATOM 475 CB LEU A 108 3.739 -7.323 3.160 1.00 0.00 C ATOM 476 CG LEU A 108 3.249 -6.580 4.407 1.00 0.00 C ATOM 477 CD1 LEU A 108 2.436 -5.368 3.985 1.00 0.00 C ATOM 478 CD2 LEU A 108 2.355 -7.511 5.235 1.00 0.00 C ATOM 0 H LEU A 108 3.941 -5.510 1.516 1.00 0.00 H new ATOM 0 HA LEU A 108 5.809 -6.677 3.546 1.00 0.00 H new ATOM 0 HB2 LEU A 108 3.021 -7.192 2.350 1.00 0.00 H new ATOM 0 HB3 LEU A 108 3.793 -8.392 3.368 1.00 0.00 H new ATOM 0 HG LEU A 108 4.107 -6.264 5.000 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.086 -4.838 4.871 1.00 0.00 H new ATOM 0 HD12 LEU A 108 3.058 -4.703 3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.579 -5.692 3.395 1.00 0.00 H new ATOM 0 HD21 LEU A 108 2.005 -6.985 6.123 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.499 -7.821 4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.925 -8.390 5.536 1.00 0.00 H new ATOM 490 N GLU A 109 5.429 -7.686 0.475 1.00 0.00 N ATOM 491 CA GLU A 109 5.973 -8.632 -0.543 1.00 0.00 C ATOM 492 C GLU A 109 6.015 -7.958 -1.917 1.00 0.00 C ATOM 493 O GLU A 109 5.669 -6.800 -2.062 1.00 0.00 O ATOM 494 CB GLU A 109 4.989 -9.806 -0.565 1.00 0.00 C ATOM 495 CG GLU A 109 5.325 -10.789 0.558 1.00 0.00 C ATOM 496 CD GLU A 109 4.509 -12.072 0.379 1.00 0.00 C ATOM 497 OE1 GLU A 109 4.337 -12.490 -0.755 1.00 0.00 O ATOM 498 OE2 GLU A 109 4.068 -12.613 1.379 1.00 0.00 O ATOM 0 H GLU A 109 4.829 -6.951 0.101 1.00 0.00 H new ATOM 0 HA GLU A 109 6.988 -8.951 -0.305 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.969 -9.439 -0.446 1.00 0.00 H new ATOM 0 HB3 GLU A 109 5.035 -10.312 -1.529 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.390 -11.019 0.547 1.00 0.00 H new ATOM 0 HG3 GLU A 109 5.106 -10.339 1.526 1.00 0.00 H new ATOM 505 N GLU A 110 6.421 -8.683 -2.926 1.00 0.00 N ATOM 506 CA GLU A 110 6.476 -8.103 -4.301 1.00 0.00 C ATOM 507 C GLU A 110 6.121 -9.181 -5.334 1.00 0.00 C ATOM 508 O GLU A 110 6.963 -9.955 -5.746 1.00 0.00 O ATOM 509 CB GLU A 110 7.927 -7.647 -4.473 1.00 0.00 C ATOM 510 CG GLU A 110 7.995 -6.529 -5.514 1.00 0.00 C ATOM 511 CD GLU A 110 9.355 -6.565 -6.213 1.00 0.00 C ATOM 512 OE1 GLU A 110 10.333 -6.204 -5.578 1.00 0.00 O ATOM 513 OE2 GLU A 110 9.397 -6.950 -7.369 1.00 0.00 O ATOM 0 H GLU A 110 6.718 -9.656 -2.857 1.00 0.00 H new ATOM 0 HA GLU A 110 5.772 -7.282 -4.441 1.00 0.00 H new ATOM 0 HB2 GLU A 110 8.323 -7.295 -3.521 1.00 0.00 H new ATOM 0 HB3 GLU A 110 8.548 -8.487 -4.786 1.00 0.00 H new ATOM 0 HG2 GLU A 110 7.195 -6.649 -6.245 1.00 0.00 H new ATOM 0 HG3 GLU A 110 7.846 -5.562 -5.034 1.00 0.00 H new ATOM 520 N SER A 111 4.875 -9.243 -5.740 1.00 0.00 N ATOM 521 CA SER A 111 4.458 -10.281 -6.732 1.00 0.00 C ATOM 522 C SER A 111 4.254 -9.663 -8.122 1.00 0.00 C ATOM 523 O SER A 111 4.822 -10.117 -9.097 1.00 0.00 O ATOM 524 CB SER A 111 3.139 -10.827 -6.192 1.00 0.00 C ATOM 525 OG SER A 111 2.864 -12.082 -6.802 1.00 0.00 O ATOM 0 H SER A 111 4.131 -8.620 -5.427 1.00 0.00 H new ATOM 0 HA SER A 111 5.213 -11.058 -6.849 1.00 0.00 H new ATOM 0 HB2 SER A 111 3.195 -10.941 -5.109 1.00 0.00 H new ATOM 0 HB3 SER A 111 2.331 -10.125 -6.397 1.00 0.00 H new ATOM 0 HG SER A 111 2.018 -12.436 -6.456 1.00 0.00 H new ATOM 531 N GLY A 112 3.441 -8.639 -8.222 1.00 0.00 N ATOM 532 CA GLY A 112 3.193 -8.000 -9.553 1.00 0.00 C ATOM 533 C GLY A 112 1.739 -7.527 -9.632 1.00 0.00 C ATOM 534 O GLY A 112 0.841 -8.188 -9.154 1.00 0.00 O ATOM 0 H GLY A 112 2.939 -8.218 -7.440 1.00 0.00 H new ATOM 0 HA2 GLY A 112 3.869 -7.156 -9.694 1.00 0.00 H new ATOM 0 HA3 GLY A 112 3.399 -8.711 -10.353 1.00 0.00 H new ATOM 538 N GLU A 113 1.506 -6.387 -10.244 1.00 0.00 N ATOM 539 CA GLU A 113 0.112 -5.835 -10.375 1.00 0.00 C ATOM 540 C GLU A 113 -0.459 -5.495 -8.990 1.00 0.00 C ATOM 541 O GLU A 113 -0.585 -4.338 -8.634 1.00 0.00 O ATOM 542 CB GLU A 113 -0.732 -6.923 -11.064 1.00 0.00 C ATOM 543 CG GLU A 113 -1.530 -6.304 -12.214 1.00 0.00 C ATOM 544 CD GLU A 113 -2.718 -7.206 -12.557 1.00 0.00 C ATOM 545 OE1 GLU A 113 -3.695 -7.165 -11.829 1.00 0.00 O ATOM 546 OE2 GLU A 113 -2.628 -7.921 -13.542 1.00 0.00 O ATOM 0 H GLU A 113 2.232 -5.806 -10.665 1.00 0.00 H new ATOM 0 HA GLU A 113 0.105 -4.915 -10.959 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -0.085 -7.714 -11.442 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -1.409 -7.382 -10.344 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -1.883 -5.312 -11.933 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -0.891 -6.179 -13.088 1.00 0.00 H new ATOM 553 N TRP A 114 -0.800 -6.488 -8.210 1.00 0.00 N ATOM 554 CA TRP A 114 -1.355 -6.227 -6.848 1.00 0.00 C ATOM 555 C TRP A 114 -0.308 -6.552 -5.779 1.00 0.00 C ATOM 556 O TRP A 114 0.128 -7.680 -5.652 1.00 0.00 O ATOM 557 CB TRP A 114 -2.559 -7.160 -6.720 1.00 0.00 C ATOM 558 CG TRP A 114 -3.784 -6.450 -7.200 1.00 0.00 C ATOM 559 CD1 TRP A 114 -4.417 -6.689 -8.370 1.00 0.00 C ATOM 560 CD2 TRP A 114 -4.525 -5.385 -6.541 1.00 0.00 C ATOM 561 NE1 TRP A 114 -5.503 -5.837 -8.470 1.00 0.00 N ATOM 562 CE2 TRP A 114 -5.611 -5.013 -7.367 1.00 0.00 C ATOM 563 CE3 TRP A 114 -4.359 -4.712 -5.317 1.00 0.00 C ATOM 564 CZ2 TRP A 114 -6.504 -4.008 -6.991 1.00 0.00 C ATOM 565 CZ3 TRP A 114 -5.254 -3.700 -4.936 1.00 0.00 C ATOM 566 CH2 TRP A 114 -6.325 -3.348 -5.772 1.00 0.00 C ATOM 0 H TRP A 114 -0.717 -7.474 -8.459 1.00 0.00 H new ATOM 0 HA TRP A 114 -1.635 -5.182 -6.712 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -2.396 -8.065 -7.305 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -2.686 -7.469 -5.682 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -4.124 -7.424 -9.105 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -6.145 -5.820 -9.262 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -3.538 -4.975 -4.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -7.327 -3.742 -7.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -5.118 -3.189 -3.994 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -7.010 -2.568 -5.474 1.00 0.00 H new ATOM 577 N TRP A 115 0.097 -5.568 -5.015 1.00 0.00 N ATOM 578 CA TRP A 115 1.120 -5.808 -3.951 1.00 0.00 C ATOM 579 C TRP A 115 0.463 -5.778 -2.570 1.00 0.00 C ATOM 580 O TRP A 115 -0.533 -5.111 -2.363 1.00 0.00 O ATOM 581 CB TRP A 115 2.118 -4.645 -4.079 1.00 0.00 C ATOM 582 CG TRP A 115 2.965 -4.774 -5.319 1.00 0.00 C ATOM 583 CD1 TRP A 115 2.894 -5.769 -6.245 1.00 0.00 C ATOM 584 CD2 TRP A 115 4.020 -3.877 -5.775 1.00 0.00 C ATOM 585 NE1 TRP A 115 3.838 -5.534 -7.229 1.00 0.00 N ATOM 586 CE2 TRP A 115 4.557 -4.381 -6.985 1.00 0.00 C ATOM 587 CE3 TRP A 115 4.557 -2.683 -5.259 1.00 0.00 C ATOM 588 CZ2 TRP A 115 5.591 -3.725 -7.658 1.00 0.00 C ATOM 589 CZ3 TRP A 115 5.597 -2.021 -5.933 1.00 0.00 C ATOM 590 CH2 TRP A 115 6.113 -2.540 -7.128 1.00 0.00 C ATOM 0 H TRP A 115 -0.238 -4.607 -5.083 1.00 0.00 H new ATOM 0 HA TRP A 115 1.602 -6.779 -4.063 1.00 0.00 H new ATOM 0 HB2 TRP A 115 1.575 -3.700 -4.105 1.00 0.00 H new ATOM 0 HB3 TRP A 115 2.761 -4.618 -3.199 1.00 0.00 H new ATOM 0 HD1 TRP A 115 2.212 -6.606 -6.216 1.00 0.00 H new ATOM 0 HE1 TRP A 115 3.985 -6.139 -8.037 1.00 0.00 H new ATOM 0 HE3 TRP A 115 4.167 -2.273 -4.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 5.984 -4.129 -8.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 6.002 -1.106 -5.527 1.00 0.00 H new ATOM 0 HH2 TRP A 115 6.913 -2.026 -7.640 1.00 0.00 H new ATOM 601 N LYS A 116 1.026 -6.479 -1.621 1.00 0.00 N ATOM 602 CA LYS A 116 0.450 -6.486 -0.240 1.00 0.00 C ATOM 603 C LYS A 116 1.213 -5.484 0.628 1.00 0.00 C ATOM 604 O LYS A 116 2.396 -5.640 0.836 1.00 0.00 O ATOM 605 CB LYS A 116 0.673 -7.911 0.273 1.00 0.00 C ATOM 606 CG LYS A 116 -0.607 -8.424 0.935 1.00 0.00 C ATOM 607 CD LYS A 116 -0.292 -9.692 1.729 1.00 0.00 C ATOM 608 CE LYS A 116 -1.338 -9.878 2.832 1.00 0.00 C ATOM 609 NZ LYS A 116 -0.738 -9.248 4.042 1.00 0.00 N ATOM 0 H LYS A 116 1.863 -7.050 -1.742 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.604 -6.208 -0.219 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.955 -8.565 -0.552 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.496 -7.926 0.988 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -1.020 -7.661 1.595 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.363 -8.633 0.178 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -0.289 -10.557 1.066 1.00 0.00 H new ATOM 0 HD3 LYS A 116 0.704 -9.622 2.166 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -2.282 -9.402 2.566 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -1.550 -10.934 3.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -1.397 -9.335 4.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 0.155 -9.726 4.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -0.553 -8.242 3.854 1.00 0.00 H new ATOM 623 N ALA A 117 0.561 -4.457 1.125 1.00 0.00 N ATOM 624 CA ALA A 117 1.296 -3.447 1.956 1.00 0.00 C ATOM 625 C ALA A 117 0.587 -3.148 3.288 1.00 0.00 C ATOM 626 O ALA A 117 -0.585 -3.421 3.467 1.00 0.00 O ATOM 627 CB ALA A 117 1.338 -2.190 1.088 1.00 0.00 C ATOM 0 H ALA A 117 -0.434 -4.276 0.994 1.00 0.00 H new ATOM 0 HA ALA A 117 2.285 -3.815 2.230 1.00 0.00 H new ATOM 0 HB1 ALA A 117 1.861 -1.396 1.622 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.862 -2.408 0.157 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.321 -1.868 0.865 1.00 0.00 H new ATOM 633 N ARG A 118 1.311 -2.567 4.219 1.00 0.00 N ATOM 634 CA ARG A 118 0.726 -2.225 5.537 1.00 0.00 C ATOM 635 C ARG A 118 0.703 -0.705 5.718 1.00 0.00 C ATOM 636 O ARG A 118 1.719 -0.046 5.633 1.00 0.00 O ATOM 637 CB ARG A 118 1.659 -2.893 6.561 1.00 0.00 C ATOM 638 CG ARG A 118 1.271 -2.498 7.998 1.00 0.00 C ATOM 639 CD ARG A 118 2.532 -2.208 8.819 1.00 0.00 C ATOM 640 NE ARG A 118 2.081 -2.174 10.247 1.00 0.00 N ATOM 641 CZ ARG A 118 2.950 -2.150 11.239 1.00 0.00 C ATOM 642 NH1 ARG A 118 4.244 -2.125 11.019 1.00 0.00 N ATOM 643 NH2 ARG A 118 2.516 -2.147 12.469 1.00 0.00 N ATOM 0 H ARG A 118 2.294 -2.316 4.110 1.00 0.00 H new ATOM 0 HA ARG A 118 -0.303 -2.567 5.647 1.00 0.00 H new ATOM 0 HB2 ARG A 118 1.609 -3.976 6.451 1.00 0.00 H new ATOM 0 HB3 ARG A 118 2.690 -2.600 6.365 1.00 0.00 H new ATOM 0 HG2 ARG A 118 0.627 -1.618 7.981 1.00 0.00 H new ATOM 0 HG3 ARG A 118 0.700 -3.302 8.464 1.00 0.00 H new ATOM 0 HD2 ARG A 118 3.287 -2.979 8.664 1.00 0.00 H new ATOM 0 HD3 ARG A 118 2.981 -1.259 8.527 1.00 0.00 H new ATOM 0 HE ARG A 118 1.083 -2.169 10.456 1.00 0.00 H new ATOM 0 HH11 ARG A 118 4.599 -2.124 10.063 1.00 0.00 H new ATOM 0 HH12 ARG A 118 4.895 -2.107 11.804 1.00 0.00 H new ATOM 0 HH21 ARG A 118 1.513 -2.163 12.656 1.00 0.00 H new ATOM 0 HH22 ARG A 118 3.179 -2.129 13.244 1.00 0.00 H new ATOM 657 N SER A 119 -0.451 -0.150 5.988 1.00 0.00 N ATOM 658 CA SER A 119 -0.543 1.321 6.194 1.00 0.00 C ATOM 659 C SER A 119 -0.050 1.675 7.594 1.00 0.00 C ATOM 660 O SER A 119 -0.622 1.258 8.592 1.00 0.00 O ATOM 661 CB SER A 119 -2.023 1.669 6.034 1.00 0.00 C ATOM 662 OG SER A 119 -2.145 3.041 5.680 1.00 0.00 O ATOM 0 H SER A 119 -1.333 -0.655 6.074 1.00 0.00 H new ATOM 0 HA SER A 119 0.070 1.877 5.485 1.00 0.00 H new ATOM 0 HB2 SER A 119 -2.476 1.041 5.266 1.00 0.00 H new ATOM 0 HB3 SER A 119 -2.558 1.472 6.963 1.00 0.00 H new ATOM 0 HG SER A 119 -3.092 3.269 5.575 1.00 0.00 H new ATOM 668 N LEU A 120 1.011 2.438 7.665 1.00 0.00 N ATOM 669 CA LEU A 120 1.573 2.833 8.993 1.00 0.00 C ATOM 670 C LEU A 120 0.602 3.760 9.726 1.00 0.00 C ATOM 671 O LEU A 120 0.597 3.828 10.941 1.00 0.00 O ATOM 672 CB LEU A 120 2.878 3.571 8.681 1.00 0.00 C ATOM 673 CG LEU A 120 3.947 2.566 8.249 1.00 0.00 C ATOM 674 CD1 LEU A 120 4.951 3.256 7.322 1.00 0.00 C ATOM 675 CD2 LEU A 120 4.676 2.034 9.485 1.00 0.00 C ATOM 0 H LEU A 120 1.514 2.806 6.858 1.00 0.00 H new ATOM 0 HA LEU A 120 1.739 1.969 9.636 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.713 4.303 7.891 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.215 4.121 9.560 1.00 0.00 H new ATOM 0 HG LEU A 120 3.475 1.738 7.721 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.713 2.540 7.014 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.432 3.635 6.442 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.424 4.084 7.850 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.438 1.318 9.178 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.148 2.862 10.013 1.00 0.00 H new ATOM 0 HD23 LEU A 120 3.961 1.543 10.145 1.00 0.00 H new ATOM 687 N ALA A 121 -0.218 4.475 8.995 1.00 0.00 N ATOM 688 CA ALA A 121 -1.195 5.398 9.649 1.00 0.00 C ATOM 689 C ALA A 121 -2.155 4.606 10.542 1.00 0.00 C ATOM 690 O ALA A 121 -2.716 5.135 11.482 1.00 0.00 O ATOM 691 CB ALA A 121 -1.955 6.065 8.499 1.00 0.00 C ATOM 0 H ALA A 121 -0.252 4.459 7.976 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.702 6.133 10.285 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -2.692 6.759 8.904 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -1.254 6.609 7.867 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.461 5.303 7.907 1.00 0.00 H new ATOM 697 N THR A 122 -2.341 3.340 10.255 1.00 0.00 N ATOM 698 CA THR A 122 -3.259 2.506 11.088 1.00 0.00 C ATOM 699 C THR A 122 -2.634 1.130 11.375 1.00 0.00 C ATOM 700 O THR A 122 -3.296 0.242 11.878 1.00 0.00 O ATOM 701 CB THR A 122 -4.528 2.346 10.242 1.00 0.00 C ATOM 702 OG1 THR A 122 -4.171 2.056 8.895 1.00 0.00 O ATOM 703 CG2 THR A 122 -5.350 3.635 10.288 1.00 0.00 C ATOM 0 H THR A 122 -1.896 2.850 9.479 1.00 0.00 H new ATOM 0 HA THR A 122 -3.461 2.968 12.054 1.00 0.00 H new ATOM 0 HB THR A 122 -5.124 1.527 10.644 1.00 0.00 H new ATOM 0 HG1 THR A 122 -4.983 1.952 8.356 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.250 3.514 9.685 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.630 3.851 11.319 1.00 0.00 H new ATOM 0 HG23 THR A 122 -4.756 4.459 9.893 1.00 0.00 H new ATOM 711 N ARG A 123 -1.365 0.936 11.056 1.00 0.00 N ATOM 712 CA ARG A 123 -0.706 -0.394 11.302 1.00 0.00 C ATOM 713 C ARG A 123 -1.545 -1.526 10.699 1.00 0.00 C ATOM 714 O ARG A 123 -1.502 -2.651 11.157 1.00 0.00 O ATOM 715 CB ARG A 123 -0.639 -0.544 12.824 1.00 0.00 C ATOM 716 CG ARG A 123 0.345 0.480 13.411 1.00 0.00 C ATOM 717 CD ARG A 123 -0.417 1.495 14.273 1.00 0.00 C ATOM 718 NE ARG A 123 0.479 1.795 15.450 1.00 0.00 N ATOM 719 CZ ARG A 123 0.877 0.871 16.298 1.00 0.00 C ATOM 720 NH1 ARG A 123 0.420 -0.355 16.234 1.00 0.00 N ATOM 721 NH2 ARG A 123 1.719 1.189 17.244 1.00 0.00 N ATOM 0 H ARG A 123 -0.761 1.643 10.637 1.00 0.00 H new ATOM 0 HA ARG A 123 0.282 -0.444 10.843 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -1.629 -0.398 13.256 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -0.324 -1.554 13.084 1.00 0.00 H new ATOM 0 HG2 ARG A 123 1.099 -0.029 14.012 1.00 0.00 H new ATOM 0 HG3 ARG A 123 0.872 0.994 12.607 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -0.636 2.401 13.708 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -1.372 1.087 14.604 1.00 0.00 H new ATOM 0 HE ARG A 123 0.789 2.756 15.594 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -0.258 -0.610 15.516 1.00 0.00 H new ATOM 0 HH12 ARG A 123 0.743 -1.055 16.902 1.00 0.00 H new ATOM 0 HH21 ARG A 123 2.062 2.146 17.321 1.00 0.00 H new ATOM 0 HH22 ARG A 123 2.034 0.480 17.906 1.00 0.00 H new ATOM 735 N LYS A 124 -2.293 -1.234 9.664 1.00 0.00 N ATOM 736 CA LYS A 124 -3.124 -2.295 9.020 1.00 0.00 C ATOM 737 C LYS A 124 -2.431 -2.764 7.750 1.00 0.00 C ATOM 738 O LYS A 124 -1.382 -2.272 7.412 1.00 0.00 O ATOM 739 CB LYS A 124 -4.457 -1.631 8.691 1.00 0.00 C ATOM 740 CG LYS A 124 -5.217 -1.343 9.986 1.00 0.00 C ATOM 741 CD LYS A 124 -6.717 -1.260 9.694 1.00 0.00 C ATOM 742 CE LYS A 124 -7.468 -0.921 10.985 1.00 0.00 C ATOM 743 NZ LYS A 124 -8.826 -1.522 10.822 1.00 0.00 N ATOM 0 H LYS A 124 -2.363 -0.309 9.239 1.00 0.00 H new ATOM 0 HA LYS A 124 -3.267 -3.164 9.663 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -4.288 -0.704 8.142 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -5.049 -2.280 8.046 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -5.021 -2.128 10.716 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -4.869 -0.407 10.423 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -6.910 -0.499 8.937 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -7.073 -2.208 9.291 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -6.958 -1.332 11.856 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -7.530 0.157 11.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -9.395 -1.328 11.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -9.292 -1.107 9.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -8.737 -2.550 10.692 1.00 0.00 H new ATOM 757 N GLU A 125 -3.003 -3.701 7.042 1.00 0.00 N ATOM 758 CA GLU A 125 -2.347 -4.189 5.785 1.00 0.00 C ATOM 759 C GLU A 125 -3.362 -4.780 4.821 1.00 0.00 C ATOM 760 O GLU A 125 -4.390 -5.298 5.215 1.00 0.00 O ATOM 761 CB GLU A 125 -1.293 -5.243 6.191 1.00 0.00 C ATOM 762 CG GLU A 125 -1.753 -6.079 7.395 1.00 0.00 C ATOM 763 CD GLU A 125 -3.051 -6.813 7.053 1.00 0.00 C ATOM 764 OE1 GLU A 125 -3.031 -7.609 6.129 1.00 0.00 O ATOM 765 OE2 GLU A 125 -4.042 -6.567 7.721 1.00 0.00 O ATOM 0 H GLU A 125 -3.889 -4.149 7.274 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.874 -3.356 5.264 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -1.095 -5.902 5.346 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -0.355 -4.744 6.433 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -0.980 -6.797 7.667 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -1.907 -5.433 8.260 1.00 0.00 H new ATOM 772 N GLY A 126 -3.067 -4.702 3.548 1.00 0.00 N ATOM 773 CA GLY A 126 -3.999 -5.252 2.535 1.00 0.00 C ATOM 774 C GLY A 126 -3.378 -5.204 1.142 1.00 0.00 C ATOM 775 O GLY A 126 -2.175 -5.148 0.972 1.00 0.00 O ATOM 0 H GLY A 126 -2.218 -4.279 3.172 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -4.253 -6.281 2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -4.929 -4.683 2.543 1.00 0.00 H new ATOM 779 N TYR A 127 -4.220 -5.222 0.151 1.00 0.00 N ATOM 780 CA TYR A 127 -3.768 -5.192 -1.266 1.00 0.00 C ATOM 781 C TYR A 127 -3.756 -3.749 -1.773 1.00 0.00 C ATOM 782 O TYR A 127 -4.523 -2.924 -1.314 1.00 0.00 O ATOM 783 CB TYR A 127 -4.839 -5.999 -2.011 1.00 0.00 C ATOM 784 CG TYR A 127 -4.934 -7.399 -1.446 1.00 0.00 C ATOM 785 CD1 TYR A 127 -3.988 -8.371 -1.798 1.00 0.00 C ATOM 786 CD2 TYR A 127 -5.974 -7.722 -0.569 1.00 0.00 C ATOM 787 CE1 TYR A 127 -4.085 -9.664 -1.270 1.00 0.00 C ATOM 788 CE2 TYR A 127 -6.071 -9.014 -0.041 1.00 0.00 C ATOM 789 CZ TYR A 127 -5.126 -9.985 -0.391 1.00 0.00 C ATOM 790 OH TYR A 127 -5.220 -11.260 0.133 1.00 0.00 O ATOM 0 H TYR A 127 -5.233 -5.257 0.267 1.00 0.00 H new ATOM 0 HA TYR A 127 -2.764 -5.593 -1.403 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -5.804 -5.500 -1.926 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -4.596 -6.044 -3.073 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -3.185 -8.123 -2.476 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -6.704 -6.973 -0.299 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -3.357 -10.414 -1.541 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -6.875 -9.262 0.636 1.00 0.00 H new ATOM 0 HH TYR A 127 -5.999 -11.314 0.726 1.00 0.00 H new ATOM 800 N ILE A 128 -2.899 -3.440 -2.715 1.00 0.00 N ATOM 801 CA ILE A 128 -2.840 -2.045 -3.253 1.00 0.00 C ATOM 802 C ILE A 128 -2.294 -2.043 -4.695 1.00 0.00 C ATOM 803 O ILE A 128 -1.265 -2.633 -4.956 1.00 0.00 O ATOM 804 CB ILE A 128 -1.882 -1.269 -2.335 1.00 0.00 C ATOM 805 CG1 ILE A 128 -0.535 -2.013 -2.219 1.00 0.00 C ATOM 806 CG2 ILE A 128 -2.514 -1.111 -0.950 1.00 0.00 C ATOM 807 CD1 ILE A 128 0.605 -1.103 -2.692 1.00 0.00 C ATOM 0 H ILE A 128 -2.238 -4.093 -3.135 1.00 0.00 H new ATOM 0 HA ILE A 128 -3.832 -1.594 -3.276 1.00 0.00 H new ATOM 0 HB ILE A 128 -1.700 -0.283 -2.762 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -0.365 -2.317 -1.186 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -0.559 -2.923 -2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -1.834 -0.561 -0.300 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -3.453 -0.564 -1.039 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -2.706 -2.095 -0.523 1.00 0.00 H new ATOM 0 HD11 ILE A 128 1.553 -1.634 -2.608 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.438 -0.821 -3.732 1.00 0.00 H new ATOM 0 HD13 ILE A 128 0.635 -0.206 -2.073 1.00 0.00 H new ATOM 819 N PRO A 129 -2.989 -1.374 -5.597 1.00 0.00 N ATOM 820 CA PRO A 129 -2.519 -1.311 -7.005 1.00 0.00 C ATOM 821 C PRO A 129 -1.177 -0.579 -7.059 1.00 0.00 C ATOM 822 O PRO A 129 -1.115 0.620 -6.875 1.00 0.00 O ATOM 823 CB PRO A 129 -3.602 -0.507 -7.736 1.00 0.00 C ATOM 824 CG PRO A 129 -4.776 -0.472 -6.809 1.00 0.00 C ATOM 825 CD PRO A 129 -4.241 -0.628 -5.412 1.00 0.00 C ATOM 0 HA PRO A 129 -2.371 -2.294 -7.451 1.00 0.00 H new ATOM 0 HB2 PRO A 129 -3.254 0.500 -7.965 1.00 0.00 H new ATOM 0 HB3 PRO A 129 -3.865 -0.977 -8.684 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -5.319 0.467 -6.911 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -5.477 -1.273 -7.045 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -4.065 0.339 -4.941 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -4.939 -1.170 -4.775 1.00 0.00 H new ATOM 833 N SER A 130 -0.100 -1.291 -7.293 1.00 0.00 N ATOM 834 CA SER A 130 1.249 -0.634 -7.337 1.00 0.00 C ATOM 835 C SER A 130 1.265 0.512 -8.355 1.00 0.00 C ATOM 836 O SER A 130 2.040 1.443 -8.237 1.00 0.00 O ATOM 837 CB SER A 130 2.231 -1.724 -7.761 1.00 0.00 C ATOM 838 OG SER A 130 1.850 -2.967 -7.185 1.00 0.00 O ATOM 0 H SER A 130 -0.095 -2.298 -7.455 1.00 0.00 H new ATOM 0 HA SER A 130 1.509 -0.206 -6.369 1.00 0.00 H new ATOM 0 HB2 SER A 130 2.249 -1.807 -8.848 1.00 0.00 H new ATOM 0 HB3 SER A 130 3.240 -1.460 -7.444 1.00 0.00 H new ATOM 0 HG SER A 130 2.651 -3.497 -6.992 1.00 0.00 H new ATOM 844 N ASN A 131 0.419 0.449 -9.352 1.00 0.00 N ATOM 845 CA ASN A 131 0.384 1.540 -10.378 1.00 0.00 C ATOM 846 C ASN A 131 -0.217 2.823 -9.777 1.00 0.00 C ATOM 847 O ASN A 131 -0.121 3.888 -10.355 1.00 0.00 O ATOM 848 CB ASN A 131 -0.497 1.006 -11.515 1.00 0.00 C ATOM 849 CG ASN A 131 -1.890 0.654 -10.982 1.00 0.00 C ATOM 850 OD1 ASN A 131 -2.024 -0.137 -10.069 1.00 0.00 O ATOM 851 ND2 ASN A 131 -2.941 1.209 -11.523 1.00 0.00 N ATOM 0 H ASN A 131 -0.248 -0.308 -9.501 1.00 0.00 H new ATOM 0 HA ASN A 131 1.382 1.797 -10.733 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -0.579 1.754 -12.304 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -0.036 0.124 -11.959 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -3.873 0.979 -11.179 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -2.830 1.873 -12.289 1.00 0.00 H new ATOM 858 N TYR A 132 -0.820 2.728 -8.616 1.00 0.00 N ATOM 859 CA TYR A 132 -1.420 3.926 -7.959 1.00 0.00 C ATOM 860 C TYR A 132 -0.490 4.465 -6.861 1.00 0.00 C ATOM 861 O TYR A 132 -0.885 5.308 -6.075 1.00 0.00 O ATOM 862 CB TYR A 132 -2.694 3.388 -7.302 1.00 0.00 C ATOM 863 CG TYR A 132 -3.873 3.440 -8.253 1.00 0.00 C ATOM 864 CD1 TYR A 132 -3.706 3.204 -9.628 1.00 0.00 C ATOM 865 CD2 TYR A 132 -5.147 3.718 -7.744 1.00 0.00 C ATOM 866 CE1 TYR A 132 -4.812 3.250 -10.485 1.00 0.00 C ATOM 867 CE2 TYR A 132 -6.251 3.764 -8.601 1.00 0.00 C ATOM 868 CZ TYR A 132 -6.085 3.530 -9.972 1.00 0.00 C ATOM 869 OH TYR A 132 -7.175 3.575 -10.818 1.00 0.00 O ATOM 0 H TYR A 132 -0.922 1.859 -8.092 1.00 0.00 H new ATOM 0 HA TYR A 132 -1.596 4.735 -8.668 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -2.531 2.360 -6.978 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -2.919 3.972 -6.409 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -2.725 2.987 -10.024 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -5.278 3.897 -6.687 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -4.684 3.070 -11.542 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -7.232 3.980 -8.205 1.00 0.00 H new ATOM 0 HH TYR A 132 -7.982 3.780 -10.301 1.00 0.00 H new ATOM 879 N VAL A 133 0.722 3.966 -6.768 1.00 0.00 N ATOM 880 CA VAL A 133 1.635 4.434 -5.684 1.00 0.00 C ATOM 881 C VAL A 133 3.062 4.636 -6.188 1.00 0.00 C ATOM 882 O VAL A 133 3.369 4.438 -7.348 1.00 0.00 O ATOM 883 CB VAL A 133 1.624 3.304 -4.641 1.00 0.00 C ATOM 884 CG1 VAL A 133 0.215 3.111 -4.082 1.00 0.00 C ATOM 885 CG2 VAL A 133 2.082 1.994 -5.290 1.00 0.00 C ATOM 0 H VAL A 133 1.112 3.260 -7.393 1.00 0.00 H new ATOM 0 HA VAL A 133 1.304 5.394 -5.288 1.00 0.00 H new ATOM 0 HB VAL A 133 2.302 3.575 -3.831 1.00 0.00 H new ATOM 0 HG11 VAL A 133 0.223 2.308 -3.345 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -0.118 4.035 -3.609 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -0.466 2.853 -4.893 1.00 0.00 H new ATOM 0 HG21 VAL A 133 2.072 1.197 -4.547 1.00 0.00 H new ATOM 0 HG22 VAL A 133 1.407 1.737 -6.106 1.00 0.00 H new ATOM 0 HG23 VAL A 133 3.093 2.115 -5.679 1.00 0.00 H new ATOM 895 N ALA A 134 3.935 4.991 -5.289 1.00 0.00 N ATOM 896 CA ALA A 134 5.369 5.177 -5.640 1.00 0.00 C ATOM 897 C ALA A 134 6.206 4.432 -4.598 1.00 0.00 C ATOM 898 O ALA A 134 6.180 4.762 -3.427 1.00 0.00 O ATOM 899 CB ALA A 134 5.616 6.687 -5.570 1.00 0.00 C ATOM 0 H ALA A 134 3.711 5.163 -4.309 1.00 0.00 H new ATOM 0 HA ALA A 134 5.631 4.794 -6.626 1.00 0.00 H new ATOM 0 HB1 ALA A 134 6.656 6.897 -5.818 1.00 0.00 H new ATOM 0 HB2 ALA A 134 4.964 7.196 -6.280 1.00 0.00 H new ATOM 0 HB3 ALA A 134 5.404 7.044 -4.562 1.00 0.00 H new ATOM 905 N ARG A 135 6.915 3.405 -5.001 1.00 0.00 N ATOM 906 CA ARG A 135 7.714 2.622 -4.023 1.00 0.00 C ATOM 907 C ARG A 135 9.061 3.300 -3.743 1.00 0.00 C ATOM 908 O ARG A 135 9.865 3.502 -4.632 1.00 0.00 O ATOM 909 CB ARG A 135 7.927 1.255 -4.688 1.00 0.00 C ATOM 910 CG ARG A 135 8.870 0.384 -3.840 1.00 0.00 C ATOM 911 CD ARG A 135 8.165 -0.895 -3.366 1.00 0.00 C ATOM 912 NE ARG A 135 9.051 -2.035 -3.813 1.00 0.00 N ATOM 913 CZ ARG A 135 9.359 -2.248 -5.075 1.00 0.00 C ATOM 914 NH1 ARG A 135 8.779 -1.580 -6.038 1.00 0.00 N ATOM 915 NH2 ARG A 135 10.228 -3.175 -5.373 1.00 0.00 N ATOM 0 H ARG A 135 6.971 3.080 -5.966 1.00 0.00 H new ATOM 0 HA ARG A 135 7.207 2.539 -3.062 1.00 0.00 H new ATOM 0 HB2 ARG A 135 6.969 0.750 -4.811 1.00 0.00 H new ATOM 0 HB3 ARG A 135 8.346 1.390 -5.685 1.00 0.00 H new ATOM 0 HG2 ARG A 135 9.752 0.121 -4.425 1.00 0.00 H new ATOM 0 HG3 ARG A 135 9.217 0.952 -2.977 1.00 0.00 H new ATOM 0 HD2 ARG A 135 8.041 -0.896 -2.283 1.00 0.00 H new ATOM 0 HD3 ARG A 135 7.169 -0.978 -3.801 1.00 0.00 H new ATOM 0 HE ARG A 135 9.427 -2.667 -3.106 1.00 0.00 H new ATOM 0 HH11 ARG A 135 8.073 -0.878 -5.818 1.00 0.00 H new ATOM 0 HH12 ARG A 135 9.033 -1.761 -7.009 1.00 0.00 H new ATOM 0 HH21 ARG A 135 10.661 -3.726 -4.631 1.00 0.00 H new ATOM 0 HH22 ARG A 135 10.474 -3.349 -6.347 1.00 0.00 H new