USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 470 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 78 SER OG : rot -35:sc= 0.647 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 30:sc= -0.213 USER MOD Single : A 93 HIS : no HD1:sc= -0.0516 X(o=-0.052,f=-0.23) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot -159:sc= 0.356 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 140:sc= 0.045 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.284 X(o=-0.28,f=-0.069) USER MOD Single : A 105 MET CE :methyl -151:sc= -1.23 (180deg=-3.39!) USER MOD Single : A 111 SER OG : rot 180:sc= 0.138 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= -0.166 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 -104:sc= 0.236 USER MOD Single : A 131 ASN : amide:sc= -2.17 K(o=-2.2,f=-3.8!) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 SER OG : rot -35:sc= 0.406 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 78 12.759 5.402 1.235 1.00 0.00 N ATOM 2 CA SER A 78 14.140 5.969 1.216 1.00 0.00 C ATOM 3 C SER A 78 15.162 4.863 0.949 1.00 0.00 C ATOM 4 O SER A 78 16.090 5.036 0.180 1.00 0.00 O ATOM 5 CB SER A 78 14.342 6.566 2.606 1.00 0.00 C ATOM 6 OG SER A 78 13.820 5.672 3.581 1.00 0.00 O ATOM 0 HA SER A 78 14.270 6.715 0.432 1.00 0.00 H new ATOM 0 HB2 SER A 78 15.402 6.743 2.788 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.841 7.532 2.676 1.00 0.00 H new ATOM 0 HG SER A 78 13.022 5.229 3.225 1.00 0.00 H new ATOM 12 N GLU A 79 14.996 3.728 1.574 1.00 0.00 N ATOM 13 CA GLU A 79 15.950 2.600 1.357 1.00 0.00 C ATOM 14 C GLU A 79 15.340 1.294 1.867 1.00 0.00 C ATOM 15 O GLU A 79 15.967 0.547 2.593 1.00 0.00 O ATOM 16 CB GLU A 79 17.212 2.968 2.148 1.00 0.00 C ATOM 17 CG GLU A 79 16.865 3.207 3.619 1.00 0.00 C ATOM 18 CD GLU A 79 18.142 3.540 4.391 1.00 0.00 C ATOM 19 OE1 GLU A 79 18.849 2.614 4.755 1.00 0.00 O ATOM 20 OE2 GLU A 79 18.392 4.714 4.605 1.00 0.00 O ATOM 0 H GLU A 79 14.238 3.532 2.228 1.00 0.00 H new ATOM 0 HA GLU A 79 16.178 2.450 0.302 1.00 0.00 H new ATOM 0 HB2 GLU A 79 17.947 2.168 2.066 1.00 0.00 H new ATOM 0 HB3 GLU A 79 17.667 3.863 1.724 1.00 0.00 H new ATOM 0 HG2 GLU A 79 16.149 4.024 3.708 1.00 0.00 H new ATOM 0 HG3 GLU A 79 16.391 2.321 4.042 1.00 0.00 H new ATOM 27 N ASP A 80 14.121 1.014 1.478 1.00 0.00 N ATOM 28 CA ASP A 80 13.450 -0.251 1.925 1.00 0.00 C ATOM 29 C ASP A 80 12.240 -0.532 1.032 1.00 0.00 C ATOM 30 O ASP A 80 12.039 0.138 0.043 1.00 0.00 O ATOM 31 CB ASP A 80 12.998 0.015 3.365 1.00 0.00 C ATOM 32 CG ASP A 80 14.102 -0.395 4.341 1.00 0.00 C ATOM 33 OD1 ASP A 80 14.815 -1.339 4.039 1.00 0.00 O ATOM 34 OD2 ASP A 80 14.214 0.238 5.378 1.00 0.00 O ATOM 0 H ASP A 80 13.558 1.607 0.868 1.00 0.00 H new ATOM 0 HA ASP A 80 14.112 -1.115 1.865 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.762 1.072 3.492 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.086 -0.543 3.578 1.00 0.00 H new ATOM 39 N ILE A 81 11.418 -1.495 1.367 1.00 0.00 N ATOM 40 CA ILE A 81 10.227 -1.755 0.501 1.00 0.00 C ATOM 41 C ILE A 81 9.016 -0.994 1.054 1.00 0.00 C ATOM 42 O ILE A 81 8.168 -1.533 1.715 1.00 0.00 O ATOM 43 CB ILE A 81 10.017 -3.291 0.434 1.00 0.00 C ATOM 44 CG1 ILE A 81 9.480 -3.865 1.790 1.00 0.00 C ATOM 45 CG2 ILE A 81 11.344 -3.945 0.001 1.00 0.00 C ATOM 46 CD1 ILE A 81 10.331 -5.028 2.334 1.00 0.00 C ATOM 0 H ILE A 81 11.515 -2.100 2.183 1.00 0.00 H new ATOM 0 HA ILE A 81 10.373 -1.392 -0.516 1.00 0.00 H new ATOM 0 HB ILE A 81 9.249 -3.525 -0.303 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.453 -3.066 2.530 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.454 -4.207 1.652 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.217 -5.026 -0.052 1.00 0.00 H new ATOM 0 HG22 ILE A 81 11.634 -3.565 -0.979 1.00 0.00 H new ATOM 0 HG23 ILE A 81 12.121 -3.706 0.727 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.907 -5.381 3.274 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.338 -5.843 1.611 1.00 0.00 H new ATOM 0 HD13 ILE A 81 11.352 -4.684 2.503 1.00 0.00 H new ATOM 58 N ILE A 82 8.942 0.287 0.771 1.00 0.00 N ATOM 59 CA ILE A 82 7.781 1.103 1.259 1.00 0.00 C ATOM 60 C ILE A 82 7.198 1.853 0.070 1.00 0.00 C ATOM 61 O ILE A 82 7.906 2.167 -0.854 1.00 0.00 O ATOM 62 CB ILE A 82 8.353 2.089 2.291 1.00 0.00 C ATOM 63 CG1 ILE A 82 8.909 1.321 3.491 1.00 0.00 C ATOM 64 CG2 ILE A 82 7.251 3.042 2.783 1.00 0.00 C ATOM 65 CD1 ILE A 82 9.861 2.227 4.275 1.00 0.00 C ATOM 0 H ILE A 82 9.633 0.802 0.225 1.00 0.00 H new ATOM 0 HA ILE A 82 6.995 0.495 1.707 1.00 0.00 H new ATOM 0 HB ILE A 82 9.148 2.663 1.816 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.094 0.988 4.134 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.434 0.427 3.154 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.669 3.735 3.513 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.851 3.603 1.938 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.451 2.465 3.247 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.259 1.682 5.131 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.682 2.538 3.629 1.00 0.00 H new ATOM 0 HD13 ILE A 82 9.321 3.107 4.624 1.00 0.00 H new ATOM 77 N VAL A 83 5.928 2.144 0.080 1.00 0.00 N ATOM 78 CA VAL A 83 5.327 2.883 -1.067 1.00 0.00 C ATOM 79 C VAL A 83 4.536 4.091 -0.557 1.00 0.00 C ATOM 80 O VAL A 83 4.355 4.272 0.633 1.00 0.00 O ATOM 81 CB VAL A 83 4.380 1.887 -1.753 1.00 0.00 C ATOM 82 CG1 VAL A 83 5.174 0.703 -2.310 1.00 0.00 C ATOM 83 CG2 VAL A 83 3.336 1.380 -0.746 1.00 0.00 C ATOM 0 H VAL A 83 5.280 1.903 0.830 1.00 0.00 H new ATOM 0 HA VAL A 83 6.089 3.254 -1.752 1.00 0.00 H new ATOM 0 HB VAL A 83 3.873 2.393 -2.574 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.493 0.003 -2.794 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.902 1.063 -3.037 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.694 0.198 -1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.668 0.674 -1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.841 0.883 0.083 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.758 2.222 -0.366 1.00 0.00 H new ATOM 93 N VAL A 84 4.033 4.892 -1.457 1.00 0.00 N ATOM 94 CA VAL A 84 3.213 6.063 -1.048 1.00 0.00 C ATOM 95 C VAL A 84 1.948 6.087 -1.904 1.00 0.00 C ATOM 96 O VAL A 84 2.008 6.191 -3.119 1.00 0.00 O ATOM 97 CB VAL A 84 4.086 7.322 -1.256 1.00 0.00 C ATOM 98 CG1 VAL A 84 4.240 7.665 -2.742 1.00 0.00 C ATOM 99 CG2 VAL A 84 3.422 8.507 -0.554 1.00 0.00 C ATOM 0 H VAL A 84 4.157 4.783 -2.464 1.00 0.00 H new ATOM 0 HA VAL A 84 2.903 6.017 -0.004 1.00 0.00 H new ATOM 0 HB VAL A 84 5.074 7.119 -0.843 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.860 8.555 -2.848 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.712 6.831 -3.261 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.258 7.853 -3.176 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.030 9.401 -0.695 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.431 8.672 -0.977 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.331 8.294 0.511 1.00 0.00 H new ATOM 109 N ALA A 85 0.810 5.969 -1.287 1.00 0.00 N ATOM 110 CA ALA A 85 -0.458 5.978 -2.064 1.00 0.00 C ATOM 111 C ALA A 85 -0.616 7.334 -2.753 1.00 0.00 C ATOM 112 O ALA A 85 -0.725 8.360 -2.100 1.00 0.00 O ATOM 113 CB ALA A 85 -1.559 5.759 -1.035 1.00 0.00 C ATOM 0 H ALA A 85 0.702 5.867 -0.278 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.485 5.213 -2.840 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.528 5.753 -1.534 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.404 4.804 -0.534 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.535 6.563 -0.299 1.00 0.00 H new ATOM 119 N LEU A 86 -0.613 7.339 -4.068 1.00 0.00 N ATOM 120 CA LEU A 86 -0.735 8.620 -4.830 1.00 0.00 C ATOM 121 C LEU A 86 -2.187 8.914 -5.218 1.00 0.00 C ATOM 122 O LEU A 86 -2.461 9.906 -5.863 1.00 0.00 O ATOM 123 CB LEU A 86 0.107 8.407 -6.090 1.00 0.00 C ATOM 124 CG LEU A 86 1.581 8.240 -5.707 1.00 0.00 C ATOM 125 CD1 LEU A 86 2.401 7.938 -6.962 1.00 0.00 C ATOM 126 CD2 LEU A 86 2.098 9.529 -5.061 1.00 0.00 C ATOM 0 H LEU A 86 -0.531 6.503 -4.647 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.401 9.468 -4.232 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.241 7.524 -6.626 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.009 9.256 -6.764 1.00 0.00 H new ATOM 0 HG LEU A 86 1.678 7.418 -4.998 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.450 7.819 -6.691 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.038 7.018 -7.421 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.300 8.761 -7.669 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.147 9.405 -4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.000 10.354 -5.767 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.516 9.746 -4.166 1.00 0.00 H new ATOM 138 N TYR A 87 -3.118 8.077 -4.832 1.00 0.00 N ATOM 139 CA TYR A 87 -4.557 8.332 -5.165 1.00 0.00 C ATOM 140 C TYR A 87 -5.416 7.697 -4.071 1.00 0.00 C ATOM 141 O TYR A 87 -5.008 6.741 -3.439 1.00 0.00 O ATOM 142 CB TYR A 87 -4.832 7.675 -6.530 1.00 0.00 C ATOM 143 CG TYR A 87 -3.804 8.114 -7.549 1.00 0.00 C ATOM 144 CD1 TYR A 87 -3.965 9.320 -8.240 1.00 0.00 C ATOM 145 CD2 TYR A 87 -2.687 7.308 -7.800 1.00 0.00 C ATOM 146 CE1 TYR A 87 -3.009 9.720 -9.181 1.00 0.00 C ATOM 147 CE2 TYR A 87 -1.732 7.706 -8.740 1.00 0.00 C ATOM 148 CZ TYR A 87 -1.892 8.913 -9.433 1.00 0.00 C ATOM 149 OH TYR A 87 -0.950 9.308 -10.359 1.00 0.00 O ATOM 0 H TYR A 87 -2.944 7.225 -4.299 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.788 9.396 -5.219 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.811 6.590 -6.428 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.831 7.943 -6.874 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -4.827 9.942 -8.047 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.563 6.377 -7.266 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -3.133 10.652 -9.713 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -0.871 7.083 -8.932 1.00 0.00 H new ATOM 0 HH TYR A 87 -0.240 8.635 -10.411 1.00 0.00 H new ATOM 159 N ASP A 88 -6.585 8.228 -3.822 1.00 0.00 N ATOM 160 CA ASP A 88 -7.445 7.651 -2.748 1.00 0.00 C ATOM 161 C ASP A 88 -7.946 6.272 -3.175 1.00 0.00 C ATOM 162 O ASP A 88 -8.223 6.044 -4.338 1.00 0.00 O ATOM 163 CB ASP A 88 -8.617 8.620 -2.586 1.00 0.00 C ATOM 164 CG ASP A 88 -8.142 9.887 -1.874 1.00 0.00 C ATOM 165 OD1 ASP A 88 -7.354 9.765 -0.950 1.00 0.00 O ATOM 166 OD2 ASP A 88 -8.572 10.959 -2.265 1.00 0.00 O ATOM 0 H ASP A 88 -6.979 9.031 -4.313 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.902 7.527 -1.811 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.030 8.873 -3.562 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.416 8.148 -2.014 1.00 0.00 H new ATOM 171 N TYR A 89 -8.074 5.349 -2.249 1.00 0.00 N ATOM 172 CA TYR A 89 -8.571 3.986 -2.629 1.00 0.00 C ATOM 173 C TYR A 89 -9.283 3.311 -1.454 1.00 0.00 C ATOM 174 O TYR A 89 -8.784 3.281 -0.348 1.00 0.00 O ATOM 175 CB TYR A 89 -7.336 3.183 -3.040 1.00 0.00 C ATOM 176 CG TYR A 89 -7.802 1.961 -3.794 1.00 0.00 C ATOM 177 CD1 TYR A 89 -8.221 2.086 -5.125 1.00 0.00 C ATOM 178 CD2 TYR A 89 -7.852 0.714 -3.157 1.00 0.00 C ATOM 179 CE1 TYR A 89 -8.686 0.964 -5.820 1.00 0.00 C ATOM 180 CE2 TYR A 89 -8.322 -0.407 -3.853 1.00 0.00 C ATOM 181 CZ TYR A 89 -8.738 -0.283 -5.184 1.00 0.00 C ATOM 182 OH TYR A 89 -9.204 -1.385 -5.866 1.00 0.00 O ATOM 0 H TYR A 89 -7.859 5.477 -1.260 1.00 0.00 H new ATOM 0 HA TYR A 89 -9.297 4.048 -3.440 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.679 3.788 -3.664 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.761 2.892 -2.161 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.185 3.048 -5.615 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.529 0.617 -2.131 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.005 1.060 -6.847 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.364 -1.368 -3.362 1.00 0.00 H new ATOM 0 HH TYR A 89 -9.009 -1.285 -6.821 1.00 0.00 H new ATOM 192 N GLU A 90 -10.451 2.772 -1.701 1.00 0.00 N ATOM 193 CA GLU A 90 -11.226 2.098 -0.618 1.00 0.00 C ATOM 194 C GLU A 90 -11.062 0.577 -0.684 1.00 0.00 C ATOM 195 O GLU A 90 -11.069 -0.012 -1.745 1.00 0.00 O ATOM 196 CB GLU A 90 -12.680 2.479 -0.893 1.00 0.00 C ATOM 197 CG GLU A 90 -12.865 3.977 -0.653 1.00 0.00 C ATOM 198 CD GLU A 90 -12.675 4.293 0.837 1.00 0.00 C ATOM 199 OE1 GLU A 90 -12.824 3.387 1.645 1.00 0.00 O ATOM 200 OE2 GLU A 90 -12.382 5.436 1.145 1.00 0.00 O ATOM 0 H GLU A 90 -10.903 2.771 -2.615 1.00 0.00 H new ATOM 0 HA GLU A 90 -10.887 2.403 0.372 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.945 2.228 -1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.346 1.910 -0.244 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -12.147 4.541 -1.248 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -13.859 4.286 -0.976 1.00 0.00 H new ATOM 207 N ALA A 91 -10.932 -0.060 0.453 1.00 0.00 N ATOM 208 CA ALA A 91 -10.778 -1.556 0.496 1.00 0.00 C ATOM 209 C ALA A 91 -11.854 -2.253 -0.360 1.00 0.00 C ATOM 210 O ALA A 91 -12.937 -1.733 -0.549 1.00 0.00 O ATOM 211 CB ALA A 91 -10.955 -1.928 1.977 1.00 0.00 C ATOM 0 H ALA A 91 -10.925 0.394 1.366 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.814 -1.872 0.096 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -10.857 -3.007 2.095 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -10.191 -1.427 2.572 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -11.943 -1.614 2.315 1.00 0.00 H new ATOM 217 N ILE A 92 -11.561 -3.429 -0.866 1.00 0.00 N ATOM 218 CA ILE A 92 -12.565 -4.177 -1.695 1.00 0.00 C ATOM 219 C ILE A 92 -12.304 -5.687 -1.611 1.00 0.00 C ATOM 220 O ILE A 92 -12.436 -6.397 -2.590 1.00 0.00 O ATOM 221 CB ILE A 92 -12.391 -3.694 -3.145 1.00 0.00 C ATOM 222 CG1 ILE A 92 -10.919 -3.795 -3.573 1.00 0.00 C ATOM 223 CG2 ILE A 92 -12.859 -2.244 -3.268 1.00 0.00 C ATOM 224 CD1 ILE A 92 -10.832 -4.306 -5.016 1.00 0.00 C ATOM 0 H ILE A 92 -10.668 -3.905 -0.741 1.00 0.00 H new ATOM 0 HA ILE A 92 -13.578 -3.994 -1.337 1.00 0.00 H new ATOM 0 HB ILE A 92 -12.992 -4.329 -3.796 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -10.440 -2.819 -3.493 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -10.382 -4.469 -2.906 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -12.733 -1.907 -4.297 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -13.911 -2.176 -2.990 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -12.267 -1.613 -2.605 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -9.786 -4.376 -5.315 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -11.295 -5.291 -5.082 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -11.353 -3.615 -5.679 1.00 0.00 H new ATOM 236 N HIS A 93 -11.940 -6.187 -0.451 1.00 0.00 N ATOM 237 CA HIS A 93 -11.681 -7.662 -0.307 1.00 0.00 C ATOM 238 C HIS A 93 -11.410 -8.026 1.158 1.00 0.00 C ATOM 239 O HIS A 93 -11.632 -7.237 2.056 1.00 0.00 O ATOM 240 CB HIS A 93 -10.434 -7.946 -1.159 1.00 0.00 C ATOM 241 CG HIS A 93 -10.720 -9.077 -2.107 1.00 0.00 C ATOM 242 ND1 HIS A 93 -10.427 -10.396 -1.800 1.00 0.00 N ATOM 243 CD2 HIS A 93 -11.290 -9.098 -3.354 1.00 0.00 C ATOM 244 CE1 HIS A 93 -10.820 -11.150 -2.843 1.00 0.00 C ATOM 245 NE2 HIS A 93 -11.353 -10.409 -3.817 1.00 0.00 N ATOM 0 H HIS A 93 -11.811 -5.641 0.401 1.00 0.00 H new ATOM 0 HA HIS A 93 -12.541 -8.250 -0.628 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -10.151 -7.053 -1.716 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -9.592 -8.201 -0.516 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -11.637 -8.230 -3.894 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -10.717 -12.224 -2.887 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -11.726 -10.734 -4.709 1.00 0.00 H new ATOM 253 N HIS A 94 -10.928 -9.225 1.397 1.00 0.00 N ATOM 254 CA HIS A 94 -10.638 -9.659 2.800 1.00 0.00 C ATOM 255 C HIS A 94 -9.448 -8.872 3.354 1.00 0.00 C ATOM 256 O HIS A 94 -9.617 -7.965 4.146 1.00 0.00 O ATOM 257 CB HIS A 94 -10.301 -11.152 2.707 1.00 0.00 C ATOM 258 CG HIS A 94 -11.570 -11.947 2.571 1.00 0.00 C ATOM 259 ND1 HIS A 94 -12.094 -12.301 1.339 1.00 0.00 N ATOM 260 CD2 HIS A 94 -12.435 -12.460 3.507 1.00 0.00 C ATOM 261 CE1 HIS A 94 -13.226 -12.993 1.562 1.00 0.00 C ATOM 262 NE2 HIS A 94 -13.480 -13.119 2.867 1.00 0.00 N ATOM 0 H HIS A 94 -10.724 -9.921 0.680 1.00 0.00 H new ATOM 0 HA HIS A 94 -11.481 -9.481 3.467 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.651 -11.336 1.852 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -9.755 -11.468 3.596 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -12.321 -12.366 4.577 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -13.853 -13.397 0.781 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -14.270 -13.596 3.301 1.00 0.00 H new ATOM 270 N GLU A 95 -8.247 -9.201 2.935 1.00 0.00 N ATOM 271 CA GLU A 95 -7.052 -8.453 3.436 1.00 0.00 C ATOM 272 C GLU A 95 -6.796 -7.244 2.540 1.00 0.00 C ATOM 273 O GLU A 95 -5.714 -7.059 2.021 1.00 0.00 O ATOM 274 CB GLU A 95 -5.875 -9.441 3.371 1.00 0.00 C ATOM 275 CG GLU A 95 -4.772 -9.040 4.374 1.00 0.00 C ATOM 276 CD GLU A 95 -5.344 -8.952 5.795 1.00 0.00 C ATOM 277 OE1 GLU A 95 -6.252 -9.711 6.095 1.00 0.00 O ATOM 278 OE2 GLU A 95 -4.868 -8.125 6.554 1.00 0.00 O ATOM 0 H GLU A 95 -8.045 -9.950 2.273 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.193 -8.084 4.452 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.227 -10.449 3.593 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.466 -9.461 2.361 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.963 -9.770 4.346 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.344 -8.079 4.088 1.00 0.00 H new ATOM 285 N ASP A 96 -7.795 -6.422 2.366 1.00 0.00 N ATOM 286 CA ASP A 96 -7.642 -5.207 1.519 1.00 0.00 C ATOM 287 C ASP A 96 -7.270 -4.018 2.409 1.00 0.00 C ATOM 288 O ASP A 96 -7.326 -4.110 3.621 1.00 0.00 O ATOM 289 CB ASP A 96 -9.010 -5.011 0.861 1.00 0.00 C ATOM 290 CG ASP A 96 -10.109 -4.824 1.923 1.00 0.00 C ATOM 291 OD1 ASP A 96 -9.789 -4.826 3.102 1.00 0.00 O ATOM 292 OD2 ASP A 96 -11.254 -4.687 1.533 1.00 0.00 O ATOM 0 H ASP A 96 -8.720 -6.543 2.779 1.00 0.00 H new ATOM 0 HA ASP A 96 -6.857 -5.299 0.769 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.981 -4.141 0.205 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.245 -5.873 0.237 1.00 0.00 H new ATOM 297 N LEU A 97 -6.883 -2.911 1.827 1.00 0.00 N ATOM 298 CA LEU A 97 -6.499 -1.728 2.657 1.00 0.00 C ATOM 299 C LEU A 97 -6.887 -0.421 1.963 1.00 0.00 C ATOM 300 O LEU A 97 -6.534 -0.188 0.823 1.00 0.00 O ATOM 301 CB LEU A 97 -4.980 -1.817 2.802 1.00 0.00 C ATOM 302 CG LEU A 97 -4.520 -0.879 3.921 1.00 0.00 C ATOM 303 CD1 LEU A 97 -3.344 -1.507 4.664 1.00 0.00 C ATOM 304 CD2 LEU A 97 -4.084 0.461 3.323 1.00 0.00 C ATOM 0 H LEU A 97 -6.816 -2.775 0.818 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.009 -1.733 3.621 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.685 -2.842 3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.497 -1.545 1.863 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.345 -0.716 4.615 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.018 -0.838 5.460 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.652 -2.460 5.094 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.521 -1.672 3.969 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.757 1.127 4.122 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.261 0.298 2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.923 0.914 2.794 1.00 0.00 H new ATOM 316 N SER A 98 -7.596 0.441 2.652 1.00 0.00 N ATOM 317 CA SER A 98 -7.996 1.745 2.043 1.00 0.00 C ATOM 318 C SER A 98 -6.991 2.830 2.417 1.00 0.00 C ATOM 319 O SER A 98 -6.840 3.176 3.573 1.00 0.00 O ATOM 320 CB SER A 98 -9.355 2.089 2.643 1.00 0.00 C ATOM 321 OG SER A 98 -10.121 0.905 2.805 1.00 0.00 O ATOM 0 H SER A 98 -7.914 0.296 3.610 1.00 0.00 H new ATOM 0 HA SER A 98 -8.033 1.679 0.956 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.224 2.583 3.606 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.883 2.789 1.995 1.00 0.00 H new ATOM 0 HG SER A 98 -11.072 1.136 2.865 1.00 0.00 H new ATOM 327 N PHE A 99 -6.316 3.373 1.443 1.00 0.00 N ATOM 328 CA PHE A 99 -5.318 4.452 1.723 1.00 0.00 C ATOM 329 C PHE A 99 -5.778 5.774 1.098 1.00 0.00 C ATOM 330 O PHE A 99 -6.925 5.916 0.705 1.00 0.00 O ATOM 331 CB PHE A 99 -3.979 3.977 1.130 1.00 0.00 C ATOM 332 CG PHE A 99 -4.143 3.462 -0.287 1.00 0.00 C ATOM 333 CD1 PHE A 99 -4.314 4.361 -1.344 1.00 0.00 C ATOM 334 CD2 PHE A 99 -4.099 2.085 -0.541 1.00 0.00 C ATOM 335 CE1 PHE A 99 -4.443 3.886 -2.655 1.00 0.00 C ATOM 336 CE2 PHE A 99 -4.226 1.610 -1.854 1.00 0.00 C ATOM 337 CZ PHE A 99 -4.398 2.515 -2.911 1.00 0.00 C ATOM 0 H PHE A 99 -6.410 3.117 0.460 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.212 4.635 2.792 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.265 4.801 1.137 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.562 3.189 1.757 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.347 5.423 -1.149 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.967 1.389 0.275 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.578 4.582 -3.470 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.191 0.549 -2.051 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.496 2.151 -3.923 1.00 0.00 H new ATOM 347 N GLN A 100 -4.908 6.754 1.039 1.00 0.00 N ATOM 348 CA GLN A 100 -5.311 8.079 0.479 1.00 0.00 C ATOM 349 C GLN A 100 -4.373 8.535 -0.647 1.00 0.00 C ATOM 350 O GLN A 100 -3.430 7.871 -1.008 1.00 0.00 O ATOM 351 CB GLN A 100 -5.243 9.046 1.666 1.00 0.00 C ATOM 352 CG GLN A 100 -6.635 9.605 1.963 1.00 0.00 C ATOM 353 CD GLN A 100 -6.717 9.998 3.439 1.00 0.00 C ATOM 354 OE1 GLN A 100 -6.263 11.056 3.824 1.00 0.00 O ATOM 355 NE2 GLN A 100 -7.281 9.183 4.287 1.00 0.00 N ATOM 0 H GLN A 100 -3.940 6.692 1.354 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.304 8.035 0.033 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -4.854 8.531 2.544 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.554 9.861 1.443 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.834 10.472 1.332 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.396 8.860 1.730 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.662 8.294 3.963 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -7.341 9.435 5.274 1.00 0.00 H new ATOM 364 N LYS A 101 -4.687 9.657 -1.223 1.00 0.00 N ATOM 365 CA LYS A 101 -3.896 10.206 -2.375 1.00 0.00 C ATOM 366 C LYS A 101 -2.428 10.513 -2.081 1.00 0.00 C ATOM 367 O LYS A 101 -1.637 10.668 -2.990 1.00 0.00 O ATOM 368 CB LYS A 101 -4.610 11.491 -2.734 1.00 0.00 C ATOM 369 CG LYS A 101 -4.089 11.992 -4.069 1.00 0.00 C ATOM 370 CD LYS A 101 -5.214 12.706 -4.806 1.00 0.00 C ATOM 371 CE LYS A 101 -6.282 11.686 -5.212 1.00 0.00 C ATOM 372 NZ LYS A 101 -7.578 12.400 -5.035 1.00 0.00 N ATOM 0 H LYS A 101 -5.477 10.237 -0.942 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.854 9.457 -3.166 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.685 11.321 -2.790 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.446 12.241 -1.961 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.250 12.671 -3.915 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.719 11.158 -4.665 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.652 13.474 -4.168 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.823 13.211 -5.689 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -6.147 11.362 -6.244 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.234 10.793 -4.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.218 12.158 -5.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -8.011 12.115 -4.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.411 13.426 -5.029 1.00 0.00 H new ATOM 386 N GLY A 102 -2.070 10.642 -0.855 1.00 0.00 N ATOM 387 CA GLY A 102 -0.650 10.980 -0.515 1.00 0.00 C ATOM 388 C GLY A 102 -0.246 10.274 0.770 1.00 0.00 C ATOM 389 O GLY A 102 0.459 10.824 1.597 1.00 0.00 O ATOM 0 H GLY A 102 -2.692 10.530 -0.054 1.00 0.00 H new ATOM 0 HA2 GLY A 102 0.010 10.679 -1.329 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.541 12.058 -0.398 1.00 0.00 H new ATOM 393 N ASP A 103 -0.694 9.065 0.946 1.00 0.00 N ATOM 394 CA ASP A 103 -0.345 8.311 2.203 1.00 0.00 C ATOM 395 C ASP A 103 0.938 7.480 2.035 1.00 0.00 C ATOM 396 O ASP A 103 1.458 7.335 0.951 1.00 0.00 O ATOM 397 CB ASP A 103 -1.544 7.403 2.482 1.00 0.00 C ATOM 398 CG ASP A 103 -2.561 8.172 3.329 1.00 0.00 C ATOM 399 OD1 ASP A 103 -2.829 9.316 2.999 1.00 0.00 O ATOM 400 OD2 ASP A 103 -3.058 7.605 4.287 1.00 0.00 O ATOM 0 H ASP A 103 -1.284 8.560 0.285 1.00 0.00 H new ATOM 0 HA ASP A 103 -0.149 8.997 3.027 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.000 7.082 1.545 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -1.222 6.503 3.005 1.00 0.00 H new ATOM 405 N GLN A 104 1.430 6.914 3.111 1.00 0.00 N ATOM 406 CA GLN A 104 2.652 6.060 3.042 1.00 0.00 C ATOM 407 C GLN A 104 2.349 4.685 3.635 1.00 0.00 C ATOM 408 O GLN A 104 1.719 4.572 4.669 1.00 0.00 O ATOM 409 CB GLN A 104 3.714 6.770 3.886 1.00 0.00 C ATOM 410 CG GLN A 104 4.530 7.720 3.006 1.00 0.00 C ATOM 411 CD GLN A 104 6.004 7.644 3.412 1.00 0.00 C ATOM 412 OE1 GLN A 104 6.627 8.651 3.685 1.00 0.00 O ATOM 413 NE2 GLN A 104 6.590 6.477 3.468 1.00 0.00 N ATOM 0 H GLN A 104 1.030 7.010 4.044 1.00 0.00 H new ATOM 0 HA GLN A 104 2.989 5.918 2.015 1.00 0.00 H new ATOM 0 HB2 GLN A 104 3.237 7.327 4.693 1.00 0.00 H new ATOM 0 HB3 GLN A 104 4.372 6.036 4.351 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.416 7.450 1.956 1.00 0.00 H new ATOM 0 HG3 GLN A 104 4.163 8.741 3.115 1.00 0.00 H new ATOM 0 HE21 GLN A 104 6.067 5.632 3.239 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.571 6.411 3.741 1.00 0.00 H new ATOM 422 N MET A 105 2.801 3.644 2.993 1.00 0.00 N ATOM 423 CA MET A 105 2.556 2.267 3.514 1.00 0.00 C ATOM 424 C MET A 105 3.810 1.427 3.307 1.00 0.00 C ATOM 425 O MET A 105 4.606 1.708 2.437 1.00 0.00 O ATOM 426 CB MET A 105 1.394 1.711 2.678 1.00 0.00 C ATOM 427 CG MET A 105 0.181 2.638 2.784 1.00 0.00 C ATOM 428 SD MET A 105 -1.183 1.970 1.796 1.00 0.00 S ATOM 429 CE MET A 105 -0.560 2.459 0.169 1.00 0.00 C ATOM 0 H MET A 105 3.333 3.687 2.124 1.00 0.00 H new ATOM 0 HA MET A 105 2.318 2.258 4.578 1.00 0.00 H new ATOM 0 HB2 MET A 105 1.699 1.615 1.636 1.00 0.00 H new ATOM 0 HB3 MET A 105 1.130 0.712 3.026 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.125 2.735 3.826 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.442 3.637 2.434 1.00 0.00 H new ATOM 0 HE1 MET A 105 -1.399 2.625 -0.507 1.00 0.00 H new ATOM 0 HE2 MET A 105 0.019 3.378 0.262 1.00 0.00 H new ATOM 0 HE3 MET A 105 0.076 1.669 -0.230 1.00 0.00 H new ATOM 439 N VAL A 106 3.992 0.399 4.088 1.00 0.00 N ATOM 440 CA VAL A 106 5.200 -0.459 3.914 1.00 0.00 C ATOM 441 C VAL A 106 4.805 -1.684 3.106 1.00 0.00 C ATOM 442 O VAL A 106 3.678 -2.119 3.140 1.00 0.00 O ATOM 443 CB VAL A 106 5.649 -0.869 5.323 1.00 0.00 C ATOM 444 CG1 VAL A 106 6.978 -1.627 5.258 1.00 0.00 C ATOM 445 CG2 VAL A 106 5.829 0.379 6.196 1.00 0.00 C ATOM 0 H VAL A 106 3.360 0.116 4.837 1.00 0.00 H new ATOM 0 HA VAL A 106 6.006 0.058 3.392 1.00 0.00 H new ATOM 0 HB VAL A 106 4.885 -1.515 5.755 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.284 -1.912 6.265 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.857 -2.523 4.649 1.00 0.00 H new ATOM 0 HG13 VAL A 106 7.741 -0.987 4.814 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.148 0.081 7.195 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.584 1.028 5.752 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.883 0.916 6.262 1.00 0.00 H new ATOM 455 N VAL A 107 5.726 -2.243 2.395 1.00 0.00 N ATOM 456 CA VAL A 107 5.423 -3.446 1.573 1.00 0.00 C ATOM 457 C VAL A 107 5.768 -4.714 2.365 1.00 0.00 C ATOM 458 O VAL A 107 6.824 -4.837 2.953 1.00 0.00 O ATOM 459 CB VAL A 107 6.294 -3.311 0.313 1.00 0.00 C ATOM 460 CG1 VAL A 107 6.164 -4.562 -0.561 1.00 0.00 C ATOM 461 CG2 VAL A 107 5.831 -2.090 -0.482 1.00 0.00 C ATOM 0 H VAL A 107 6.692 -1.919 2.342 1.00 0.00 H new ATOM 0 HA VAL A 107 4.368 -3.520 1.309 1.00 0.00 H new ATOM 0 HB VAL A 107 7.337 -3.195 0.609 1.00 0.00 H new ATOM 0 HG11 VAL A 107 6.786 -4.452 -1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 107 6.489 -5.436 0.004 1.00 0.00 H new ATOM 0 HG13 VAL A 107 5.124 -4.690 -0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 107 6.443 -1.986 -1.378 1.00 0.00 H new ATOM 0 HG22 VAL A 107 4.787 -2.217 -0.768 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.932 -1.196 0.133 1.00 0.00 H new ATOM 471 N LEU A 108 4.874 -5.652 2.356 1.00 0.00 N ATOM 472 CA LEU A 108 5.096 -6.939 3.070 1.00 0.00 C ATOM 473 C LEU A 108 5.625 -7.975 2.068 1.00 0.00 C ATOM 474 O LEU A 108 6.333 -8.900 2.420 1.00 0.00 O ATOM 475 CB LEU A 108 3.700 -7.353 3.559 1.00 0.00 C ATOM 476 CG LEU A 108 3.272 -6.516 4.772 1.00 0.00 C ATOM 477 CD1 LEU A 108 2.479 -5.301 4.307 1.00 0.00 C ATOM 478 CD2 LEU A 108 2.383 -7.370 5.686 1.00 0.00 C ATOM 0 H LEU A 108 3.978 -5.583 1.874 1.00 0.00 H new ATOM 0 HA LEU A 108 5.813 -6.859 3.887 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.977 -7.228 2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 108 3.702 -8.410 3.825 1.00 0.00 H new ATOM 0 HG LEU A 108 4.159 -6.187 5.313 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.178 -4.710 5.172 1.00 0.00 H new ATOM 0 HD12 LEU A 108 3.099 -4.692 3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.592 -5.631 3.766 1.00 0.00 H new ATOM 0 HD21 LEU A 108 2.076 -6.780 6.550 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.500 -7.694 5.135 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.941 -8.244 6.023 1.00 0.00 H new ATOM 490 N GLU A 109 5.288 -7.807 0.813 1.00 0.00 N ATOM 491 CA GLU A 109 5.755 -8.746 -0.246 1.00 0.00 C ATOM 492 C GLU A 109 5.733 -8.032 -1.601 1.00 0.00 C ATOM 493 O GLU A 109 5.343 -6.886 -1.690 1.00 0.00 O ATOM 494 CB GLU A 109 4.760 -9.904 -0.223 1.00 0.00 C ATOM 495 CG GLU A 109 5.165 -10.898 0.866 1.00 0.00 C ATOM 496 CD GLU A 109 4.652 -12.295 0.511 1.00 0.00 C ATOM 497 OE1 GLU A 109 5.113 -12.841 -0.477 1.00 0.00 O ATOM 498 OE2 GLU A 109 3.810 -12.796 1.237 1.00 0.00 O ATOM 0 H GLU A 109 4.699 -7.045 0.475 1.00 0.00 H new ATOM 0 HA GLU A 109 6.774 -9.097 -0.081 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.754 -9.530 -0.034 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.739 -10.399 -1.194 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.250 -10.915 0.970 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.757 -10.584 1.827 1.00 0.00 H new ATOM 505 N GLU A 110 6.120 -8.700 -2.658 1.00 0.00 N ATOM 506 CA GLU A 110 6.100 -8.046 -4.004 1.00 0.00 C ATOM 507 C GLU A 110 5.397 -8.946 -5.024 1.00 0.00 C ATOM 508 O GLU A 110 6.022 -9.717 -5.726 1.00 0.00 O ATOM 509 CB GLU A 110 7.571 -7.849 -4.371 1.00 0.00 C ATOM 510 CG GLU A 110 7.760 -6.490 -5.063 1.00 0.00 C ATOM 511 CD GLU A 110 8.896 -5.716 -4.384 1.00 0.00 C ATOM 512 OE1 GLU A 110 9.998 -6.236 -4.344 1.00 0.00 O ATOM 513 OE2 GLU A 110 8.640 -4.619 -3.915 1.00 0.00 O ATOM 0 H GLU A 110 6.448 -9.666 -2.649 1.00 0.00 H new ATOM 0 HA GLU A 110 5.556 -7.102 -3.997 1.00 0.00 H new ATOM 0 HB2 GLU A 110 8.188 -7.899 -3.474 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.901 -8.652 -5.030 1.00 0.00 H new ATOM 0 HG2 GLU A 110 7.988 -6.638 -6.119 1.00 0.00 H new ATOM 0 HG3 GLU A 110 6.835 -5.915 -5.014 1.00 0.00 H new ATOM 520 N SER A 111 4.094 -8.844 -5.105 1.00 0.00 N ATOM 521 CA SER A 111 3.322 -9.681 -6.070 1.00 0.00 C ATOM 522 C SER A 111 3.059 -8.893 -7.358 1.00 0.00 C ATOM 523 O SER A 111 3.684 -7.881 -7.613 1.00 0.00 O ATOM 524 CB SER A 111 2.013 -9.994 -5.351 1.00 0.00 C ATOM 525 OG SER A 111 1.202 -10.812 -6.181 1.00 0.00 O ATOM 0 H SER A 111 3.529 -8.211 -4.539 1.00 0.00 H new ATOM 0 HA SER A 111 3.855 -10.587 -6.359 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.216 -10.502 -4.408 1.00 0.00 H new ATOM 0 HB3 SER A 111 1.488 -9.070 -5.109 1.00 0.00 H new ATOM 0 HG SER A 111 0.362 -11.015 -5.719 1.00 0.00 H new ATOM 531 N GLY A 112 2.145 -9.356 -8.177 1.00 0.00 N ATOM 532 CA GLY A 112 1.847 -8.642 -9.456 1.00 0.00 C ATOM 533 C GLY A 112 0.494 -7.927 -9.367 1.00 0.00 C ATOM 534 O GLY A 112 -0.463 -8.455 -8.838 1.00 0.00 O ATOM 0 H GLY A 112 1.593 -10.198 -8.014 1.00 0.00 H new ATOM 0 HA2 GLY A 112 2.634 -7.919 -9.668 1.00 0.00 H new ATOM 0 HA3 GLY A 112 1.836 -9.353 -10.282 1.00 0.00 H new ATOM 538 N GLU A 113 0.411 -6.727 -9.903 1.00 0.00 N ATOM 539 CA GLU A 113 -0.872 -5.935 -9.887 1.00 0.00 C ATOM 540 C GLU A 113 -1.257 -5.536 -8.456 1.00 0.00 C ATOM 541 O GLU A 113 -1.315 -4.365 -8.128 1.00 0.00 O ATOM 542 CB GLU A 113 -1.951 -6.841 -10.509 1.00 0.00 C ATOM 543 CG GLU A 113 -2.677 -6.088 -11.629 1.00 0.00 C ATOM 544 CD GLU A 113 -3.419 -4.885 -11.043 1.00 0.00 C ATOM 545 OE1 GLU A 113 -4.266 -5.093 -10.191 1.00 0.00 O ATOM 546 OE2 GLU A 113 -3.125 -3.775 -11.457 1.00 0.00 O ATOM 0 H GLU A 113 1.191 -6.254 -10.359 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.763 -5.008 -10.450 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -1.494 -7.748 -10.905 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.664 -7.151 -9.745 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -1.961 -5.755 -12.381 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -3.380 -6.752 -12.131 1.00 0.00 H new ATOM 553 N TRP A 114 -1.542 -6.493 -7.613 1.00 0.00 N ATOM 554 CA TRP A 114 -1.938 -6.167 -6.211 1.00 0.00 C ATOM 555 C TRP A 114 -0.794 -6.487 -5.243 1.00 0.00 C ATOM 556 O TRP A 114 -0.424 -7.633 -5.068 1.00 0.00 O ATOM 557 CB TRP A 114 -3.140 -7.065 -5.913 1.00 0.00 C ATOM 558 CG TRP A 114 -4.292 -6.695 -6.793 1.00 0.00 C ATOM 559 CD1 TRP A 114 -4.572 -7.266 -7.988 1.00 0.00 C ATOM 560 CD2 TRP A 114 -5.329 -5.696 -6.562 1.00 0.00 C ATOM 561 NE1 TRP A 114 -5.711 -6.679 -8.506 1.00 0.00 N ATOM 562 CE2 TRP A 114 -6.214 -5.707 -7.666 1.00 0.00 C ATOM 563 CE3 TRP A 114 -5.584 -4.792 -5.516 1.00 0.00 C ATOM 564 CZ2 TRP A 114 -7.316 -4.852 -7.730 1.00 0.00 C ATOM 565 CZ3 TRP A 114 -6.693 -3.930 -5.576 1.00 0.00 C ATOM 566 CH2 TRP A 114 -7.557 -3.961 -6.680 1.00 0.00 C ATOM 0 H TRP A 114 -1.518 -7.488 -7.835 1.00 0.00 H new ATOM 0 HA TRP A 114 -2.174 -5.109 -6.094 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -2.872 -8.109 -6.073 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -3.426 -6.966 -4.866 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -3.999 -8.051 -8.459 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -6.129 -6.934 -9.401 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -4.924 -4.760 -4.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -7.977 -4.879 -8.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -6.881 -3.240 -4.767 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -8.408 -3.297 -6.719 1.00 0.00 H new ATOM 577 N TRP A 115 -0.246 -5.486 -4.598 1.00 0.00 N ATOM 578 CA TRP A 115 0.859 -5.733 -3.620 1.00 0.00 C ATOM 579 C TRP A 115 0.297 -5.670 -2.198 1.00 0.00 C ATOM 580 O TRP A 115 -0.640 -4.939 -1.927 1.00 0.00 O ATOM 581 CB TRP A 115 1.870 -4.596 -3.823 1.00 0.00 C ATOM 582 CG TRP A 115 2.488 -4.639 -5.194 1.00 0.00 C ATOM 583 CD1 TRP A 115 2.495 -5.699 -6.045 1.00 0.00 C ATOM 584 CD2 TRP A 115 3.211 -3.572 -5.870 1.00 0.00 C ATOM 585 NE1 TRP A 115 3.172 -5.339 -7.200 1.00 0.00 N ATOM 586 CE2 TRP A 115 3.631 -4.037 -7.139 1.00 0.00 C ATOM 587 CE3 TRP A 115 3.534 -2.254 -5.504 1.00 0.00 C ATOM 588 CZ2 TRP A 115 4.349 -3.218 -8.017 1.00 0.00 C ATOM 589 CZ3 TRP A 115 4.255 -1.428 -6.382 1.00 0.00 C ATOM 590 CH2 TRP A 115 4.662 -1.909 -7.635 1.00 0.00 C ATOM 0 H TRP A 115 -0.516 -4.508 -4.707 1.00 0.00 H new ATOM 0 HA TRP A 115 1.320 -6.710 -3.768 1.00 0.00 H new ATOM 0 HB2 TRP A 115 1.373 -3.637 -3.678 1.00 0.00 H new ATOM 0 HB3 TRP A 115 2.653 -4.667 -3.068 1.00 0.00 H new ATOM 0 HD1 TRP A 115 2.047 -6.663 -5.853 1.00 0.00 H new ATOM 0 HE1 TRP A 115 3.314 -5.959 -7.997 1.00 0.00 H new ATOM 0 HE3 TRP A 115 3.226 -1.874 -4.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 4.659 -3.593 -8.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 4.497 -0.417 -6.091 1.00 0.00 H new ATOM 0 HH2 TRP A 115 5.217 -1.269 -8.305 1.00 0.00 H new ATOM 601 N LYS A 116 0.866 -6.419 -1.291 1.00 0.00 N ATOM 602 CA LYS A 116 0.368 -6.408 0.119 1.00 0.00 C ATOM 603 C LYS A 116 1.193 -5.428 0.964 1.00 0.00 C ATOM 604 O LYS A 116 2.370 -5.641 1.176 1.00 0.00 O ATOM 605 CB LYS A 116 0.578 -7.844 0.613 1.00 0.00 C ATOM 606 CG LYS A 116 -0.693 -8.339 1.301 1.00 0.00 C ATOM 607 CD LYS A 116 -0.442 -9.735 1.864 1.00 0.00 C ATOM 608 CE LYS A 116 -1.752 -10.314 2.400 1.00 0.00 C ATOM 609 NZ LYS A 116 -1.468 -11.759 2.624 1.00 0.00 N ATOM 0 H LYS A 116 1.656 -7.040 -1.465 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.673 -6.092 0.191 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.827 -8.495 -0.225 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.418 -7.882 1.307 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -0.978 -7.656 2.101 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.520 -8.362 0.592 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -0.036 -10.384 1.088 1.00 0.00 H new ATOM 0 HD3 LYS A 116 0.300 -9.689 2.661 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -2.052 -9.822 3.325 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -2.566 -10.177 1.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -2.320 -12.227 2.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -1.191 -12.202 1.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -0.694 -11.858 3.311 1.00 0.00 H new ATOM 623 N ALA A 117 0.595 -4.358 1.441 1.00 0.00 N ATOM 624 CA ALA A 117 1.375 -3.373 2.256 1.00 0.00 C ATOM 625 C ALA A 117 0.677 -3.030 3.585 1.00 0.00 C ATOM 626 O ALA A 117 -0.495 -3.291 3.783 1.00 0.00 O ATOM 627 CB ALA A 117 1.459 -2.127 1.376 1.00 0.00 C ATOM 0 H ALA A 117 -0.389 -4.128 1.302 1.00 0.00 H new ATOM 0 HA ALA A 117 2.350 -3.777 2.529 1.00 0.00 H new ATOM 0 HB1 ALA A 117 2.017 -1.350 1.898 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.966 -2.374 0.443 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.454 -1.767 1.158 1.00 0.00 H new ATOM 633 N ARG A 118 1.409 -2.426 4.495 1.00 0.00 N ATOM 634 CA ARG A 118 0.836 -2.044 5.810 1.00 0.00 C ATOM 635 C ARG A 118 0.796 -0.513 5.952 1.00 0.00 C ATOM 636 O ARG A 118 1.805 0.157 5.845 1.00 0.00 O ATOM 637 CB ARG A 118 1.795 -2.672 6.831 1.00 0.00 C ATOM 638 CG ARG A 118 1.432 -2.234 8.260 1.00 0.00 C ATOM 639 CD ARG A 118 2.669 -1.670 8.965 1.00 0.00 C ATOM 640 NE ARG A 118 2.263 -1.466 10.391 1.00 0.00 N ATOM 641 CZ ARG A 118 3.154 -1.164 11.318 1.00 0.00 C ATOM 642 NH1 ARG A 118 4.423 -0.997 11.024 1.00 0.00 N ATOM 643 NH2 ARG A 118 2.768 -1.025 12.556 1.00 0.00 N ATOM 0 H ARG A 118 2.392 -2.182 4.372 1.00 0.00 H new ATOM 0 HA ARG A 118 -0.190 -2.387 5.944 1.00 0.00 H new ATOM 0 HB2 ARG A 118 1.752 -3.759 6.757 1.00 0.00 H new ATOM 0 HB3 ARG A 118 2.820 -2.377 6.604 1.00 0.00 H new ATOM 0 HG2 ARG A 118 0.645 -1.480 8.229 1.00 0.00 H new ATOM 0 HG3 ARG A 118 1.039 -3.082 8.820 1.00 0.00 H new ATOM 0 HD2 ARG A 118 3.510 -2.360 8.892 1.00 0.00 H new ATOM 0 HD3 ARG A 118 2.986 -0.732 8.510 1.00 0.00 H new ATOM 0 HE ARG A 118 1.281 -1.562 10.651 1.00 0.00 H new ATOM 0 HH11 ARG A 118 4.741 -1.100 10.060 1.00 0.00 H new ATOM 0 HH12 ARG A 118 5.090 -0.764 11.759 1.00 0.00 H new ATOM 0 HH21 ARG A 118 1.786 -1.149 12.801 1.00 0.00 H new ATOM 0 HH22 ARG A 118 3.448 -0.792 13.279 1.00 0.00 H new ATOM 657 N SER A 119 -0.365 0.032 6.218 1.00 0.00 N ATOM 658 CA SER A 119 -0.488 1.508 6.397 1.00 0.00 C ATOM 659 C SER A 119 -0.036 1.887 7.811 1.00 0.00 C ATOM 660 O SER A 119 -0.553 1.380 8.794 1.00 0.00 O ATOM 661 CB SER A 119 -1.974 1.816 6.207 1.00 0.00 C ATOM 662 OG SER A 119 -2.125 3.169 5.796 1.00 0.00 O ATOM 0 H SER A 119 -1.237 -0.487 6.319 1.00 0.00 H new ATOM 0 HA SER A 119 0.128 2.068 5.694 1.00 0.00 H new ATOM 0 HB2 SER A 119 -2.403 1.147 5.461 1.00 0.00 H new ATOM 0 HB3 SER A 119 -2.515 1.644 7.138 1.00 0.00 H new ATOM 0 HG SER A 119 -3.076 3.369 5.672 1.00 0.00 H new ATOM 668 N LEU A 120 0.932 2.761 7.917 1.00 0.00 N ATOM 669 CA LEU A 120 1.448 3.169 9.264 1.00 0.00 C ATOM 670 C LEU A 120 0.451 4.086 9.977 1.00 0.00 C ATOM 671 O LEU A 120 0.425 4.157 11.192 1.00 0.00 O ATOM 672 CB LEU A 120 2.752 3.923 8.986 1.00 0.00 C ATOM 673 CG LEU A 120 3.736 3.011 8.246 1.00 0.00 C ATOM 674 CD1 LEU A 120 4.604 3.851 7.306 1.00 0.00 C ATOM 675 CD2 LEU A 120 4.630 2.298 9.261 1.00 0.00 C ATOM 0 H LEU A 120 1.391 3.213 7.126 1.00 0.00 H new ATOM 0 HA LEU A 120 1.600 2.305 9.912 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.548 4.812 8.389 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.192 4.263 9.923 1.00 0.00 H new ATOM 0 HG LEU A 120 3.181 2.273 7.666 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.304 3.202 6.780 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.968 4.361 6.583 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.159 4.589 7.885 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.331 1.649 8.736 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.184 3.037 9.840 1.00 0.00 H new ATOM 0 HD23 LEU A 120 4.013 1.699 9.932 1.00 0.00 H new ATOM 687 N ALA A 121 -0.368 4.793 9.235 1.00 0.00 N ATOM 688 CA ALA A 121 -1.367 5.710 9.872 1.00 0.00 C ATOM 689 C ALA A 121 -2.264 4.923 10.832 1.00 0.00 C ATOM 690 O ALA A 121 -2.674 5.420 11.864 1.00 0.00 O ATOM 691 CB ALA A 121 -2.188 6.283 8.717 1.00 0.00 C ATOM 0 H ALA A 121 -0.388 4.775 8.215 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.888 6.498 10.453 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -2.942 6.965 9.110 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -1.530 6.822 8.035 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.678 5.470 8.181 1.00 0.00 H new ATOM 697 N THR A 122 -2.551 3.693 10.498 1.00 0.00 N ATOM 698 CA THR A 122 -3.402 2.845 11.382 1.00 0.00 C ATOM 699 C THR A 122 -2.703 1.505 11.673 1.00 0.00 C ATOM 700 O THR A 122 -3.292 0.610 12.247 1.00 0.00 O ATOM 701 CB THR A 122 -4.690 2.600 10.590 1.00 0.00 C ATOM 702 OG1 THR A 122 -4.359 2.145 9.283 1.00 0.00 O ATOM 703 CG2 THR A 122 -5.508 3.892 10.490 1.00 0.00 C ATOM 0 H THR A 122 -2.230 3.236 9.644 1.00 0.00 H new ATOM 0 HA THR A 122 -3.593 3.326 12.341 1.00 0.00 H new ATOM 0 HB THR A 122 -5.285 1.846 11.105 1.00 0.00 H new ATOM 0 HG1 THR A 122 -5.181 1.986 8.774 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.420 3.702 9.924 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.767 4.237 11.491 1.00 0.00 H new ATOM 0 HG23 THR A 122 -4.920 4.657 9.983 1.00 0.00 H new ATOM 711 N ARG A 123 -1.452 1.348 11.268 1.00 0.00 N ATOM 712 CA ARG A 123 -0.721 0.055 11.503 1.00 0.00 C ATOM 713 C ARG A 123 -1.537 -1.120 10.952 1.00 0.00 C ATOM 714 O ARG A 123 -1.483 -2.221 11.466 1.00 0.00 O ATOM 715 CB ARG A 123 -0.563 -0.064 13.021 1.00 0.00 C ATOM 716 CG ARG A 123 0.363 1.043 13.531 1.00 0.00 C ATOM 717 CD ARG A 123 -0.468 2.260 13.962 1.00 0.00 C ATOM 718 NE ARG A 123 0.093 2.688 15.294 1.00 0.00 N ATOM 719 CZ ARG A 123 0.127 1.889 16.338 1.00 0.00 C ATOM 720 NH1 ARG A 123 -0.476 0.724 16.321 1.00 0.00 N ATOM 721 NH2 ARG A 123 0.738 2.280 17.421 1.00 0.00 N ATOM 0 H ARG A 123 -0.910 2.064 10.785 1.00 0.00 H new ATOM 0 HA ARG A 123 0.246 0.039 11.000 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -1.537 0.011 13.505 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -0.154 -1.041 13.278 1.00 0.00 H new ATOM 0 HG2 ARG A 123 0.953 0.678 14.372 1.00 0.00 H new ATOM 0 HG3 ARG A 123 1.066 1.330 12.749 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -0.393 3.064 13.230 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -1.524 2.003 14.047 1.00 0.00 H new ATOM 0 HE ARG A 123 0.461 3.635 15.389 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -0.983 0.424 15.488 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -0.438 0.118 17.141 1.00 0.00 H new ATOM 0 HH21 ARG A 123 1.183 3.197 17.453 1.00 0.00 H new ATOM 0 HH22 ARG A 123 0.771 1.669 18.237 1.00 0.00 H new ATOM 735 N LYS A 124 -2.278 -0.889 9.896 1.00 0.00 N ATOM 736 CA LYS A 124 -3.091 -1.984 9.284 1.00 0.00 C ATOM 737 C LYS A 124 -2.382 -2.493 8.037 1.00 0.00 C ATOM 738 O LYS A 124 -1.384 -1.943 7.641 1.00 0.00 O ATOM 739 CB LYS A 124 -4.418 -1.338 8.902 1.00 0.00 C ATOM 740 CG LYS A 124 -5.110 -0.806 10.155 1.00 0.00 C ATOM 741 CD LYS A 124 -6.569 -0.483 9.826 1.00 0.00 C ATOM 742 CE LYS A 124 -7.407 -1.763 9.925 1.00 0.00 C ATOM 743 NZ LYS A 124 -8.828 -1.306 9.921 1.00 0.00 N ATOM 0 H LYS A 124 -2.354 0.015 9.430 1.00 0.00 H new ATOM 0 HA LYS A 124 -3.234 -2.826 9.961 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -4.248 -0.525 8.196 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -5.058 -2.066 8.403 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -5.060 -1.546 10.954 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -4.600 0.087 10.515 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -6.951 0.270 10.516 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -6.643 -0.063 8.823 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -7.206 -2.430 9.087 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -7.174 -2.316 10.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -9.458 -2.131 9.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -8.993 -0.679 10.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -9.024 -0.790 9.040 1.00 0.00 H new ATOM 757 N GLU A 125 -2.889 -3.518 7.405 1.00 0.00 N ATOM 758 CA GLU A 125 -2.216 -4.026 6.170 1.00 0.00 C ATOM 759 C GLU A 125 -3.190 -4.771 5.264 1.00 0.00 C ATOM 760 O GLU A 125 -4.069 -5.482 5.713 1.00 0.00 O ATOM 761 CB GLU A 125 -1.075 -4.935 6.651 1.00 0.00 C ATOM 762 CG GLU A 125 -1.609 -6.024 7.579 1.00 0.00 C ATOM 763 CD GLU A 125 -1.642 -5.502 9.017 1.00 0.00 C ATOM 764 OE1 GLU A 125 -0.608 -5.056 9.487 1.00 0.00 O ATOM 765 OE2 GLU A 125 -2.699 -5.553 9.621 1.00 0.00 O ATOM 0 H GLU A 125 -3.730 -4.022 7.685 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.832 -3.204 5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -0.580 -5.391 5.793 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -0.325 -4.341 7.173 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -2.610 -6.323 7.267 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -0.977 -6.910 7.517 1.00 0.00 H new ATOM 772 N GLY A 126 -3.014 -4.611 3.980 1.00 0.00 N ATOM 773 CA GLY A 126 -3.898 -5.290 2.996 1.00 0.00 C ATOM 774 C GLY A 126 -3.279 -5.156 1.605 1.00 0.00 C ATOM 775 O GLY A 126 -2.078 -5.063 1.465 1.00 0.00 O ATOM 0 H GLY A 126 -2.284 -4.030 3.568 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -4.016 -6.342 3.257 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -4.893 -4.844 3.011 1.00 0.00 H new ATOM 779 N TYR A 127 -4.092 -5.122 0.582 1.00 0.00 N ATOM 780 CA TYR A 127 -3.561 -4.992 -0.811 1.00 0.00 C ATOM 781 C TYR A 127 -3.540 -3.522 -1.227 1.00 0.00 C ATOM 782 O TYR A 127 -4.124 -2.675 -0.579 1.00 0.00 O ATOM 783 CB TYR A 127 -4.548 -5.747 -1.712 1.00 0.00 C ATOM 784 CG TYR A 127 -4.728 -7.172 -1.256 1.00 0.00 C ATOM 785 CD1 TYR A 127 -3.708 -8.113 -1.441 1.00 0.00 C ATOM 786 CD2 TYR A 127 -5.931 -7.551 -0.656 1.00 0.00 C ATOM 787 CE1 TYR A 127 -3.896 -9.436 -1.021 1.00 0.00 C ATOM 788 CE2 TYR A 127 -6.122 -8.869 -0.237 1.00 0.00 C ATOM 789 CZ TYR A 127 -5.105 -9.815 -0.418 1.00 0.00 C ATOM 790 OH TYR A 127 -5.292 -11.117 -0.004 1.00 0.00 O ATOM 0 H TYR A 127 -5.108 -5.179 0.650 1.00 0.00 H new ATOM 0 HA TYR A 127 -2.548 -5.387 -0.885 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -5.511 -5.237 -1.707 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -4.187 -5.735 -2.740 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -2.779 -7.820 -1.906 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -6.716 -6.822 -0.516 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -3.111 -10.164 -1.161 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -7.053 -9.159 0.226 1.00 0.00 H new ATOM 0 HH TYR A 127 -6.183 -11.209 0.393 1.00 0.00 H new ATOM 800 N ILE A 128 -2.881 -3.225 -2.316 1.00 0.00 N ATOM 801 CA ILE A 128 -2.812 -1.817 -2.813 1.00 0.00 C ATOM 802 C ILE A 128 -2.559 -1.827 -4.333 1.00 0.00 C ATOM 803 O ILE A 128 -1.537 -2.310 -4.777 1.00 0.00 O ATOM 804 CB ILE A 128 -1.646 -1.142 -2.068 1.00 0.00 C ATOM 805 CG1 ILE A 128 -0.390 -2.033 -2.093 1.00 0.00 C ATOM 806 CG2 ILE A 128 -2.056 -0.883 -0.617 1.00 0.00 C ATOM 807 CD1 ILE A 128 0.848 -1.170 -2.343 1.00 0.00 C ATOM 0 H ILE A 128 -2.382 -3.905 -2.889 1.00 0.00 H new ATOM 0 HA ILE A 128 -3.741 -1.276 -2.633 1.00 0.00 H new ATOM 0 HB ILE A 128 -1.413 -0.201 -2.566 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -0.290 -2.564 -1.146 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -0.483 -2.788 -2.874 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -1.233 -0.405 -0.086 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -2.929 -0.230 -0.596 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -2.299 -1.829 -0.133 1.00 0.00 H new ATOM 0 HD11 ILE A 128 1.735 -1.803 -2.360 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.748 -0.659 -3.301 1.00 0.00 H new ATOM 0 HD13 ILE A 128 0.944 -0.432 -1.546 1.00 0.00 H new ATOM 819 N PRO A 129 -3.504 -1.316 -5.103 1.00 0.00 N ATOM 820 CA PRO A 129 -3.348 -1.308 -6.585 1.00 0.00 C ATOM 821 C PRO A 129 -2.011 -0.684 -7.009 1.00 0.00 C ATOM 822 O PRO A 129 -1.832 0.520 -6.973 1.00 0.00 O ATOM 823 CB PRO A 129 -4.520 -0.462 -7.078 1.00 0.00 C ATOM 824 CG PRO A 129 -5.532 -0.510 -5.979 1.00 0.00 C ATOM 825 CD PRO A 129 -4.779 -0.706 -4.689 1.00 0.00 C ATOM 0 HA PRO A 129 -3.347 -2.315 -7.002 1.00 0.00 H new ATOM 0 HB2 PRO A 129 -4.208 0.562 -7.280 1.00 0.00 H new ATOM 0 HB3 PRO A 129 -4.929 -0.860 -8.007 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -6.112 0.412 -5.950 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -6.237 -1.325 -6.141 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -4.618 0.241 -4.174 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -5.326 -1.353 -4.003 1.00 0.00 H new ATOM 833 N SER A 130 -1.081 -1.506 -7.426 1.00 0.00 N ATOM 834 CA SER A 130 0.258 -0.995 -7.873 1.00 0.00 C ATOM 835 C SER A 130 0.110 0.059 -8.980 1.00 0.00 C ATOM 836 O SER A 130 1.022 0.822 -9.235 1.00 0.00 O ATOM 837 CB SER A 130 0.992 -2.224 -8.412 1.00 0.00 C ATOM 838 OG SER A 130 1.002 -3.234 -7.414 1.00 0.00 O ATOM 0 H SER A 130 -1.190 -2.519 -7.477 1.00 0.00 H new ATOM 0 HA SER A 130 0.794 -0.513 -7.056 1.00 0.00 H new ATOM 0 HB2 SER A 130 0.500 -2.591 -9.313 1.00 0.00 H new ATOM 0 HB3 SER A 130 2.012 -1.960 -8.691 1.00 0.00 H new ATOM 0 HG SER A 130 1.892 -3.284 -7.008 1.00 0.00 H new ATOM 844 N ASN A 131 -1.022 0.100 -9.650 1.00 0.00 N ATOM 845 CA ASN A 131 -1.208 1.107 -10.744 1.00 0.00 C ATOM 846 C ASN A 131 -1.664 2.475 -10.191 1.00 0.00 C ATOM 847 O ASN A 131 -2.191 3.292 -10.921 1.00 0.00 O ATOM 848 CB ASN A 131 -2.269 0.510 -11.683 1.00 0.00 C ATOM 849 CG ASN A 131 -3.565 0.229 -10.920 1.00 0.00 C ATOM 850 OD1 ASN A 131 -3.690 -0.789 -10.265 1.00 0.00 O ATOM 851 ND2 ASN A 131 -4.548 1.083 -10.989 1.00 0.00 N ATOM 0 H ASN A 131 -1.818 -0.516 -9.487 1.00 0.00 H new ATOM 0 HA ASN A 131 -0.269 1.297 -11.264 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -2.466 1.200 -12.504 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -1.893 -0.413 -12.125 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -5.420 0.897 -10.494 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -4.444 1.937 -11.538 1.00 0.00 H new ATOM 858 N TYR A 132 -1.452 2.739 -8.918 1.00 0.00 N ATOM 859 CA TYR A 132 -1.842 4.066 -8.332 1.00 0.00 C ATOM 860 C TYR A 132 -0.960 4.360 -7.112 1.00 0.00 C ATOM 861 O TYR A 132 -1.428 4.860 -6.105 1.00 0.00 O ATOM 862 CB TYR A 132 -3.304 3.931 -7.884 1.00 0.00 C ATOM 863 CG TYR A 132 -4.248 4.152 -9.049 1.00 0.00 C ATOM 864 CD1 TYR A 132 -4.058 5.227 -9.932 1.00 0.00 C ATOM 865 CD2 TYR A 132 -5.324 3.278 -9.242 1.00 0.00 C ATOM 866 CE1 TYR A 132 -4.939 5.420 -11.002 1.00 0.00 C ATOM 867 CE2 TYR A 132 -6.204 3.473 -10.311 1.00 0.00 C ATOM 868 CZ TYR A 132 -6.011 4.544 -11.192 1.00 0.00 C ATOM 869 OH TYR A 132 -6.880 4.735 -12.247 1.00 0.00 O ATOM 0 H TYR A 132 -1.024 2.089 -8.259 1.00 0.00 H new ATOM 0 HA TYR A 132 -1.720 4.873 -9.054 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -3.469 2.941 -7.460 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -3.516 4.654 -7.097 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -3.231 5.906 -9.785 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -5.475 2.451 -8.564 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -4.790 6.246 -11.681 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -7.033 2.797 -10.457 1.00 0.00 H new ATOM 0 HH TYR A 132 -7.568 4.037 -12.235 1.00 0.00 H new ATOM 879 N VAL A 133 0.307 4.039 -7.187 1.00 0.00 N ATOM 880 CA VAL A 133 1.208 4.278 -6.020 1.00 0.00 C ATOM 881 C VAL A 133 2.661 4.456 -6.472 1.00 0.00 C ATOM 882 O VAL A 133 3.008 4.213 -7.611 1.00 0.00 O ATOM 883 CB VAL A 133 1.051 3.019 -5.157 1.00 0.00 C ATOM 884 CG1 VAL A 133 1.427 1.772 -5.965 1.00 0.00 C ATOM 885 CG2 VAL A 133 1.941 3.101 -3.917 1.00 0.00 C ATOM 0 H VAL A 133 0.755 3.623 -8.004 1.00 0.00 H new ATOM 0 HA VAL A 133 0.952 5.189 -5.478 1.00 0.00 H new ATOM 0 HB VAL A 133 0.009 2.951 -4.845 1.00 0.00 H new ATOM 0 HG11 VAL A 133 1.311 0.886 -5.341 1.00 0.00 H new ATOM 0 HG12 VAL A 133 0.775 1.691 -6.834 1.00 0.00 H new ATOM 0 HG13 VAL A 133 2.463 1.851 -6.295 1.00 0.00 H new ATOM 0 HG21 VAL A 133 1.815 2.199 -3.318 1.00 0.00 H new ATOM 0 HG22 VAL A 133 2.983 3.191 -4.223 1.00 0.00 H new ATOM 0 HG23 VAL A 133 1.660 3.972 -3.324 1.00 0.00 H new ATOM 895 N ALA A 134 3.506 4.868 -5.567 1.00 0.00 N ATOM 896 CA ALA A 134 4.955 5.059 -5.903 1.00 0.00 C ATOM 897 C ALA A 134 5.822 4.332 -4.867 1.00 0.00 C ATOM 898 O ALA A 134 5.732 4.587 -3.682 1.00 0.00 O ATOM 899 CB ALA A 134 5.187 6.571 -5.851 1.00 0.00 C ATOM 0 H ALA A 134 3.258 5.083 -4.601 1.00 0.00 H new ATOM 0 HA ALA A 134 5.216 4.654 -6.881 1.00 0.00 H new ATOM 0 HB1 ALA A 134 6.229 6.788 -6.087 1.00 0.00 H new ATOM 0 HB2 ALA A 134 4.541 7.063 -6.577 1.00 0.00 H new ATOM 0 HB3 ALA A 134 4.957 6.940 -4.852 1.00 0.00 H new ATOM 905 N ARG A 135 6.629 3.398 -5.305 1.00 0.00 N ATOM 906 CA ARG A 135 7.470 2.617 -4.351 1.00 0.00 C ATOM 907 C ARG A 135 8.833 3.265 -4.079 1.00 0.00 C ATOM 908 O ARG A 135 9.581 3.576 -4.985 1.00 0.00 O ATOM 909 CB ARG A 135 7.677 1.277 -5.042 1.00 0.00 C ATOM 910 CG ARG A 135 7.732 0.164 -3.996 1.00 0.00 C ATOM 911 CD ARG A 135 9.036 -0.623 -4.139 1.00 0.00 C ATOM 912 NE ARG A 135 8.827 -1.540 -5.306 1.00 0.00 N ATOM 913 CZ ARG A 135 9.833 -2.200 -5.848 1.00 0.00 C ATOM 914 NH1 ARG A 135 11.063 -2.071 -5.404 1.00 0.00 N ATOM 915 NH2 ARG A 135 9.601 -2.996 -6.859 1.00 0.00 N ATOM 0 H ARG A 135 6.741 3.143 -6.286 1.00 0.00 H new ATOM 0 HA ARG A 135 6.981 2.548 -3.379 1.00 0.00 H new ATOM 0 HB2 ARG A 135 6.865 1.090 -5.745 1.00 0.00 H new ATOM 0 HB3 ARG A 135 8.601 1.293 -5.620 1.00 0.00 H new ATOM 0 HG2 ARG A 135 7.663 0.590 -2.995 1.00 0.00 H new ATOM 0 HG3 ARG A 135 6.879 -0.504 -4.118 1.00 0.00 H new ATOM 0 HD2 ARG A 135 9.880 0.045 -4.311 1.00 0.00 H new ATOM 0 HD3 ARG A 135 9.255 -1.186 -3.232 1.00 0.00 H new ATOM 0 HE ARG A 135 7.889 -1.656 -5.689 1.00 0.00 H new ATOM 0 HH11 ARG A 135 11.260 -1.448 -4.621 1.00 0.00 H new ATOM 0 HH12 ARG A 135 11.821 -2.594 -5.843 1.00 0.00 H new ATOM 0 HH21 ARG A 135 8.652 -3.100 -7.219 1.00 0.00 H new ATOM 0 HH22 ARG A 135 10.369 -3.513 -7.288 1.00 0.00 H new ATOM 929 N VAL A 136 9.170 3.408 -2.825 1.00 0.00 N ATOM 930 CA VAL A 136 10.497 3.967 -2.439 1.00 0.00 C ATOM 931 C VAL A 136 11.410 2.811 -1.982 1.00 0.00 C ATOM 932 O VAL A 136 10.962 1.855 -1.359 1.00 0.00 O ATOM 933 CB VAL A 136 10.226 4.956 -1.299 1.00 0.00 C ATOM 934 CG1 VAL A 136 9.350 6.096 -1.820 1.00 0.00 C ATOM 935 CG2 VAL A 136 9.515 4.260 -0.134 1.00 0.00 C ATOM 0 H VAL A 136 8.571 3.156 -2.039 1.00 0.00 H new ATOM 0 HA VAL A 136 10.999 4.473 -3.264 1.00 0.00 H new ATOM 0 HB VAL A 136 11.178 5.348 -0.941 1.00 0.00 H new ATOM 0 HG11 VAL A 136 9.154 6.802 -1.013 1.00 0.00 H new ATOM 0 HG12 VAL A 136 9.865 6.608 -2.633 1.00 0.00 H new ATOM 0 HG13 VAL A 136 8.406 5.692 -2.185 1.00 0.00 H new ATOM 0 HG21 VAL A 136 9.333 4.980 0.664 1.00 0.00 H new ATOM 0 HG22 VAL A 136 8.565 3.852 -0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 136 10.141 3.451 0.244 1.00 0.00 H new ATOM 945 N ASP A 137 12.675 2.892 -2.309 1.00 0.00 N ATOM 946 CA ASP A 137 13.648 1.827 -1.941 1.00 0.00 C ATOM 947 C ASP A 137 15.061 2.415 -1.892 1.00 0.00 C ATOM 948 O ASP A 137 15.238 3.599 -1.681 1.00 0.00 O ATOM 949 CB ASP A 137 13.533 0.782 -3.053 1.00 0.00 C ATOM 950 CG ASP A 137 13.696 -0.616 -2.457 1.00 0.00 C ATOM 951 OD1 ASP A 137 14.560 -0.781 -1.610 1.00 0.00 O ATOM 952 OD2 ASP A 137 12.955 -1.499 -2.855 1.00 0.00 O ATOM 0 H ASP A 137 13.080 3.671 -2.828 1.00 0.00 H new ATOM 0 HA ASP A 137 13.446 1.394 -0.961 1.00 0.00 H new ATOM 0 HB2 ASP A 137 12.566 0.867 -3.548 1.00 0.00 H new ATOM 0 HB3 ASP A 137 14.296 0.957 -3.811 1.00 0.00 H new ATOM 957 N SER A 138 16.065 1.598 -2.091 1.00 0.00 N ATOM 958 CA SER A 138 17.468 2.106 -2.065 1.00 0.00 C ATOM 959 C SER A 138 17.958 2.366 -3.492 1.00 0.00 C ATOM 960 O SER A 138 19.090 2.799 -3.642 1.00 0.00 O ATOM 961 CB SER A 138 18.282 0.989 -1.423 1.00 0.00 C ATOM 962 OG SER A 138 19.615 1.439 -1.218 1.00 0.00 O ATOM 0 H SER A 138 15.971 0.598 -2.271 1.00 0.00 H new ATOM 0 HA SER A 138 17.557 3.044 -1.517 1.00 0.00 H new ATOM 0 HB2 SER A 138 17.834 0.697 -0.473 1.00 0.00 H new ATOM 0 HB3 SER A 138 18.278 0.106 -2.063 1.00 0.00 H new ATOM 0 HG SER A 138 19.876 2.033 -1.952 1.00 0.00 H new TER 968 SER A 138