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 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0.203 USER MOD Single : A 100 GLN : amide:sc= -0.0317 X(o=-0.032,f=-0.36) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.038) USER MOD Single : A 105 MET CE :methyl -158:sc= -2.28! (180deg=-3.29) 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 -160:sc= -0.385 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 -143:sc= 1.45 USER MOD Single : A 131 ASN : amide:sc= -3.33! C(o=-3.3!,f=-12!) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N ILE A 81 11.006 -1.592 1.096 1.00 0.00 N ATOM 40 CA ILE A 81 9.871 -1.819 0.152 1.00 0.00 C ATOM 41 C ILE A 81 8.676 -0.945 0.535 1.00 0.00 C ATOM 42 O ILE A 81 7.563 -1.410 0.609 1.00 0.00 O ATOM 43 CB ILE A 81 9.523 -3.315 0.237 1.00 0.00 C ATOM 44 CG1 ILE A 81 8.937 -3.681 1.633 1.00 0.00 C ATOM 45 CG2 ILE A 81 10.774 -4.151 -0.090 1.00 0.00 C ATOM 46 CD1 ILE A 81 10.024 -4.097 2.639 1.00 0.00 C ATOM 0 HA ILE A 81 10.141 -1.548 -0.869 1.00 0.00 H new ATOM 0 HB ILE A 81 8.750 -3.542 -0.497 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.389 -2.826 2.029 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.220 -4.495 1.520 1.00 0.00 H new ATOM 0 HG21 ILE A 81 10.529 -5.211 -0.030 1.00 0.00 H new ATOM 0 HG22 ILE A 81 11.117 -3.914 -1.097 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.563 -3.920 0.626 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.561 -4.341 3.595 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.556 -4.970 2.260 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.727 -3.275 2.776 1.00 0.00 H new ATOM 58 N ILE A 82 8.892 0.319 0.778 1.00 0.00 N ATOM 59 CA ILE A 82 7.746 1.193 1.159 1.00 0.00 C ATOM 60 C ILE A 82 7.241 1.940 -0.064 1.00 0.00 C ATOM 61 O ILE A 82 7.988 2.220 -0.972 1.00 0.00 O ATOM 62 CB ILE A 82 8.289 2.163 2.212 1.00 0.00 C ATOM 63 CG1 ILE A 82 8.890 1.375 3.385 1.00 0.00 C ATOM 64 CG2 ILE A 82 7.147 3.045 2.728 1.00 0.00 C ATOM 65 CD1 ILE A 82 9.843 2.274 4.168 1.00 0.00 C ATOM 0 H ILE A 82 9.801 0.780 0.730 1.00 0.00 H new ATOM 0 HA ILE A 82 6.907 0.621 1.555 1.00 0.00 H new ATOM 0 HB ILE A 82 9.062 2.786 1.762 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.096 1.013 4.038 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.422 0.499 3.014 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.532 3.736 3.478 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.720 3.609 1.899 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.376 2.417 3.175 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.269 1.714 5.001 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.644 2.615 3.512 1.00 0.00 H new ATOM 0 HD13 ILE A 82 9.297 3.136 4.552 1.00 0.00 H new ATOM 77 N VAL A 83 5.978 2.257 -0.093 1.00 0.00 N ATOM 78 CA VAL A 83 5.411 2.988 -1.257 1.00 0.00 C ATOM 79 C VAL A 83 4.486 4.092 -0.760 1.00 0.00 C ATOM 80 O VAL A 83 4.181 4.171 0.416 1.00 0.00 O ATOM 81 CB VAL A 83 4.621 1.934 -2.050 1.00 0.00 C ATOM 82 CG1 VAL A 83 5.571 0.829 -2.520 1.00 0.00 C ATOM 83 CG2 VAL A 83 3.527 1.322 -1.165 1.00 0.00 C ATOM 0 H VAL A 83 5.310 2.039 0.646 1.00 0.00 H new ATOM 0 HA VAL A 83 6.178 3.458 -1.873 1.00 0.00 H new ATOM 0 HB VAL A 83 4.158 2.412 -2.913 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.010 0.082 -3.082 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.343 1.260 -3.158 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.037 0.358 -1.655 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.973 0.577 -1.735 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.984 0.848 -0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.846 2.106 -0.834 1.00 0.00 H new ATOM 93 N VAL A 84 4.018 4.928 -1.643 1.00 0.00 N ATOM 94 CA VAL A 84 3.090 6.010 -1.214 1.00 0.00 C ATOM 95 C VAL A 84 1.825 5.989 -2.071 1.00 0.00 C ATOM 96 O VAL A 84 1.884 6.072 -3.286 1.00 0.00 O ATOM 97 CB VAL A 84 3.870 7.336 -1.363 1.00 0.00 C ATOM 98 CG1 VAL A 84 3.934 7.801 -2.826 1.00 0.00 C ATOM 99 CG2 VAL A 84 3.171 8.415 -0.537 1.00 0.00 C ATOM 0 H VAL A 84 4.237 4.909 -2.639 1.00 0.00 H new ATOM 0 HA VAL A 84 2.762 5.882 -0.182 1.00 0.00 H new ATOM 0 HB VAL A 84 4.889 7.169 -1.014 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.491 8.736 -2.887 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.434 7.042 -3.428 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.923 7.955 -3.203 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.713 9.356 -0.634 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.150 8.545 -0.897 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.150 8.115 0.511 1.00 0.00 H new ATOM 109 N ALA A 85 0.683 5.892 -1.448 1.00 0.00 N ATOM 110 CA ALA A 85 -0.584 5.898 -2.223 1.00 0.00 C ATOM 111 C ALA A 85 -0.722 7.255 -2.894 1.00 0.00 C ATOM 112 O ALA A 85 -0.827 8.268 -2.220 1.00 0.00 O ATOM 113 CB ALA A 85 -1.694 5.719 -1.195 1.00 0.00 C ATOM 0 H ALA A 85 0.575 5.809 -0.437 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.618 5.120 -2.985 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.660 5.714 -1.700 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.554 4.774 -0.670 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.663 6.540 -0.479 1.00 0.00 H new ATOM 119 N LEU A 86 -0.711 7.282 -4.201 1.00 0.00 N ATOM 120 CA LEU A 86 -0.822 8.578 -4.928 1.00 0.00 C ATOM 121 C LEU A 86 -2.274 8.874 -5.291 1.00 0.00 C ATOM 122 O LEU A 86 -2.559 9.856 -5.945 1.00 0.00 O ATOM 123 CB LEU A 86 -0.005 8.381 -6.200 1.00 0.00 C ATOM 124 CG LEU A 86 1.476 8.278 -5.845 1.00 0.00 C ATOM 125 CD1 LEU A 86 2.271 7.904 -7.097 1.00 0.00 C ATOM 126 CD2 LEU A 86 1.967 9.626 -5.312 1.00 0.00 C ATOM 0 H LEU A 86 -0.630 6.458 -4.797 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.468 9.412 -4.322 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.329 7.478 -6.717 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.169 9.215 -6.883 1.00 0.00 H new ATOM 0 HG LEU A 86 1.617 7.513 -5.081 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.329 7.830 -6.847 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.920 6.945 -7.478 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.131 8.671 -7.859 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.025 9.554 -5.058 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.829 10.391 -6.076 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.398 9.894 -4.422 1.00 0.00 H new ATOM 138 N TYR A 87 -3.195 8.036 -4.876 1.00 0.00 N ATOM 139 CA TYR A 87 -4.638 8.273 -5.183 1.00 0.00 C ATOM 140 C TYR A 87 -5.466 7.597 -4.095 1.00 0.00 C ATOM 141 O TYR A 87 -5.048 6.610 -3.514 1.00 0.00 O ATOM 142 CB TYR A 87 -4.912 7.628 -6.550 1.00 0.00 C ATOM 143 CG TYR A 87 -3.945 8.154 -7.584 1.00 0.00 C ATOM 144 CD1 TYR A 87 -4.179 9.388 -8.202 1.00 0.00 C ATOM 145 CD2 TYR A 87 -2.807 7.408 -7.911 1.00 0.00 C ATOM 146 CE1 TYR A 87 -3.274 9.876 -9.150 1.00 0.00 C ATOM 147 CE2 TYR A 87 -1.899 7.898 -8.857 1.00 0.00 C ATOM 148 CZ TYR A 87 -2.134 9.133 -9.479 1.00 0.00 C ATOM 149 OH TYR A 87 -1.238 9.626 -10.409 1.00 0.00 O ATOM 0 H TYR A 87 -3.005 7.193 -4.334 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.892 9.333 -5.213 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.819 6.545 -6.473 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.936 7.838 -6.860 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -5.057 9.962 -7.947 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.630 6.455 -7.434 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -3.455 10.827 -9.629 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.018 7.326 -9.108 1.00 0.00 H new ATOM 0 HH TYR A 87 -0.501 8.990 -10.523 1.00 0.00 H new ATOM 159 N ASP A 88 -6.623 8.120 -3.801 1.00 0.00 N ATOM 160 CA ASP A 88 -7.464 7.506 -2.736 1.00 0.00 C ATOM 161 C ASP A 88 -7.932 6.120 -3.191 1.00 0.00 C ATOM 162 O ASP A 88 -8.089 5.875 -4.373 1.00 0.00 O ATOM 163 CB ASP A 88 -8.657 8.451 -2.553 1.00 0.00 C ATOM 164 CG ASP A 88 -8.221 9.694 -1.767 1.00 0.00 C ATOM 165 OD1 ASP A 88 -7.498 9.539 -0.799 1.00 0.00 O ATOM 166 OD2 ASP A 88 -8.622 10.781 -2.147 1.00 0.00 O ATOM 0 H ASP A 88 -7.022 8.944 -4.251 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.920 7.376 -1.800 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.052 8.745 -3.525 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.461 7.939 -2.024 1.00 0.00 H new ATOM 171 N TYR A 89 -8.158 5.212 -2.272 1.00 0.00 N ATOM 172 CA TYR A 89 -8.622 3.842 -2.679 1.00 0.00 C ATOM 173 C TYR A 89 -9.409 3.172 -1.546 1.00 0.00 C ATOM 174 O TYR A 89 -8.897 2.962 -0.464 1.00 0.00 O ATOM 175 CB TYR A 89 -7.343 3.059 -2.984 1.00 0.00 C ATOM 176 CG TYR A 89 -7.709 1.713 -3.570 1.00 0.00 C ATOM 177 CD1 TYR A 89 -8.233 1.630 -4.869 1.00 0.00 C ATOM 178 CD2 TYR A 89 -7.541 0.547 -2.808 1.00 0.00 C ATOM 179 CE1 TYR A 89 -8.587 0.383 -5.405 1.00 0.00 C ATOM 180 CE2 TYR A 89 -7.895 -0.700 -3.344 1.00 0.00 C ATOM 181 CZ TYR A 89 -8.419 -0.781 -4.642 1.00 0.00 C ATOM 182 OH TYR A 89 -8.767 -2.007 -5.167 1.00 0.00 O ATOM 0 H TYR A 89 -8.044 5.355 -1.268 1.00 0.00 H new ATOM 0 HA TYR A 89 -9.292 3.881 -3.538 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.720 3.616 -3.684 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.759 2.925 -2.074 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.364 2.527 -5.456 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.139 0.610 -1.808 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -8.989 0.320 -6.405 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.764 -1.597 -2.757 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.586 -2.709 -4.507 1.00 0.00 H new ATOM 192 N GLU A 90 -10.655 2.838 -1.794 1.00 0.00 N ATOM 193 CA GLU A 90 -11.497 2.190 -0.737 1.00 0.00 C ATOM 194 C GLU A 90 -11.443 0.659 -0.840 1.00 0.00 C ATOM 195 O GLU A 90 -11.660 0.088 -1.892 1.00 0.00 O ATOM 196 CB GLU A 90 -12.917 2.688 -1.014 1.00 0.00 C ATOM 197 CG GLU A 90 -13.638 2.942 0.310 1.00 0.00 C ATOM 198 CD GLU A 90 -15.027 3.522 0.034 1.00 0.00 C ATOM 199 OE1 GLU A 90 -15.161 4.255 -0.933 1.00 0.00 O ATOM 200 OE2 GLU A 90 -15.934 3.224 0.792 1.00 0.00 O ATOM 0 H GLU A 90 -11.126 2.987 -2.686 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.149 2.441 0.265 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.883 3.604 -1.603 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.464 1.951 -1.602 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -13.726 2.012 0.872 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -13.060 3.632 0.924 1.00 0.00 H new ATOM 207 N ALA A 91 -11.157 -0.003 0.255 1.00 0.00 N ATOM 208 CA ALA A 91 -11.093 -1.500 0.242 1.00 0.00 C ATOM 209 C ALA A 91 -12.444 -2.098 -0.182 1.00 0.00 C ATOM 210 O ALA A 91 -13.299 -1.408 -0.704 1.00 0.00 O ATOM 211 CB ALA A 91 -10.765 -1.891 1.685 1.00 0.00 C ATOM 0 H ALA A 91 -10.965 0.429 1.159 1.00 0.00 H new ATOM 0 HA ALA A 91 -10.352 -1.871 -0.466 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -10.700 -2.976 1.762 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.811 -1.449 1.974 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -11.550 -1.527 2.348 1.00 0.00 H new ATOM 285 N ASP A 96 -7.961 -6.413 2.189 1.00 0.00 N ATOM 286 CA ASP A 96 -7.773 -5.150 1.377 1.00 0.00 C ATOM 287 C ASP A 96 -7.753 -3.905 2.279 1.00 0.00 C ATOM 288 O ASP A 96 -8.611 -3.728 3.122 1.00 0.00 O ATOM 289 CB ASP A 96 -8.975 -5.099 0.428 1.00 0.00 C ATOM 290 CG ASP A 96 -8.561 -4.425 -0.884 1.00 0.00 C ATOM 291 OD1 ASP A 96 -7.901 -3.402 -0.820 1.00 0.00 O ATOM 292 OD2 ASP A 96 -8.910 -4.947 -1.931 1.00 0.00 O ATOM 0 HA ASP A 96 -6.823 -5.159 0.843 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.340 -6.107 0.232 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.794 -4.547 0.890 1.00 0.00 H new ATOM 297 N LEU A 97 -6.765 -3.056 2.119 1.00 0.00 N ATOM 298 CA LEU A 97 -6.675 -1.838 2.982 1.00 0.00 C ATOM 299 C LEU A 97 -6.989 -0.573 2.179 1.00 0.00 C ATOM 300 O LEU A 97 -6.533 -0.405 1.064 1.00 0.00 O ATOM 301 CB LEU A 97 -5.220 -1.808 3.473 1.00 0.00 C ATOM 302 CG LEU A 97 -5.069 -0.757 4.579 1.00 0.00 C ATOM 303 CD1 LEU A 97 -4.126 -1.283 5.664 1.00 0.00 C ATOM 304 CD2 LEU A 97 -4.491 0.527 3.983 1.00 0.00 C ATOM 0 H LEU A 97 -6.020 -3.155 1.430 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.391 -1.871 3.803 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.933 -2.790 3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.551 -1.576 2.644 1.00 0.00 H new ATOM 0 HG LEU A 97 -6.045 -0.551 5.018 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.021 -0.534 6.449 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.536 -2.199 6.089 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.149 -1.491 5.227 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.383 1.276 4.768 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.515 0.317 3.544 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.162 0.904 3.212 1.00 0.00 H new ATOM 316 N SER A 98 -7.751 0.323 2.752 1.00 0.00 N ATOM 317 CA SER A 98 -8.095 1.591 2.048 1.00 0.00 C ATOM 318 C SER A 98 -7.114 2.685 2.456 1.00 0.00 C ATOM 319 O SER A 98 -6.979 3.009 3.622 1.00 0.00 O ATOM 320 CB SER A 98 -9.494 1.953 2.531 1.00 0.00 C ATOM 321 OG SER A 98 -10.285 0.777 2.627 1.00 0.00 O ATOM 0 H SER A 98 -8.152 0.228 3.685 1.00 0.00 H new ATOM 0 HA SER A 98 -8.050 1.484 0.964 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.438 2.446 3.502 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.956 2.659 1.841 1.00 0.00 H new ATOM 0 HG SER A 98 -11.184 1.012 2.939 1.00 0.00 H new ATOM 327 N PHE A 99 -6.436 3.258 1.501 1.00 0.00 N ATOM 328 CA PHE A 99 -5.456 4.349 1.809 1.00 0.00 C ATOM 329 C PHE A 99 -5.895 5.652 1.139 1.00 0.00 C ATOM 330 O PHE A 99 -7.029 5.778 0.703 1.00 0.00 O ATOM 331 CB PHE A 99 -4.089 3.869 1.287 1.00 0.00 C ATOM 332 CG PHE A 99 -4.194 3.313 -0.119 1.00 0.00 C ATOM 333 CD1 PHE A 99 -4.382 4.176 -1.202 1.00 0.00 C ATOM 334 CD2 PHE A 99 -4.086 1.933 -0.334 1.00 0.00 C ATOM 335 CE1 PHE A 99 -4.462 3.663 -2.502 1.00 0.00 C ATOM 336 CE2 PHE A 99 -4.169 1.419 -1.635 1.00 0.00 C ATOM 337 CZ PHE A 99 -4.357 2.287 -2.719 1.00 0.00 C ATOM 0 H PHE A 99 -6.516 3.019 0.513 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.398 4.553 2.878 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.382 4.699 1.299 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.693 3.103 1.953 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.466 5.240 -1.036 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.939 1.266 0.502 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.605 4.332 -3.338 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.088 0.355 -1.802 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.421 1.892 -3.722 1.00 0.00 H new ATOM 347 N GLN A 100 -5.029 6.637 1.088 1.00 0.00 N ATOM 348 CA GLN A 100 -5.432 7.940 0.487 1.00 0.00 C ATOM 349 C GLN A 100 -4.480 8.399 -0.622 1.00 0.00 C ATOM 350 O GLN A 100 -3.531 7.734 -0.978 1.00 0.00 O ATOM 351 CB GLN A 100 -5.428 8.935 1.656 1.00 0.00 C ATOM 352 CG GLN A 100 -6.846 9.475 1.889 1.00 0.00 C ATOM 353 CD GLN A 100 -7.183 9.421 3.381 1.00 0.00 C ATOM 354 OE1 GLN A 100 -6.334 9.659 4.216 1.00 0.00 O ATOM 355 NE2 GLN A 100 -8.394 9.113 3.748 1.00 0.00 N ATOM 0 H GLN A 100 -4.071 6.592 1.434 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.407 7.860 0.006 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.063 8.446 2.559 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.747 9.758 1.441 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.918 10.501 1.527 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.567 8.886 1.322 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -9.105 8.914 3.044 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.631 9.071 4.739 1.00 0.00 H new ATOM 364 N LYS A 101 -4.790 9.530 -1.194 1.00 0.00 N ATOM 365 CA LYS A 101 -3.984 10.089 -2.327 1.00 0.00 C ATOM 366 C LYS A 101 -2.528 10.392 -1.983 1.00 0.00 C ATOM 367 O LYS A 101 -1.686 10.471 -2.857 1.00 0.00 O ATOM 368 CB LYS A 101 -4.694 11.374 -2.707 1.00 0.00 C ATOM 369 CG LYS A 101 -4.197 11.821 -4.071 1.00 0.00 C ATOM 370 CD LYS A 101 -5.335 12.507 -4.816 1.00 0.00 C ATOM 371 CE LYS A 101 -6.350 11.455 -5.273 1.00 0.00 C ATOM 372 NZ LYS A 101 -7.477 12.242 -5.847 1.00 0.00 N ATOM 0 H LYS A 101 -5.586 10.106 -0.920 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.927 9.352 -3.128 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.772 11.217 -2.731 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.501 12.147 -1.963 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.355 12.504 -3.959 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.838 10.963 -4.640 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.819 13.239 -4.169 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.945 13.051 -5.677 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.918 10.783 -6.015 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.683 10.837 -4.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.217 11.594 -6.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.872 12.867 -5.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.130 12.815 -6.642 1.00 0.00 H new ATOM 386 N GLY A 102 -2.236 10.595 -0.746 1.00 0.00 N ATOM 387 CA GLY A 102 -0.832 10.922 -0.344 1.00 0.00 C ATOM 388 C GLY A 102 -0.465 10.114 0.892 1.00 0.00 C ATOM 389 O GLY A 102 0.175 10.609 1.801 1.00 0.00 O ATOM 0 H GLY A 102 -2.906 10.551 0.022 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -0.145 10.694 -1.159 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.739 11.988 -0.137 1.00 0.00 H new ATOM 393 N ASP A 103 -0.877 8.875 0.938 1.00 0.00 N ATOM 394 CA ASP A 103 -0.558 8.032 2.143 1.00 0.00 C ATOM 395 C ASP A 103 0.754 7.262 1.975 1.00 0.00 C ATOM 396 O ASP A 103 1.256 7.097 0.887 1.00 0.00 O ATOM 397 CB ASP A 103 -1.728 7.064 2.303 1.00 0.00 C ATOM 398 CG ASP A 103 -2.798 7.708 3.187 1.00 0.00 C ATOM 399 OD1 ASP A 103 -2.966 8.914 3.097 1.00 0.00 O ATOM 400 OD2 ASP A 103 -3.435 6.985 3.934 1.00 0.00 O ATOM 0 H ASP A 103 -1.414 8.409 0.207 1.00 0.00 H new ATOM 0 HA ASP A 103 -0.426 8.662 3.023 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.146 6.816 1.327 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -1.385 6.131 2.749 1.00 0.00 H new ATOM 405 N GLN A 104 1.287 6.765 3.058 1.00 0.00 N ATOM 406 CA GLN A 104 2.543 5.970 2.998 1.00 0.00 C ATOM 407 C GLN A 104 2.283 4.581 3.570 1.00 0.00 C ATOM 408 O GLN A 104 1.655 4.434 4.602 1.00 0.00 O ATOM 409 CB GLN A 104 3.561 6.723 3.857 1.00 0.00 C ATOM 410 CG GLN A 104 4.340 7.715 2.990 1.00 0.00 C ATOM 411 CD GLN A 104 5.805 7.746 3.438 1.00 0.00 C ATOM 412 OE1 GLN A 104 6.336 8.794 3.746 1.00 0.00 O ATOM 413 NE2 GLN A 104 6.479 6.628 3.488 1.00 0.00 N ATOM 0 H GLN A 104 0.898 6.879 3.994 1.00 0.00 H new ATOM 0 HA GLN A 104 2.908 5.850 1.978 1.00 0.00 H new ATOM 0 HB2 GLN A 104 3.051 7.252 4.662 1.00 0.00 H new ATOM 0 HB3 GLN A 104 4.248 6.018 4.325 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.276 7.426 1.941 1.00 0.00 H new ATOM 0 HG3 GLN A 104 3.902 8.710 3.074 1.00 0.00 H new ATOM 0 HE21 GLN A 104 6.030 5.750 3.229 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.454 6.633 3.786 1.00 0.00 H new ATOM 422 N MET A 105 2.756 3.568 2.904 1.00 0.00 N ATOM 423 CA MET A 105 2.540 2.177 3.391 1.00 0.00 C ATOM 424 C MET A 105 3.785 1.343 3.123 1.00 0.00 C ATOM 425 O MET A 105 4.502 1.570 2.165 1.00 0.00 O ATOM 426 CB MET A 105 1.362 1.648 2.571 1.00 0.00 C ATOM 427 CG MET A 105 0.124 2.508 2.833 1.00 0.00 C ATOM 428 SD MET A 105 -1.297 1.800 1.967 1.00 0.00 S ATOM 429 CE MET A 105 -0.761 2.215 0.290 1.00 0.00 C ATOM 0 H MET A 105 3.287 3.643 2.036 1.00 0.00 H new ATOM 0 HA MET A 105 2.341 2.136 4.462 1.00 0.00 H new ATOM 0 HB2 MET A 105 1.609 1.663 1.510 1.00 0.00 H new ATOM 0 HB3 MET A 105 1.159 0.610 2.836 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.077 2.558 3.903 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.299 3.529 2.493 1.00 0.00 H new ATOM 0 HE1 MET A 105 -1.625 2.234 -0.374 1.00 0.00 H new ATOM 0 HE2 MET A 105 -0.284 3.195 0.293 1.00 0.00 H new ATOM 0 HE3 MET A 105 -0.050 1.467 -0.060 1.00 0.00 H new ATOM 439 N VAL A 106 4.042 0.378 3.955 1.00 0.00 N ATOM 440 CA VAL A 106 5.230 -0.492 3.747 1.00 0.00 C ATOM 441 C VAL A 106 4.752 -1.748 3.033 1.00 0.00 C ATOM 442 O VAL A 106 3.624 -2.155 3.191 1.00 0.00 O ATOM 443 CB VAL A 106 5.759 -0.834 5.143 1.00 0.00 C ATOM 444 CG1 VAL A 106 7.101 -1.556 5.027 1.00 0.00 C ATOM 445 CG2 VAL A 106 5.944 0.446 5.976 1.00 0.00 C ATOM 0 H VAL A 106 3.478 0.152 4.775 1.00 0.00 H new ATOM 0 HA VAL A 106 6.013 -0.019 3.153 1.00 0.00 H new ATOM 0 HB VAL A 106 5.034 -1.481 5.638 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.472 -1.797 6.023 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.971 -2.476 4.456 1.00 0.00 H new ATOM 0 HG13 VAL A 106 7.818 -0.912 4.519 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.320 0.185 6.965 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.656 1.104 5.479 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.986 0.957 6.075 1.00 0.00 H new ATOM 455 N VAL A 107 5.584 -2.365 2.254 1.00 0.00 N ATOM 456 CA VAL A 107 5.140 -3.595 1.528 1.00 0.00 C ATOM 457 C VAL A 107 5.525 -4.846 2.323 1.00 0.00 C ATOM 458 O VAL A 107 6.595 -4.944 2.890 1.00 0.00 O ATOM 459 CB VAL A 107 5.824 -3.553 0.153 1.00 0.00 C ATOM 460 CG1 VAL A 107 5.440 -4.794 -0.656 1.00 0.00 C ATOM 461 CG2 VAL A 107 5.350 -2.309 -0.606 1.00 0.00 C ATOM 0 H VAL A 107 6.548 -2.080 2.083 1.00 0.00 H new ATOM 0 HA VAL A 107 4.057 -3.631 1.409 1.00 0.00 H new ATOM 0 HB VAL A 107 6.905 -3.525 0.292 1.00 0.00 H new ATOM 0 HG11 VAL A 107 5.928 -4.759 -1.630 1.00 0.00 H new ATOM 0 HG12 VAL A 107 5.759 -5.689 -0.122 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.359 -4.819 -0.793 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.832 -2.273 -1.583 1.00 0.00 H new ATOM 0 HG22 VAL A 107 4.269 -2.352 -0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.612 -1.415 -0.039 1.00 0.00 H new ATOM 471 N LEU A 108 4.643 -5.797 2.353 1.00 0.00 N ATOM 472 CA LEU A 108 4.896 -7.066 3.087 1.00 0.00 C ATOM 473 C LEU A 108 5.429 -8.118 2.108 1.00 0.00 C ATOM 474 O LEU A 108 6.147 -9.026 2.481 1.00 0.00 O ATOM 475 CB LEU A 108 3.516 -7.487 3.600 1.00 0.00 C ATOM 476 CG LEU A 108 3.090 -6.618 4.788 1.00 0.00 C ATOM 477 CD1 LEU A 108 2.395 -5.364 4.284 1.00 0.00 C ATOM 478 CD2 LEU A 108 2.115 -7.408 5.668 1.00 0.00 C ATOM 0 H LEU A 108 3.736 -5.750 1.890 1.00 0.00 H new ATOM 0 HA LEU A 108 5.625 -6.957 3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.783 -7.400 2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 108 3.538 -8.535 3.899 1.00 0.00 H new ATOM 0 HG LEU A 108 3.972 -6.340 5.364 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.094 -4.749 5.132 1.00 0.00 H new ATOM 0 HD12 LEU A 108 3.079 -4.799 3.651 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.513 -5.644 3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 108 1.809 -6.793 6.515 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.237 -7.682 5.083 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.604 -8.311 6.033 1.00 0.00 H new ATOM 490 N GLU A 109 5.074 -7.989 0.855 1.00 0.00 N ATOM 491 CA GLU A 109 5.536 -8.953 -0.182 1.00 0.00 C ATOM 492 C GLU A 109 5.510 -8.278 -1.554 1.00 0.00 C ATOM 493 O GLU A 109 4.640 -7.478 -1.839 1.00 0.00 O ATOM 494 CB GLU A 109 4.528 -10.101 -0.136 1.00 0.00 C ATOM 495 CG GLU A 109 4.997 -11.166 0.859 1.00 0.00 C ATOM 496 CD GLU A 109 4.455 -12.532 0.436 1.00 0.00 C ATOM 497 OE1 GLU A 109 4.958 -13.071 -0.538 1.00 0.00 O ATOM 498 OE2 GLU A 109 3.547 -13.016 1.091 1.00 0.00 O ATOM 0 H GLU A 109 4.473 -7.243 0.504 1.00 0.00 H new ATOM 0 HA GLU A 109 6.554 -9.301 -0.006 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.548 -9.724 0.156 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.418 -10.540 -1.128 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.086 -11.190 0.896 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.650 -10.920 1.862 1.00 0.00 H new ATOM 505 N GLU A 110 6.453 -8.592 -2.404 1.00 0.00 N ATOM 506 CA GLU A 110 6.481 -7.968 -3.765 1.00 0.00 C ATOM 507 C GLU A 110 5.963 -8.963 -4.814 1.00 0.00 C ATOM 508 O GLU A 110 6.292 -10.133 -4.784 1.00 0.00 O ATOM 509 CB GLU A 110 7.954 -7.639 -4.015 1.00 0.00 C ATOM 510 CG GLU A 110 8.252 -6.216 -3.523 1.00 0.00 C ATOM 511 CD GLU A 110 7.455 -5.200 -4.351 1.00 0.00 C ATOM 512 OE1 GLU A 110 7.135 -5.506 -5.487 1.00 0.00 O ATOM 513 OE2 GLU A 110 7.179 -4.130 -3.830 1.00 0.00 O ATOM 0 H GLU A 110 7.206 -9.254 -2.216 1.00 0.00 H new ATOM 0 HA GLU A 110 5.849 -7.083 -3.830 1.00 0.00 H new ATOM 0 HB2 GLU A 110 8.591 -8.355 -3.496 1.00 0.00 H new ATOM 0 HB3 GLU A 110 8.181 -7.723 -5.078 1.00 0.00 H new ATOM 0 HG2 GLU A 110 7.991 -6.124 -2.469 1.00 0.00 H new ATOM 0 HG3 GLU A 110 9.319 -6.009 -3.606 1.00 0.00 H new ATOM 520 N SER A 111 5.154 -8.503 -5.739 1.00 0.00 N ATOM 521 CA SER A 111 4.613 -9.415 -6.795 1.00 0.00 C ATOM 522 C SER A 111 4.860 -8.818 -8.183 1.00 0.00 C ATOM 523 O SER A 111 5.680 -9.310 -8.938 1.00 0.00 O ATOM 524 CB SER A 111 3.113 -9.516 -6.511 1.00 0.00 C ATOM 525 OG SER A 111 2.493 -10.302 -7.524 1.00 0.00 O ATOM 0 H SER A 111 4.845 -7.533 -5.808 1.00 0.00 H new ATOM 0 HA SER A 111 5.093 -10.394 -6.779 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.946 -9.966 -5.532 1.00 0.00 H new ATOM 0 HB3 SER A 111 2.669 -8.521 -6.484 1.00 0.00 H new ATOM 0 HG SER A 111 1.532 -10.370 -7.343 1.00 0.00 H new ATOM 531 N GLY A 112 4.163 -7.764 -8.522 1.00 0.00 N ATOM 532 CA GLY A 112 4.360 -7.131 -9.860 1.00 0.00 C ATOM 533 C GLY A 112 3.113 -6.328 -10.254 1.00 0.00 C ATOM 534 O GLY A 112 3.214 -5.251 -10.813 1.00 0.00 O ATOM 0 H GLY A 112 3.465 -7.314 -7.929 1.00 0.00 H new ATOM 0 HA2 GLY A 112 5.231 -6.476 -9.836 1.00 0.00 H new ATOM 0 HA3 GLY A 112 4.559 -7.898 -10.608 1.00 0.00 H new ATOM 538 N GLU A 113 1.941 -6.849 -9.984 1.00 0.00 N ATOM 539 CA GLU A 113 0.683 -6.120 -10.359 1.00 0.00 C ATOM 540 C GLU A 113 -0.165 -5.804 -9.117 1.00 0.00 C ATOM 541 O GLU A 113 -0.881 -4.820 -9.082 1.00 0.00 O ATOM 542 CB GLU A 113 -0.074 -7.065 -11.306 1.00 0.00 C ATOM 543 CG GLU A 113 -0.253 -8.439 -10.653 1.00 0.00 C ATOM 544 CD GLU A 113 -1.194 -9.292 -11.504 1.00 0.00 C ATOM 545 OE1 GLU A 113 -2.396 -9.132 -11.366 1.00 0.00 O ATOM 546 OE2 GLU A 113 -0.696 -10.089 -12.280 1.00 0.00 O ATOM 0 H GLU A 113 1.798 -7.746 -9.521 1.00 0.00 H new ATOM 0 HA GLU A 113 0.904 -5.163 -10.832 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -1.048 -6.642 -11.552 1.00 0.00 H new ATOM 0 HB3 GLU A 113 0.474 -7.168 -12.243 1.00 0.00 H new ATOM 0 HG2 GLU A 113 0.713 -8.934 -10.553 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -0.658 -8.325 -9.648 1.00 0.00 H new ATOM 553 N TRP A 114 -0.094 -6.632 -8.106 1.00 0.00 N ATOM 554 CA TRP A 114 -0.893 -6.389 -6.866 1.00 0.00 C ATOM 555 C TRP A 114 -0.018 -6.664 -5.640 1.00 0.00 C ATOM 556 O TRP A 114 0.228 -7.805 -5.295 1.00 0.00 O ATOM 557 CB TRP A 114 -2.060 -7.380 -6.931 1.00 0.00 C ATOM 558 CG TRP A 114 -3.166 -6.818 -7.774 1.00 0.00 C ATOM 559 CD1 TRP A 114 -3.221 -6.889 -9.124 1.00 0.00 C ATOM 560 CD2 TRP A 114 -4.372 -6.115 -7.354 1.00 0.00 C ATOM 561 NE1 TRP A 114 -4.380 -6.268 -9.558 1.00 0.00 N ATOM 562 CE2 TRP A 114 -5.123 -5.777 -8.505 1.00 0.00 C ATOM 563 CE3 TRP A 114 -4.881 -5.741 -6.099 1.00 0.00 C ATOM 564 CZ2 TRP A 114 -6.336 -5.092 -8.413 1.00 0.00 C ATOM 565 CZ3 TRP A 114 -6.103 -5.053 -6.002 1.00 0.00 C ATOM 566 CH2 TRP A 114 -6.828 -4.728 -7.158 1.00 0.00 C ATOM 0 H TRP A 114 0.486 -7.471 -8.086 1.00 0.00 H new ATOM 0 HA TRP A 114 -1.251 -5.362 -6.792 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -1.720 -8.328 -7.348 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -2.428 -7.588 -5.926 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -2.482 -7.354 -9.759 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -4.651 -6.184 -10.538 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -4.330 -5.984 -5.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -6.890 -4.845 -9.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -6.486 -4.773 -5.032 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -7.765 -4.197 -7.077 1.00 0.00 H new ATOM 577 N TRP A 115 0.469 -5.633 -4.990 1.00 0.00 N ATOM 578 CA TRP A 115 1.352 -5.847 -3.797 1.00 0.00 C ATOM 579 C TRP A 115 0.560 -5.718 -2.496 1.00 0.00 C ATOM 580 O TRP A 115 -0.395 -4.970 -2.406 1.00 0.00 O ATOM 581 CB TRP A 115 2.408 -4.730 -3.824 1.00 0.00 C ATOM 582 CG TRP A 115 3.032 -4.566 -5.182 1.00 0.00 C ATOM 583 CD1 TRP A 115 3.198 -5.541 -6.108 1.00 0.00 C ATOM 584 CD2 TRP A 115 3.585 -3.353 -5.760 1.00 0.00 C ATOM 585 NE1 TRP A 115 3.822 -4.995 -7.218 1.00 0.00 N ATOM 586 CE2 TRP A 115 4.079 -3.649 -7.051 1.00 0.00 C ATOM 587 CE3 TRP A 115 3.701 -2.036 -5.289 1.00 0.00 C ATOM 588 CZ2 TRP A 115 4.671 -2.671 -7.849 1.00 0.00 C ATOM 589 CZ3 TRP A 115 4.296 -1.047 -6.086 1.00 0.00 C ATOM 590 CH2 TRP A 115 4.780 -1.363 -7.365 1.00 0.00 C ATOM 0 H TRP A 115 0.295 -4.657 -5.232 1.00 0.00 H new ATOM 0 HA TRP A 115 1.791 -6.844 -3.837 1.00 0.00 H new ATOM 0 HB2 TRP A 115 1.946 -3.790 -3.523 1.00 0.00 H new ATOM 0 HB3 TRP A 115 3.186 -4.951 -3.094 1.00 0.00 H new ATOM 0 HD1 TRP A 115 2.895 -6.572 -5.999 1.00 0.00 H new ATOM 0 HE1 TRP A 115 4.062 -5.523 -8.057 1.00 0.00 H new ATOM 0 HE3 TRP A 115 3.330 -1.783 -4.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 5.042 -2.921 -8.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 4.382 -0.037 -5.714 1.00 0.00 H new ATOM 0 HH2 TRP A 115 5.236 -0.597 -7.975 1.00 0.00 H new ATOM 601 N LYS A 116 0.991 -6.410 -1.473 1.00 0.00 N ATOM 602 CA LYS A 116 0.312 -6.315 -0.144 1.00 0.00 C ATOM 603 C LYS A 116 1.132 -5.393 0.760 1.00 0.00 C ATOM 604 O LYS A 116 2.308 -5.620 0.951 1.00 0.00 O ATOM 605 CB LYS A 116 0.326 -7.737 0.415 1.00 0.00 C ATOM 606 CG LYS A 116 -1.043 -8.383 0.213 1.00 0.00 C ATOM 607 CD LYS A 116 -0.893 -9.904 0.283 1.00 0.00 C ATOM 608 CE LYS A 116 -1.274 -10.391 1.682 1.00 0.00 C ATOM 609 NZ LYS A 116 -0.955 -11.846 1.682 1.00 0.00 N ATOM 0 H LYS A 116 1.791 -7.042 -1.501 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.701 -5.918 -0.213 1.00 0.00 H new ATOM 0 HB2 LYS A 116 1.094 -8.327 -0.085 1.00 0.00 H new ATOM 0 HB3 LYS A 116 0.577 -7.719 1.475 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -1.738 -8.038 0.978 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.459 -8.090 -0.751 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -1.530 -10.378 -0.464 1.00 0.00 H new ATOM 0 HD3 LYS A 116 0.134 -10.190 0.054 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -0.710 -9.863 2.451 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -2.331 -10.218 1.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -1.189 -12.253 2.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -1.511 -12.323 0.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 0.059 -11.979 1.492 1.00 0.00 H new ATOM 623 N ALA A 117 0.541 -4.358 1.307 1.00 0.00 N ATOM 624 CA ALA A 117 1.330 -3.432 2.178 1.00 0.00 C ATOM 625 C ALA A 117 0.598 -3.120 3.494 1.00 0.00 C ATOM 626 O ALA A 117 -0.579 -3.386 3.652 1.00 0.00 O ATOM 627 CB ALA A 117 1.489 -2.160 1.349 1.00 0.00 C ATOM 0 H ALA A 117 -0.443 -4.116 1.190 1.00 0.00 H new ATOM 0 HA ALA A 117 2.284 -3.875 2.464 1.00 0.00 H new ATOM 0 HB1 ALA A 117 2.059 -1.425 1.917 1.00 0.00 H new ATOM 0 HB2 ALA A 117 2.016 -2.392 0.424 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.505 -1.754 1.114 1.00 0.00 H new ATOM 633 N ARG A 118 1.308 -2.556 4.439 1.00 0.00 N ATOM 634 CA ARG A 118 0.706 -2.217 5.749 1.00 0.00 C ATOM 635 C ARG A 118 0.676 -0.694 5.934 1.00 0.00 C ATOM 636 O ARG A 118 1.684 -0.024 5.824 1.00 0.00 O ATOM 637 CB ARG A 118 1.644 -2.898 6.760 1.00 0.00 C ATOM 638 CG ARG A 118 1.328 -2.462 8.199 1.00 0.00 C ATOM 639 CD ARG A 118 2.625 -2.078 8.919 1.00 0.00 C ATOM 640 NE ARG A 118 2.233 -1.878 10.350 1.00 0.00 N ATOM 641 CZ ARG A 118 3.138 -1.666 11.285 1.00 0.00 C ATOM 642 NH1 ARG A 118 4.414 -1.573 10.995 1.00 0.00 N ATOM 643 NH2 ARG A 118 2.760 -1.540 12.527 1.00 0.00 N ATOM 0 H ARG A 118 2.295 -2.315 4.349 1.00 0.00 H new ATOM 0 HA ARG A 118 -0.326 -2.549 5.859 1.00 0.00 H new ATOM 0 HB2 ARG A 118 1.547 -3.980 6.677 1.00 0.00 H new ATOM 0 HB3 ARG A 118 2.679 -2.651 6.522 1.00 0.00 H new ATOM 0 HG2 ARG A 118 0.641 -1.616 8.190 1.00 0.00 H new ATOM 0 HG3 ARG A 118 0.830 -3.271 8.733 1.00 0.00 H new ATOM 0 HD2 ARG A 118 3.376 -2.862 8.822 1.00 0.00 H new ATOM 0 HD3 ARG A 118 3.056 -1.170 8.498 1.00 0.00 H new ATOM 0 HE ARG A 118 1.246 -1.906 10.607 1.00 0.00 H new ATOM 0 HH11 ARG A 118 4.725 -1.665 10.028 1.00 0.00 H new ATOM 0 HH12 ARG A 118 5.095 -1.409 11.736 1.00 0.00 H new ATOM 0 HH21 ARG A 118 1.771 -1.606 12.768 1.00 0.00 H new ATOM 0 HH22 ARG A 118 3.453 -1.376 13.257 1.00 0.00 H new ATOM 657 N SER A 119 -0.479 -0.155 6.232 1.00 0.00 N ATOM 658 CA SER A 119 -0.590 1.315 6.447 1.00 0.00 C ATOM 659 C SER A 119 -0.065 1.664 7.832 1.00 0.00 C ATOM 660 O SER A 119 -0.629 1.261 8.833 1.00 0.00 O ATOM 661 CB SER A 119 -2.080 1.629 6.348 1.00 0.00 C ATOM 662 OG SER A 119 -2.254 3.033 6.215 1.00 0.00 O ATOM 0 H SER A 119 -1.351 -0.674 6.335 1.00 0.00 H new ATOM 0 HA SER A 119 -0.013 1.887 5.720 1.00 0.00 H new ATOM 0 HB2 SER A 119 -2.516 1.114 5.492 1.00 0.00 H new ATOM 0 HB3 SER A 119 -2.600 1.269 7.236 1.00 0.00 H new ATOM 0 HG SER A 119 -3.210 3.239 6.149 1.00 0.00 H new ATOM 668 N LEU A 120 1.010 2.405 7.892 1.00 0.00 N ATOM 669 CA LEU A 120 1.588 2.785 9.215 1.00 0.00 C ATOM 670 C LEU A 120 0.639 3.733 9.950 1.00 0.00 C ATOM 671 O LEU A 120 0.604 3.763 11.166 1.00 0.00 O ATOM 672 CB LEU A 120 2.912 3.480 8.889 1.00 0.00 C ATOM 673 CG LEU A 120 3.853 2.480 8.215 1.00 0.00 C ATOM 674 CD1 LEU A 120 4.790 3.219 7.260 1.00 0.00 C ATOM 675 CD2 LEU A 120 4.680 1.757 9.278 1.00 0.00 C ATOM 0 H LEU A 120 1.513 2.764 7.081 1.00 0.00 H new ATOM 0 HA LEU A 120 1.738 1.923 9.866 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.737 4.332 8.232 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.367 3.868 9.800 1.00 0.00 H new ATOM 0 HG LEU A 120 3.264 1.753 7.656 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.459 2.504 6.781 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.203 3.732 6.499 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.377 3.948 7.818 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.350 1.045 8.796 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.267 2.484 9.839 1.00 0.00 H new ATOM 0 HD23 LEU A 120 4.014 1.226 9.958 1.00 0.00 H new ATOM 687 N ALA A 121 -0.136 4.503 9.224 1.00 0.00 N ATOM 688 CA ALA A 121 -1.094 5.448 9.882 1.00 0.00 C ATOM 689 C ALA A 121 -2.029 4.685 10.828 1.00 0.00 C ATOM 690 O ALA A 121 -2.499 5.217 11.816 1.00 0.00 O ATOM 691 CB ALA A 121 -1.896 6.075 8.739 1.00 0.00 C ATOM 0 H ALA A 121 -0.147 4.518 8.204 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.577 6.200 10.478 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -2.620 6.780 9.147 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -1.219 6.599 8.064 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.421 5.293 8.191 1.00 0.00 H new ATOM 697 N THR A 122 -2.292 3.438 10.526 1.00 0.00 N ATOM 698 CA THR A 122 -3.187 2.616 11.395 1.00 0.00 C ATOM 699 C THR A 122 -2.585 1.219 11.632 1.00 0.00 C ATOM 700 O THR A 122 -3.252 0.329 12.124 1.00 0.00 O ATOM 701 CB THR A 122 -4.500 2.508 10.617 1.00 0.00 C ATOM 702 OG1 THR A 122 -4.236 2.028 9.306 1.00 0.00 O ATOM 703 CG2 THR A 122 -5.166 3.882 10.529 1.00 0.00 C ATOM 0 H THR A 122 -1.922 2.952 9.709 1.00 0.00 H new ATOM 0 HA THR A 122 -3.326 3.065 12.378 1.00 0.00 H new ATOM 0 HB THR A 122 -5.166 1.817 11.133 1.00 0.00 H new ATOM 0 HG1 THR A 122 -4.988 2.252 8.718 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.100 3.799 9.974 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.372 4.251 11.534 1.00 0.00 H new ATOM 0 HG23 THR A 122 -4.500 4.577 10.017 1.00 0.00 H new ATOM 711 N ARG A 123 -1.332 1.018 11.283 1.00 0.00 N ATOM 712 CA ARG A 123 -0.680 -0.321 11.475 1.00 0.00 C ATOM 713 C ARG A 123 -1.553 -1.444 10.901 1.00 0.00 C ATOM 714 O ARG A 123 -1.533 -2.562 11.381 1.00 0.00 O ATOM 715 CB ARG A 123 -0.527 -0.482 12.986 1.00 0.00 C ATOM 716 CG ARG A 123 0.558 0.475 13.498 1.00 0.00 C ATOM 717 CD ARG A 123 -0.088 1.658 14.232 1.00 0.00 C ATOM 718 NE ARG A 123 0.563 2.899 13.669 1.00 0.00 N ATOM 719 CZ ARG A 123 1.862 3.111 13.725 1.00 0.00 C ATOM 720 NH1 ARG A 123 2.659 2.301 14.382 1.00 0.00 N ATOM 721 NH2 ARG A 123 2.356 4.177 13.151 1.00 0.00 N ATOM 0 H ARG A 123 -0.730 1.730 10.870 1.00 0.00 H new ATOM 0 HA ARG A 123 0.278 -0.378 10.958 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -1.475 -0.272 13.482 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -0.262 -1.511 13.227 1.00 0.00 H new ATOM 0 HG2 ARG A 123 1.234 -0.055 14.169 1.00 0.00 H new ATOM 0 HG3 ARG A 123 1.157 0.838 12.663 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -1.166 1.675 14.072 1.00 0.00 H new ATOM 0 HD3 ARG A 123 0.073 1.586 15.308 1.00 0.00 H new ATOM 0 HE ARG A 123 -0.028 3.603 13.227 1.00 0.00 H new ATOM 0 HH11 ARG A 123 2.276 1.487 14.863 1.00 0.00 H new ATOM 0 HH12 ARG A 123 3.662 2.485 14.412 1.00 0.00 H new ATOM 0 HH21 ARG A 123 1.738 4.830 12.669 1.00 0.00 H new ATOM 0 HH22 ARG A 123 3.360 4.356 13.185 1.00 0.00 H new ATOM 735 N LYS A 124 -2.303 -1.156 9.869 1.00 0.00 N ATOM 736 CA LYS A 124 -3.167 -2.207 9.249 1.00 0.00 C ATOM 737 C LYS A 124 -2.480 -2.740 7.997 1.00 0.00 C ATOM 738 O LYS A 124 -1.435 -2.259 7.628 1.00 0.00 O ATOM 739 CB LYS A 124 -4.465 -1.494 8.882 1.00 0.00 C ATOM 740 CG LYS A 124 -5.128 -0.954 10.151 1.00 0.00 C ATOM 741 CD LYS A 124 -6.641 -0.872 9.942 1.00 0.00 C ATOM 742 CE LYS A 124 -6.985 0.421 9.199 1.00 0.00 C ATOM 743 NZ LYS A 124 -8.465 0.387 9.035 1.00 0.00 N ATOM 0 H LYS A 124 -2.355 -0.238 9.428 1.00 0.00 H new ATOM 0 HA LYS A 124 -3.350 -3.051 9.914 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -4.260 -0.677 8.190 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -5.139 -2.182 8.372 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -4.902 -1.604 10.997 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -4.730 0.032 10.391 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -6.987 -1.734 9.372 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -7.154 -0.899 10.904 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -6.670 1.298 9.765 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -6.482 0.468 8.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -8.778 1.242 8.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -8.734 -0.455 8.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -8.917 0.350 9.971 1.00 0.00 H new ATOM 757 N GLU A 125 -3.055 -3.713 7.332 1.00 0.00 N ATOM 758 CA GLU A 125 -2.405 -4.246 6.089 1.00 0.00 C ATOM 759 C GLU A 125 -3.423 -4.819 5.118 1.00 0.00 C ATOM 760 O GLU A 125 -4.457 -5.336 5.499 1.00 0.00 O ATOM 761 CB GLU A 125 -1.384 -5.332 6.503 1.00 0.00 C ATOM 762 CG GLU A 125 -1.825 -6.088 7.761 1.00 0.00 C ATOM 763 CD GLU A 125 -3.146 -6.816 7.502 1.00 0.00 C ATOM 764 OE1 GLU A 125 -3.197 -7.597 6.566 1.00 0.00 O ATOM 765 OE2 GLU A 125 -4.082 -6.586 8.252 1.00 0.00 O ATOM 0 H GLU A 125 -3.936 -4.158 7.590 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.904 -3.427 5.573 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -1.254 -6.038 5.683 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -0.414 -4.868 6.681 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -1.057 -6.805 8.052 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -1.942 -5.391 8.591 1.00 0.00 H new ATOM 772 N GLY A 126 -3.111 -4.731 3.852 1.00 0.00 N ATOM 773 CA GLY A 126 -4.023 -5.257 2.810 1.00 0.00 C ATOM 774 C GLY A 126 -3.343 -5.186 1.449 1.00 0.00 C ATOM 775 O GLY A 126 -2.132 -5.200 1.343 1.00 0.00 O ATOM 0 H GLY A 126 -2.252 -4.311 3.498 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -4.295 -6.288 3.038 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -4.947 -4.679 2.796 1.00 0.00 H new ATOM 779 N TYR A 127 -4.128 -5.082 0.417 1.00 0.00 N ATOM 780 CA TYR A 127 -3.579 -4.991 -0.958 1.00 0.00 C ATOM 781 C TYR A 127 -3.443 -3.525 -1.355 1.00 0.00 C ATOM 782 O TYR A 127 -4.031 -2.653 -0.742 1.00 0.00 O ATOM 783 CB TYR A 127 -4.636 -5.655 -1.843 1.00 0.00 C ATOM 784 CG TYR A 127 -4.811 -7.107 -1.472 1.00 0.00 C ATOM 785 CD1 TYR A 127 -3.885 -8.067 -1.901 1.00 0.00 C ATOM 786 CD2 TYR A 127 -5.917 -7.495 -0.709 1.00 0.00 C ATOM 787 CE1 TYR A 127 -4.067 -9.413 -1.563 1.00 0.00 C ATOM 788 CE2 TYR A 127 -6.102 -8.840 -0.373 1.00 0.00 C ATOM 789 CZ TYR A 127 -5.177 -9.803 -0.798 1.00 0.00 C ATOM 790 OH TYR A 127 -5.367 -11.136 -0.468 1.00 0.00 O ATOM 0 H TYR A 127 -5.146 -5.056 0.471 1.00 0.00 H new ATOM 0 HA TYR A 127 -2.599 -5.461 -1.047 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -5.586 -5.131 -1.738 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -4.342 -5.575 -2.890 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -3.032 -7.769 -2.492 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -6.630 -6.754 -0.378 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -3.352 -10.153 -1.891 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -6.958 -9.137 0.214 1.00 0.00 H new ATOM 0 HH TYR A 127 -6.184 -11.228 0.066 1.00 0.00 H new ATOM 800 N ILE A 128 -2.693 -3.253 -2.385 1.00 0.00 N ATOM 801 CA ILE A 128 -2.532 -1.847 -2.845 1.00 0.00 C ATOM 802 C ILE A 128 -2.266 -1.838 -4.358 1.00 0.00 C ATOM 803 O ILE A 128 -1.203 -2.225 -4.794 1.00 0.00 O ATOM 804 CB ILE A 128 -1.352 -1.252 -2.057 1.00 0.00 C ATOM 805 CG1 ILE A 128 -0.139 -2.197 -2.053 1.00 0.00 C ATOM 806 CG2 ILE A 128 -1.796 -0.999 -0.615 1.00 0.00 C ATOM 807 CD1 ILE A 128 1.140 -1.369 -1.916 1.00 0.00 C ATOM 0 H ILE A 128 -2.182 -3.947 -2.930 1.00 0.00 H new ATOM 0 HA ILE A 128 -3.428 -1.252 -2.669 1.00 0.00 H new ATOM 0 HB ILE A 128 -1.053 -0.321 -2.539 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -0.218 -2.906 -1.229 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -0.113 -2.779 -2.974 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -0.966 -0.577 -0.048 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -2.632 -0.300 -0.609 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -2.106 -1.939 -0.159 1.00 0.00 H new ATOM 0 HD11 ILE A 128 2.005 -2.033 -1.912 1.00 0.00 H new ATOM 0 HD12 ILE A 128 1.217 -0.677 -2.755 1.00 0.00 H new ATOM 0 HD13 ILE A 128 1.111 -0.806 -0.983 1.00 0.00 H new ATOM 819 N PRO A 129 -3.256 -1.427 -5.132 1.00 0.00 N ATOM 820 CA PRO A 129 -3.104 -1.409 -6.614 1.00 0.00 C ATOM 821 C PRO A 129 -1.782 -0.766 -7.040 1.00 0.00 C ATOM 822 O PRO A 129 -1.601 0.434 -6.959 1.00 0.00 O ATOM 823 CB PRO A 129 -4.289 -0.583 -7.090 1.00 0.00 C ATOM 824 CG PRO A 129 -5.321 -0.733 -6.019 1.00 0.00 C ATOM 825 CD PRO A 129 -4.588 -0.946 -4.723 1.00 0.00 C ATOM 0 HA PRO A 129 -3.086 -2.412 -7.040 1.00 0.00 H new ATOM 0 HB2 PRO A 129 -4.012 0.462 -7.227 1.00 0.00 H new ATOM 0 HB3 PRO A 129 -4.661 -0.943 -8.049 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -5.950 0.155 -5.964 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -5.978 -1.576 -6.233 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -4.518 -0.022 -4.149 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -5.098 -1.675 -4.093 1.00 0.00 H new ATOM 833 N SER A 130 -0.865 -1.573 -7.498 1.00 0.00 N ATOM 834 CA SER A 130 0.462 -1.047 -7.942 1.00 0.00 C ATOM 835 C SER A 130 0.300 -0.050 -9.106 1.00 0.00 C ATOM 836 O SER A 130 1.215 0.684 -9.426 1.00 0.00 O ATOM 837 CB SER A 130 1.245 -2.282 -8.400 1.00 0.00 C ATOM 838 OG SER A 130 1.280 -3.237 -7.345 1.00 0.00 O ATOM 0 H SER A 130 -0.977 -2.583 -7.585 1.00 0.00 H new ATOM 0 HA SER A 130 0.971 -0.508 -7.143 1.00 0.00 H new ATOM 0 HB2 SER A 130 0.777 -2.716 -9.283 1.00 0.00 H new ATOM 0 HB3 SER A 130 2.259 -1.999 -8.683 1.00 0.00 H new ATOM 0 HG SER A 130 2.149 -3.691 -7.343 1.00 0.00 H new ATOM 844 N ASN A 131 -0.845 -0.032 -9.751 1.00 0.00 N ATOM 845 CA ASN A 131 -1.055 0.910 -10.897 1.00 0.00 C ATOM 846 C ASN A 131 -1.410 2.332 -10.420 1.00 0.00 C ATOM 847 O ASN A 131 -1.685 3.203 -11.223 1.00 0.00 O ATOM 848 CB ASN A 131 -2.216 0.308 -11.701 1.00 0.00 C ATOM 849 CG ASN A 131 -3.481 0.209 -10.834 1.00 0.00 C ATOM 850 OD1 ASN A 131 -3.660 0.959 -9.893 1.00 0.00 O ATOM 851 ND2 ASN A 131 -4.375 -0.697 -11.118 1.00 0.00 N ATOM 0 H ASN A 131 -1.642 -0.629 -9.532 1.00 0.00 H new ATOM 0 HA ASN A 131 -0.146 1.016 -11.489 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -2.417 0.924 -12.577 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -1.939 -0.682 -12.064 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -5.220 -0.775 -10.552 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -4.229 -1.328 -11.906 1.00 0.00 H new ATOM 858 N TYR A 132 -1.424 2.570 -9.128 1.00 0.00 N ATOM 859 CA TYR A 132 -1.768 3.937 -8.610 1.00 0.00 C ATOM 860 C TYR A 132 -0.941 4.238 -7.354 1.00 0.00 C ATOM 861 O TYR A 132 -1.462 4.682 -6.346 1.00 0.00 O ATOM 862 CB TYR A 132 -3.258 3.873 -8.250 1.00 0.00 C ATOM 863 CG TYR A 132 -4.106 4.160 -9.471 1.00 0.00 C ATOM 864 CD1 TYR A 132 -3.876 5.313 -10.233 1.00 0.00 C ATOM 865 CD2 TYR A 132 -5.124 3.272 -9.840 1.00 0.00 C ATOM 866 CE1 TYR A 132 -4.664 5.574 -11.362 1.00 0.00 C ATOM 867 CE2 TYR A 132 -5.910 3.533 -10.967 1.00 0.00 C ATOM 868 CZ TYR A 132 -5.679 4.684 -11.728 1.00 0.00 C ATOM 869 OH TYR A 132 -6.455 4.942 -12.841 1.00 0.00 O ATOM 0 H TYR A 132 -1.212 1.878 -8.410 1.00 0.00 H new ATOM 0 HA TYR A 132 -1.559 4.717 -9.342 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -3.501 2.887 -7.853 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -3.481 4.596 -7.466 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -3.092 6.000 -9.951 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -5.303 2.383 -9.253 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -4.488 6.463 -11.950 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -6.695 2.847 -11.250 1.00 0.00 H new ATOM 0 HH TYR A 132 -7.113 4.224 -12.955 1.00 0.00 H new ATOM 879 N VAL A 133 0.340 3.982 -7.403 1.00 0.00 N ATOM 880 CA VAL A 133 1.204 4.226 -6.208 1.00 0.00 C ATOM 881 C VAL A 133 2.651 4.487 -6.634 1.00 0.00 C ATOM 882 O VAL A 133 3.016 4.318 -7.781 1.00 0.00 O ATOM 883 CB VAL A 133 1.094 2.931 -5.384 1.00 0.00 C ATOM 884 CG1 VAL A 133 1.459 1.722 -6.249 1.00 0.00 C ATOM 885 CG2 VAL A 133 2.029 2.968 -4.174 1.00 0.00 C ATOM 0 H VAL A 133 0.827 3.614 -8.220 1.00 0.00 H new ATOM 0 HA VAL A 133 0.893 5.102 -5.639 1.00 0.00 H new ATOM 0 HB VAL A 133 0.064 2.846 -5.038 1.00 0.00 H new ATOM 0 HG11 VAL A 133 1.377 0.812 -5.655 1.00 0.00 H new ATOM 0 HG12 VAL A 133 0.778 1.663 -7.098 1.00 0.00 H new ATOM 0 HG13 VAL A 133 2.482 1.829 -6.611 1.00 0.00 H new ATOM 0 HG21 VAL A 133 1.931 2.041 -3.610 1.00 0.00 H new ATOM 0 HG22 VAL A 133 3.059 3.079 -4.513 1.00 0.00 H new ATOM 0 HG23 VAL A 133 1.765 3.811 -3.536 1.00 0.00 H new ATOM 895 N ALA A 134 3.472 4.896 -5.705 1.00 0.00 N ATOM 896 CA ALA A 134 4.905 5.171 -6.025 1.00 0.00 C ATOM 897 C ALA A 134 5.814 4.367 -5.085 1.00 0.00 C ATOM 898 O ALA A 134 5.703 4.450 -3.875 1.00 0.00 O ATOM 899 CB ALA A 134 5.086 6.678 -5.810 1.00 0.00 C ATOM 0 H ALA A 134 3.211 5.053 -4.731 1.00 0.00 H new ATOM 0 HA ALA A 134 5.167 4.881 -7.043 1.00 0.00 H new ATOM 0 HB1 ALA A 134 6.118 6.955 -6.027 1.00 0.00 H new ATOM 0 HB2 ALA A 134 4.416 7.223 -6.475 1.00 0.00 H new ATOM 0 HB3 ALA A 134 4.853 6.928 -4.775 1.00 0.00 H new ATOM 905 N ARG A 135 6.697 3.572 -5.637 1.00 0.00 N ATOM 906 CA ARG A 135 7.601 2.738 -4.791 1.00 0.00 C ATOM 907 C ARG A 135 8.841 3.509 -4.320 1.00 0.00 C ATOM 908 O ARG A 135 9.472 4.224 -5.074 1.00 0.00 O ATOM 909 CB ARG A 135 8.026 1.584 -5.698 1.00 0.00 C ATOM 910 CG ARG A 135 8.083 0.288 -4.890 1.00 0.00 C ATOM 911 CD ARG A 135 9.540 -0.101 -4.623 1.00 0.00 C ATOM 912 NE ARG A 135 9.914 -1.030 -5.739 1.00 0.00 N ATOM 913 CZ ARG A 135 11.163 -1.415 -5.921 1.00 0.00 C ATOM 914 NH1 ARG A 135 12.125 -1.035 -5.112 1.00 0.00 N ATOM 915 NH2 ARG A 135 11.449 -2.203 -6.921 1.00 0.00 N ATOM 0 H ARG A 135 6.830 3.465 -6.643 1.00 0.00 H new ATOM 0 HA ARG A 135 7.090 2.413 -3.885 1.00 0.00 H new ATOM 0 HB2 ARG A 135 7.322 1.479 -6.523 1.00 0.00 H new ATOM 0 HB3 ARG A 135 9.002 1.794 -6.137 1.00 0.00 H new ATOM 0 HG2 ARG A 135 7.553 0.415 -3.946 1.00 0.00 H new ATOM 0 HG3 ARG A 135 7.579 -0.511 -5.433 1.00 0.00 H new ATOM 0 HD2 ARG A 135 10.185 0.777 -4.610 1.00 0.00 H new ATOM 0 HD3 ARG A 135 9.645 -0.588 -3.654 1.00 0.00 H new ATOM 0 HE ARG A 135 9.189 -1.371 -6.370 1.00 0.00 H new ATOM 0 HH11 ARG A 135 11.915 -0.428 -4.320 1.00 0.00 H new ATOM 0 HH12 ARG A 135 13.082 -1.347 -5.276 1.00 0.00 H new ATOM 0 HH21 ARG A 135 10.711 -2.515 -7.552 1.00 0.00 H new ATOM 0 HH22 ARG A 135 12.411 -2.507 -7.072 1.00 0.00 H new