USER MOD reduce.3.24.130724 H: found=0, std=0, add=350, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 351 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 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -0.193 K(o=-0.19,f=-1.3!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 114 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0666) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl 157:sc= 0 (180deg=-0.0125) USER MOD Single : A 125 ASN : amide:sc= -0.0704 K(o=-0.07,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 88 -16.677 -29.049 1.518 1.00 0.00 N ATOM 2 CA ILE A 88 -17.203 -27.721 1.806 1.00 0.00 C ATOM 3 C ILE A 88 -16.177 -26.873 2.551 1.00 0.00 C ATOM 4 O ILE A 88 -16.008 -25.688 2.263 1.00 0.00 O ATOM 5 CB ILE A 88 -18.494 -27.796 2.642 1.00 0.00 C ATOM 6 CG1 ILE A 88 -19.526 -28.686 1.947 1.00 0.00 C ATOM 7 CG2 ILE A 88 -19.058 -26.402 2.871 1.00 0.00 C ATOM 8 CD1 ILE A 88 -19.886 -28.220 0.553 1.00 0.00 C ATOM 0 HA ILE A 88 -17.428 -27.256 0.846 1.00 0.00 H new ATOM 0 HB ILE A 88 -18.257 -28.235 3.611 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -19.138 -29.703 1.892 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -20.431 -28.722 2.554 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -19.970 -26.471 3.463 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -18.325 -25.796 3.403 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -19.283 -25.938 1.911 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -20.622 -28.898 0.121 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -20.304 -27.214 0.602 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -18.992 -28.211 -0.070 1.00 0.00 H new ATOM 20 N ASP A 89 -15.493 -27.489 3.510 1.00 0.00 N ATOM 21 CA ASP A 89 -14.481 -26.792 4.295 1.00 0.00 C ATOM 22 C ASP A 89 -13.392 -26.221 3.393 1.00 0.00 C ATOM 23 O ASP A 89 -12.832 -25.161 3.673 1.00 0.00 O ATOM 24 CB ASP A 89 -13.863 -27.740 5.324 1.00 0.00 C ATOM 25 CG ASP A 89 -13.766 -27.114 6.702 1.00 0.00 C ATOM 26 OD1 ASP A 89 -14.766 -27.167 7.449 1.00 0.00 O ATOM 27 OD2 ASP A 89 -12.691 -26.572 7.033 1.00 0.00 O ATOM 0 H ASP A 89 -15.621 -28.469 3.762 1.00 0.00 H new ATOM 0 HA ASP A 89 -14.965 -25.966 4.817 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -14.462 -28.649 5.382 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -12.868 -28.035 4.991 1.00 0.00 H new ATOM 32 N VAL A 90 -13.095 -26.930 2.309 1.00 0.00 N ATOM 33 CA VAL A 90 -12.073 -26.494 1.365 1.00 0.00 C ATOM 34 C VAL A 90 -12.452 -25.165 0.720 1.00 0.00 C ATOM 35 O VAL A 90 -11.612 -24.279 0.559 1.00 0.00 O ATOM 36 CB VAL A 90 -11.845 -27.542 0.260 1.00 0.00 C ATOM 37 CG1 VAL A 90 -10.793 -27.058 -0.726 1.00 0.00 C ATOM 38 CG2 VAL A 90 -11.445 -28.877 0.868 1.00 0.00 C ATOM 0 H VAL A 90 -13.548 -27.810 2.062 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.151 -26.369 1.932 1.00 0.00 H new ATOM 0 HB VAL A 90 -12.779 -27.682 -0.283 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.645 -27.812 -1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -11.126 -26.127 -1.185 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.853 -26.888 -0.201 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -11.288 -29.606 0.073 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -10.523 -28.756 1.437 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -12.237 -29.227 1.530 1.00 0.00 H new ATOM 48 N LEU A 91 -13.721 -25.034 0.352 1.00 0.00 N ATOM 49 CA LEU A 91 -14.213 -23.813 -0.276 1.00 0.00 C ATOM 50 C LEU A 91 -14.068 -22.620 0.665 1.00 0.00 C ATOM 51 O LEU A 91 -13.719 -21.520 0.238 1.00 0.00 O ATOM 52 CB LEU A 91 -15.678 -23.979 -0.683 1.00 0.00 C ATOM 53 CG LEU A 91 -15.936 -24.241 -2.168 1.00 0.00 C ATOM 54 CD1 LEU A 91 -17.362 -24.723 -2.385 1.00 0.00 C ATOM 55 CD2 LEU A 91 -15.664 -22.987 -2.986 1.00 0.00 C ATOM 0 H LEU A 91 -14.428 -25.758 0.478 1.00 0.00 H new ATOM 0 HA LEU A 91 -13.614 -23.626 -1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -16.102 -24.803 -0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -16.219 -23.078 -0.394 1.00 0.00 H new ATOM 0 HG LEU A 91 -15.255 -25.024 -2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -17.527 -24.904 -3.447 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -17.522 -25.647 -1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -18.060 -23.963 -2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -15.853 -23.192 -4.040 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -16.320 -22.184 -2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -14.625 -22.686 -2.855 1.00 0.00 H new ATOM 67 N ARG A 92 -14.337 -22.848 1.946 1.00 0.00 N ATOM 68 CA ARG A 92 -14.235 -21.793 2.947 1.00 0.00 C ATOM 69 C ARG A 92 -12.783 -21.363 3.138 1.00 0.00 C ATOM 70 O ARG A 92 -12.489 -20.174 3.260 1.00 0.00 O ATOM 71 CB ARG A 92 -14.817 -22.267 4.280 1.00 0.00 C ATOM 72 CG ARG A 92 -15.145 -21.135 5.239 1.00 0.00 C ATOM 73 CD ARG A 92 -14.723 -21.469 6.661 1.00 0.00 C ATOM 74 NE ARG A 92 -13.280 -21.337 6.848 1.00 0.00 N ATOM 75 CZ ARG A 92 -12.669 -20.178 7.064 1.00 0.00 C ATOM 76 NH1 ARG A 92 -13.372 -19.055 7.119 1.00 0.00 N ATOM 77 NH2 ARG A 92 -11.353 -20.140 7.225 1.00 0.00 N ATOM 0 H ARG A 92 -14.627 -23.753 2.315 1.00 0.00 H new ATOM 0 HA ARG A 92 -14.807 -20.935 2.593 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -15.723 -22.842 4.087 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.106 -22.942 4.757 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -14.642 -20.224 4.914 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -16.216 -20.934 5.214 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -15.241 -20.809 7.357 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -15.028 -22.488 6.900 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.710 -22.182 6.811 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -14.384 -19.080 6.995 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.901 -18.166 7.285 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -10.809 -21.002 7.183 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -10.885 -19.249 7.391 1.00 0.00 H new ATOM 91 N ALA A 93 -11.881 -22.338 3.164 1.00 0.00 N ATOM 92 CA ALA A 93 -10.461 -22.061 3.339 1.00 0.00 C ATOM 93 C ALA A 93 -9.895 -21.315 2.135 1.00 0.00 C ATOM 94 O ALA A 93 -9.228 -20.291 2.283 1.00 0.00 O ATOM 95 CB ALA A 93 -9.695 -23.355 3.568 1.00 0.00 C ATOM 0 H ALA A 93 -12.109 -23.327 3.066 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.346 -21.424 4.216 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.636 -23.133 3.697 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.074 -23.849 4.463 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -9.826 -24.012 2.708 1.00 0.00 H new ATOM 101 N LYS A 94 -10.166 -21.835 0.942 1.00 0.00 N ATOM 102 CA LYS A 94 -9.685 -21.219 -0.288 1.00 0.00 C ATOM 103 C LYS A 94 -10.210 -19.794 -0.425 1.00 0.00 C ATOM 104 O LYS A 94 -9.489 -18.895 -0.858 1.00 0.00 O ATOM 105 CB LYS A 94 -10.112 -22.051 -1.500 1.00 0.00 C ATOM 106 CG LYS A 94 -9.226 -23.258 -1.753 1.00 0.00 C ATOM 107 CD LYS A 94 -9.140 -23.587 -3.234 1.00 0.00 C ATOM 108 CE LYS A 94 -8.054 -24.611 -3.515 1.00 0.00 C ATOM 109 NZ LYS A 94 -8.594 -25.999 -3.540 1.00 0.00 N ATOM 0 H LYS A 94 -10.717 -22.682 0.802 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.596 -21.183 -0.245 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -11.138 -22.388 -1.355 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -10.108 -21.416 -2.386 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.226 -23.064 -1.364 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.618 -24.118 -1.211 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.100 -23.970 -3.579 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -8.938 -22.677 -3.799 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -7.583 -24.387 -4.472 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.279 -24.537 -2.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.822 -26.668 -3.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.021 -26.222 -2.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.316 -26.077 -4.284 1.00 0.00 H new ATOM 123 N ALA A 95 -11.471 -19.594 -0.052 1.00 0.00 N ATOM 124 CA ALA A 95 -12.090 -18.278 -0.131 1.00 0.00 C ATOM 125 C ALA A 95 -11.289 -17.245 0.654 1.00 0.00 C ATOM 126 O ALA A 95 -11.037 -16.142 0.170 1.00 0.00 O ATOM 127 CB ALA A 95 -13.522 -18.337 0.383 1.00 0.00 C ATOM 0 H ALA A 95 -12.082 -20.327 0.307 1.00 0.00 H new ATOM 0 HA ALA A 95 -12.101 -17.972 -1.177 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -13.973 -17.347 0.318 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -14.097 -19.038 -0.222 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -13.523 -18.669 1.421 1.00 0.00 H new ATOM 133 N ALA A 96 -10.889 -17.611 1.868 1.00 0.00 N ATOM 134 CA ALA A 96 -10.114 -16.716 2.719 1.00 0.00 C ATOM 135 C ALA A 96 -8.672 -16.611 2.234 1.00 0.00 C ATOM 136 O ALA A 96 -8.083 -15.529 2.236 1.00 0.00 O ATOM 137 CB ALA A 96 -10.154 -17.195 4.163 1.00 0.00 C ATOM 0 H ALA A 96 -11.089 -18.521 2.284 1.00 0.00 H new ATOM 0 HA ALA A 96 -10.562 -15.724 2.665 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.571 -16.518 4.787 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -11.186 -17.213 4.512 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -9.733 -18.198 4.225 1.00 0.00 H new ATOM 143 N LYS A 97 -8.108 -17.740 1.820 1.00 0.00 N ATOM 144 CA LYS A 97 -6.734 -17.775 1.332 1.00 0.00 C ATOM 145 C LYS A 97 -6.556 -16.840 0.140 1.00 0.00 C ATOM 146 O LYS A 97 -5.590 -16.080 0.076 1.00 0.00 O ATOM 147 CB LYS A 97 -6.349 -19.202 0.936 1.00 0.00 C ATOM 148 CG LYS A 97 -4.860 -19.483 1.048 1.00 0.00 C ATOM 149 CD LYS A 97 -4.516 -20.146 2.371 1.00 0.00 C ATOM 150 CE LYS A 97 -3.554 -19.296 3.187 1.00 0.00 C ATOM 151 NZ LYS A 97 -3.282 -19.894 4.523 1.00 0.00 N ATOM 0 H LYS A 97 -8.581 -18.644 1.812 1.00 0.00 H new ATOM 0 HA LYS A 97 -6.080 -17.438 2.136 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.892 -19.905 1.568 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.669 -19.384 -0.090 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.547 -20.126 0.225 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.304 -18.550 0.952 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.429 -20.315 2.943 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.071 -21.123 2.185 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.617 -19.183 2.642 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.971 -18.297 3.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.622 -19.285 5.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.173 -19.978 5.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.861 -20.837 4.402 1.00 0.00 H new ATOM 165 N GLU A 98 -7.494 -16.901 -0.800 1.00 0.00 N ATOM 166 CA GLU A 98 -7.439 -16.059 -1.989 1.00 0.00 C ATOM 167 C GLU A 98 -7.639 -14.590 -1.624 1.00 0.00 C ATOM 168 O GLU A 98 -7.087 -13.699 -2.269 1.00 0.00 O ATOM 169 CB GLU A 98 -8.502 -16.493 -2.999 1.00 0.00 C ATOM 170 CG GLU A 98 -7.987 -16.578 -4.426 1.00 0.00 C ATOM 171 CD GLU A 98 -9.106 -16.692 -5.444 1.00 0.00 C ATOM 172 OE1 GLU A 98 -9.651 -17.803 -5.605 1.00 0.00 O ATOM 173 OE2 GLU A 98 -9.436 -15.668 -6.079 1.00 0.00 O ATOM 0 H GLU A 98 -8.300 -17.524 -0.761 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.453 -16.174 -2.439 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.895 -17.466 -2.705 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.334 -15.790 -2.963 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.389 -15.693 -4.646 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.327 -17.440 -4.519 1.00 0.00 H new ATOM 180 N ARG A 99 -8.432 -14.347 -0.586 1.00 0.00 N ATOM 181 CA ARG A 99 -8.707 -12.987 -0.136 1.00 0.00 C ATOM 182 C ARG A 99 -7.425 -12.296 0.320 1.00 0.00 C ATOM 183 O ARG A 99 -7.226 -11.108 0.070 1.00 0.00 O ATOM 184 CB ARG A 99 -9.725 -13.002 1.005 1.00 0.00 C ATOM 185 CG ARG A 99 -10.625 -11.777 1.033 1.00 0.00 C ATOM 186 CD ARG A 99 -10.844 -11.278 2.453 1.00 0.00 C ATOM 187 NE ARG A 99 -12.082 -10.516 2.581 1.00 0.00 N ATOM 188 CZ ARG A 99 -13.291 -11.065 2.541 1.00 0.00 C ATOM 189 NH1 ARG A 99 -13.423 -12.374 2.377 1.00 0.00 N ATOM 190 NH2 ARG A 99 -14.372 -10.305 2.664 1.00 0.00 N ATOM 0 H ARG A 99 -8.896 -15.074 -0.041 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.121 -12.429 -0.976 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.344 -13.895 0.917 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.194 -13.074 1.954 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.180 -10.984 0.432 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -11.586 -12.020 0.579 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -10.869 -12.127 3.136 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.002 -10.654 2.752 1.00 0.00 H new ATOM 0 HE ARG A 99 -12.015 -9.506 2.708 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.595 -12.962 2.281 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -14.352 -12.793 2.347 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -14.275 -9.297 2.789 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -15.299 -10.729 2.633 1.00 0.00 H new ATOM 204 N ALA A 100 -6.560 -13.049 0.992 1.00 0.00 N ATOM 205 CA ALA A 100 -5.297 -12.510 1.481 1.00 0.00 C ATOM 206 C ALA A 100 -4.305 -12.313 0.340 1.00 0.00 C ATOM 207 O ALA A 100 -3.459 -11.420 0.389 1.00 0.00 O ATOM 208 CB ALA A 100 -4.708 -13.426 2.543 1.00 0.00 C ATOM 0 H ALA A 100 -6.711 -14.034 1.210 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.495 -11.535 1.927 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.765 -13.011 2.899 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.405 -13.511 3.377 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.532 -14.413 2.115 1.00 0.00 H new ATOM 214 N GLU A 101 -4.414 -13.153 -0.685 1.00 0.00 N ATOM 215 CA GLU A 101 -3.524 -13.071 -1.837 1.00 0.00 C ATOM 216 C GLU A 101 -3.790 -11.800 -2.640 1.00 0.00 C ATOM 217 O GLU A 101 -2.877 -11.229 -3.237 1.00 0.00 O ATOM 218 CB GLU A 101 -3.699 -14.298 -2.733 1.00 0.00 C ATOM 219 CG GLU A 101 -2.407 -15.057 -2.984 1.00 0.00 C ATOM 220 CD GLU A 101 -1.947 -15.843 -1.771 1.00 0.00 C ATOM 221 OE1 GLU A 101 -2.369 -15.502 -0.647 1.00 0.00 O ATOM 222 OE2 GLU A 101 -1.164 -16.799 -1.947 1.00 0.00 O ATOM 0 H GLU A 101 -5.109 -13.897 -0.741 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.498 -13.041 -1.470 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -4.423 -14.972 -2.275 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -4.117 -13.983 -3.689 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.548 -15.739 -3.822 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.627 -14.353 -3.273 1.00 0.00 H new ATOM 229 N ARG A 102 -5.045 -11.364 -2.649 1.00 0.00 N ATOM 230 CA ARG A 102 -5.432 -10.162 -3.379 1.00 0.00 C ATOM 231 C ARG A 102 -5.115 -8.909 -2.569 1.00 0.00 C ATOM 232 O ARG A 102 -4.852 -7.845 -3.130 1.00 0.00 O ATOM 233 CB ARG A 102 -6.923 -10.202 -3.716 1.00 0.00 C ATOM 234 CG ARG A 102 -7.360 -11.489 -4.397 1.00 0.00 C ATOM 235 CD ARG A 102 -8.190 -11.207 -5.640 1.00 0.00 C ATOM 236 NE ARG A 102 -9.296 -10.295 -5.364 1.00 0.00 N ATOM 237 CZ ARG A 102 -10.032 -9.725 -6.312 1.00 0.00 C ATOM 238 NH1 ARG A 102 -9.781 -9.972 -7.590 1.00 0.00 N ATOM 239 NH2 ARG A 102 -11.022 -8.906 -5.981 1.00 0.00 N ATOM 0 H ARG A 102 -5.812 -11.825 -2.159 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.859 -10.129 -4.305 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -7.498 -10.073 -2.799 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -7.163 -9.359 -4.364 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -6.482 -12.074 -4.670 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.941 -12.092 -3.699 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -7.551 -10.779 -6.413 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -8.583 -12.144 -6.034 1.00 0.00 H new ATOM 0 HE ARG A 102 -9.516 -10.084 -4.391 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -9.021 -10.601 -7.848 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -10.348 -9.533 -8.315 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -11.218 -8.714 -4.999 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -11.587 -8.468 -6.709 1.00 0.00 H new ATOM 253 N ARG A 103 -5.143 -9.042 -1.247 1.00 0.00 N ATOM 254 CA ARG A 103 -4.861 -7.919 -0.360 1.00 0.00 C ATOM 255 C ARG A 103 -3.423 -7.440 -0.531 1.00 0.00 C ATOM 256 O ARG A 103 -3.135 -6.249 -0.406 1.00 0.00 O ATOM 257 CB ARG A 103 -5.108 -8.318 1.096 1.00 0.00 C ATOM 258 CG ARG A 103 -5.010 -7.156 2.071 1.00 0.00 C ATOM 259 CD ARG A 103 -4.368 -7.582 3.382 1.00 0.00 C ATOM 260 NE ARG A 103 -3.098 -6.899 3.616 1.00 0.00 N ATOM 261 CZ ARG A 103 -3.004 -5.668 4.103 1.00 0.00 C ATOM 262 NH1 ARG A 103 -4.100 -4.986 4.407 1.00 0.00 N ATOM 263 NH2 ARG A 103 -1.812 -5.114 4.289 1.00 0.00 N ATOM 0 H ARG A 103 -5.358 -9.916 -0.766 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.532 -7.101 -0.624 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -6.098 -8.767 1.178 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -4.386 -9.083 1.382 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -4.426 -6.352 1.623 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -6.006 -6.757 2.265 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -5.050 -7.371 4.205 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -4.204 -8.660 3.372 1.00 0.00 H new ATOM 0 HE ARG A 103 -2.236 -7.396 3.393 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -5.018 -5.407 4.267 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -4.025 -4.040 4.781 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -0.966 -5.635 4.057 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -1.742 -4.168 4.663 1.00 0.00 H new ATOM 277 N LEU A 104 -2.523 -8.375 -0.815 1.00 0.00 N ATOM 278 CA LEU A 104 -1.113 -8.048 -1.003 1.00 0.00 C ATOM 279 C LEU A 104 -0.906 -7.242 -2.281 1.00 0.00 C ATOM 280 O LEU A 104 -0.287 -6.179 -2.261 1.00 0.00 O ATOM 281 CB LEU A 104 -0.275 -9.327 -1.052 1.00 0.00 C ATOM 282 CG LEU A 104 0.478 -9.686 0.229 1.00 0.00 C ATOM 283 CD1 LEU A 104 -0.494 -9.885 1.382 1.00 0.00 C ATOM 284 CD2 LEU A 104 1.322 -10.934 0.020 1.00 0.00 C ATOM 0 H LEU A 104 -2.744 -9.365 -0.920 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.790 -7.441 -0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.932 -10.158 -1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.449 -9.232 -1.861 1.00 0.00 H new ATOM 0 HG LEU A 104 1.143 -8.860 0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.060 -10.140 2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.055 -8.965 1.548 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.185 -10.693 1.140 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.851 -11.174 0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.676 -11.768 -0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.044 -10.755 -0.776 1.00 0.00 H new ATOM 296 N GLN A 105 -1.430 -7.755 -3.389 1.00 0.00 N ATOM 297 CA GLN A 105 -1.304 -7.080 -4.676 1.00 0.00 C ATOM 298 C GLN A 105 -2.437 -6.079 -4.880 1.00 0.00 C ATOM 299 O GLN A 105 -3.190 -6.168 -5.849 1.00 0.00 O ATOM 300 CB GLN A 105 -1.301 -8.103 -5.814 1.00 0.00 C ATOM 301 CG GLN A 105 -0.162 -9.106 -5.726 1.00 0.00 C ATOM 302 CD GLN A 105 0.428 -9.438 -7.083 1.00 0.00 C ATOM 303 OE1 GLN A 105 0.477 -8.591 -7.975 1.00 0.00 O ATOM 304 NE2 GLN A 105 0.882 -10.676 -7.245 1.00 0.00 N ATOM 0 H GLN A 105 -1.945 -8.635 -3.422 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.359 -6.537 -4.682 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.249 -8.641 -5.811 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -1.237 -7.576 -6.766 1.00 0.00 H new ATOM 0 HG2 GLN A 105 0.621 -8.706 -5.082 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -0.524 -10.021 -5.257 1.00 0.00 H new ATOM 0 HE21 GLN A 105 0.821 -11.346 -6.478 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.291 -10.957 -8.136 1.00 0.00 H new ATOM 313 N SER A 106 -2.551 -5.127 -3.959 1.00 0.00 N ATOM 314 CA SER A 106 -3.595 -4.112 -4.036 1.00 0.00 C ATOM 315 C SER A 106 -3.073 -2.846 -4.710 1.00 0.00 C ATOM 316 O SER A 106 -3.609 -2.407 -5.727 1.00 0.00 O ATOM 317 CB SER A 106 -4.115 -3.779 -2.636 1.00 0.00 C ATOM 318 OG SER A 106 -4.709 -2.493 -2.605 1.00 0.00 O ATOM 0 H SER A 106 -1.934 -5.038 -3.152 1.00 0.00 H new ATOM 0 HA SER A 106 -4.413 -4.512 -4.635 1.00 0.00 H new ATOM 0 HB2 SER A 106 -4.845 -4.528 -2.328 1.00 0.00 H new ATOM 0 HB3 SER A 106 -3.294 -3.821 -1.920 1.00 0.00 H new ATOM 0 HG SER A 106 -5.035 -2.305 -1.700 1.00 0.00 H new ATOM 324 N GLN A 107 -2.024 -2.267 -4.136 1.00 0.00 N ATOM 325 CA GLN A 107 -1.429 -1.052 -4.681 1.00 0.00 C ATOM 326 C GLN A 107 -1.015 -1.253 -6.135 1.00 0.00 C ATOM 327 O GLN A 107 -1.226 -0.380 -6.976 1.00 0.00 O ATOM 328 CB GLN A 107 -0.218 -0.633 -3.847 1.00 0.00 C ATOM 329 CG GLN A 107 0.522 0.570 -4.409 1.00 0.00 C ATOM 330 CD GLN A 107 1.816 0.855 -3.674 1.00 0.00 C ATOM 331 OE1 GLN A 107 1.820 1.074 -2.462 1.00 0.00 O ATOM 332 NE2 GLN A 107 2.925 0.855 -4.405 1.00 0.00 N ATOM 0 H GLN A 107 -1.568 -2.619 -3.294 1.00 0.00 H new ATOM 0 HA GLN A 107 -2.179 -0.262 -4.642 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.547 -0.405 -2.833 1.00 0.00 H new ATOM 0 HB3 GLN A 107 0.473 -1.473 -3.777 1.00 0.00 H new ATOM 0 HG2 GLN A 107 0.738 0.399 -5.464 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -0.123 1.447 -4.354 1.00 0.00 H new ATOM 0 HE21 GLN A 107 2.876 0.669 -5.407 1.00 0.00 H new ATOM 0 HE22 GLN A 107 3.826 1.041 -3.965 1.00 0.00 H new ATOM 341 N GLN A 108 -0.425 -2.409 -6.422 1.00 0.00 N ATOM 342 CA GLN A 108 0.019 -2.723 -7.775 1.00 0.00 C ATOM 343 C GLN A 108 -1.150 -2.690 -8.754 1.00 0.00 C ATOM 344 O GLN A 108 -0.972 -2.404 -9.938 1.00 0.00 O ATOM 345 CB GLN A 108 0.689 -4.099 -7.808 1.00 0.00 C ATOM 346 CG GLN A 108 2.049 -4.129 -7.131 1.00 0.00 C ATOM 347 CD GLN A 108 3.053 -4.986 -7.878 1.00 0.00 C ATOM 348 OE1 GLN A 108 3.462 -4.655 -8.991 1.00 0.00 O ATOM 349 NE2 GLN A 108 3.457 -6.094 -7.267 1.00 0.00 N ATOM 0 H GLN A 108 -0.244 -3.143 -5.737 1.00 0.00 H new ATOM 0 HA GLN A 108 0.743 -1.966 -8.077 1.00 0.00 H new ATOM 0 HB2 GLN A 108 0.035 -4.824 -7.324 1.00 0.00 H new ATOM 0 HB3 GLN A 108 0.802 -4.414 -8.845 1.00 0.00 H new ATOM 0 HG2 GLN A 108 2.433 -3.112 -7.051 1.00 0.00 H new ATOM 0 HG3 GLN A 108 1.937 -4.509 -6.115 1.00 0.00 H new ATOM 0 HE21 GLN A 108 3.092 -6.330 -6.344 1.00 0.00 H new ATOM 0 HE22 GLN A 108 4.133 -6.709 -7.720 1.00 0.00 H new ATOM 358 N ASP A 109 -2.343 -2.986 -8.252 1.00 0.00 N ATOM 359 CA ASP A 109 -3.543 -2.989 -9.082 1.00 0.00 C ATOM 360 C ASP A 109 -3.945 -1.567 -9.461 1.00 0.00 C ATOM 361 O ASP A 109 -4.477 -1.330 -10.545 1.00 0.00 O ATOM 362 CB ASP A 109 -4.693 -3.680 -8.350 1.00 0.00 C ATOM 363 CG ASP A 109 -5.130 -4.960 -9.035 1.00 0.00 C ATOM 364 OD1 ASP A 109 -5.824 -4.872 -10.069 1.00 0.00 O ATOM 365 OD2 ASP A 109 -4.779 -6.050 -8.537 1.00 0.00 O ATOM 0 H ASP A 109 -2.506 -3.227 -7.274 1.00 0.00 H new ATOM 0 HA ASP A 109 -3.322 -3.540 -9.996 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -4.387 -3.905 -7.328 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -5.541 -2.998 -8.286 1.00 0.00 H new ATOM 370 N ASP A 110 -3.688 -0.626 -8.560 1.00 0.00 N ATOM 371 CA ASP A 110 -4.024 0.773 -8.799 1.00 0.00 C ATOM 372 C ASP A 110 -3.103 1.381 -9.852 1.00 0.00 C ATOM 373 O ASP A 110 -3.511 2.255 -10.618 1.00 0.00 O ATOM 374 CB ASP A 110 -3.929 1.573 -7.498 1.00 0.00 C ATOM 375 CG ASP A 110 -4.299 3.031 -7.687 1.00 0.00 C ATOM 376 OD1 ASP A 110 -5.030 3.337 -8.651 1.00 0.00 O ATOM 377 OD2 ASP A 110 -3.857 3.865 -6.870 1.00 0.00 O ATOM 0 H ASP A 110 -3.248 -0.806 -7.657 1.00 0.00 H new ATOM 0 HA ASP A 110 -5.048 0.816 -9.169 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -4.587 1.128 -6.752 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.914 1.506 -7.107 1.00 0.00 H new ATOM 382 N ILE A 111 -1.859 0.913 -9.884 1.00 0.00 N ATOM 383 CA ILE A 111 -0.881 1.411 -10.843 1.00 0.00 C ATOM 384 C ILE A 111 -0.714 0.443 -12.010 1.00 0.00 C ATOM 385 O ILE A 111 0.404 0.148 -12.429 1.00 0.00 O ATOM 386 CB ILE A 111 0.491 1.639 -10.181 1.00 0.00 C ATOM 387 CG1 ILE A 111 0.982 0.351 -9.518 1.00 0.00 C ATOM 388 CG2 ILE A 111 0.406 2.766 -9.162 1.00 0.00 C ATOM 389 CD1 ILE A 111 2.474 0.135 -9.650 1.00 0.00 C ATOM 0 H ILE A 111 -1.505 0.190 -9.257 1.00 0.00 H new ATOM 0 HA ILE A 111 -1.260 2.363 -11.214 1.00 0.00 H new ATOM 0 HB ILE A 111 1.207 1.925 -10.952 1.00 0.00 H new ATOM 0 HG12 ILE A 111 0.718 0.373 -8.461 1.00 0.00 H new ATOM 0 HG13 ILE A 111 0.460 -0.498 -9.960 1.00 0.00 H new ATOM 0 HG21 ILE A 111 1.383 2.915 -8.702 1.00 0.00 H new ATOM 0 HG22 ILE A 111 0.095 3.684 -9.660 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -0.321 2.507 -8.392 1.00 0.00 H new ATOM 0 HD11 ILE A 111 2.752 -0.797 -9.157 1.00 0.00 H new ATOM 0 HD12 ILE A 111 2.742 0.081 -10.705 1.00 0.00 H new ATOM 0 HD13 ILE A 111 3.004 0.965 -9.183 1.00 0.00 H new ATOM 401 N ASP A 112 -1.834 -0.045 -12.531 1.00 0.00 N ATOM 402 CA ASP A 112 -1.814 -0.976 -13.652 1.00 0.00 C ATOM 403 C ASP A 112 -1.836 -0.228 -14.982 1.00 0.00 C ATOM 404 O ASP A 112 -1.293 -0.700 -15.981 1.00 0.00 O ATOM 405 CB ASP A 112 -3.006 -1.931 -13.572 1.00 0.00 C ATOM 406 CG ASP A 112 -3.064 -2.886 -14.749 1.00 0.00 C ATOM 407 OD1 ASP A 112 -2.111 -3.673 -14.922 1.00 0.00 O ATOM 408 OD2 ASP A 112 -4.063 -2.844 -15.498 1.00 0.00 O ATOM 0 H ASP A 112 -2.768 0.189 -12.194 1.00 0.00 H new ATOM 0 HA ASP A 112 -0.891 -1.553 -13.595 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -2.948 -2.503 -12.646 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -3.929 -1.353 -13.531 1.00 0.00 H new ATOM 413 N PHE A 113 -2.467 0.942 -14.986 1.00 0.00 N ATOM 414 CA PHE A 113 -2.561 1.755 -16.193 1.00 0.00 C ATOM 415 C PHE A 113 -1.180 1.993 -16.797 1.00 0.00 C ATOM 416 O PHE A 113 -0.929 1.653 -17.954 1.00 0.00 O ATOM 417 CB PHE A 113 -3.231 3.094 -15.880 1.00 0.00 C ATOM 418 CG PHE A 113 -4.050 3.635 -17.017 1.00 0.00 C ATOM 419 CD1 PHE A 113 -5.239 3.025 -17.384 1.00 0.00 C ATOM 420 CD2 PHE A 113 -3.632 4.755 -17.718 1.00 0.00 C ATOM 421 CE1 PHE A 113 -5.993 3.520 -18.431 1.00 0.00 C ATOM 422 CE2 PHE A 113 -4.382 5.255 -18.765 1.00 0.00 C ATOM 423 CZ PHE A 113 -5.565 4.637 -19.121 1.00 0.00 C ATOM 0 H PHE A 113 -2.920 1.348 -14.167 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.168 1.214 -16.919 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -3.871 2.975 -15.006 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -2.464 3.822 -15.617 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -5.580 2.153 -16.846 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -2.709 5.243 -17.442 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -6.916 3.034 -18.709 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -4.044 6.128 -19.304 1.00 0.00 H new ATOM 0 HZ PHE A 113 -6.154 5.027 -19.938 1.00 0.00 H new ATOM 433 N LYS A 114 -0.289 2.580 -16.007 1.00 0.00 N ATOM 434 CA LYS A 114 1.068 2.865 -16.461 1.00 0.00 C ATOM 435 C LYS A 114 1.777 1.584 -16.890 1.00 0.00 C ATOM 436 O LYS A 114 2.581 1.592 -17.823 1.00 0.00 O ATOM 437 CB LYS A 114 1.865 3.555 -15.353 1.00 0.00 C ATOM 438 CG LYS A 114 1.505 5.020 -15.167 1.00 0.00 C ATOM 439 CD LYS A 114 2.746 5.880 -14.991 1.00 0.00 C ATOM 440 CE LYS A 114 3.254 6.404 -16.325 1.00 0.00 C ATOM 441 NZ LYS A 114 4.286 5.507 -16.916 1.00 0.00 N ATOM 0 H LYS A 114 -0.481 2.868 -15.048 1.00 0.00 H new ATOM 0 HA LYS A 114 1.004 3.531 -17.322 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.699 3.027 -14.414 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.928 3.477 -15.579 1.00 0.00 H new ATOM 0 HG2 LYS A 114 0.938 5.369 -16.030 1.00 0.00 H new ATOM 0 HG3 LYS A 114 0.859 5.129 -14.296 1.00 0.00 H new ATOM 0 HD2 LYS A 114 2.519 6.718 -14.332 1.00 0.00 H new ATOM 0 HD3 LYS A 114 3.529 5.297 -14.506 1.00 0.00 H new ATOM 0 HE2 LYS A 114 2.419 6.503 -17.018 1.00 0.00 H new ATOM 0 HE3 LYS A 114 3.674 7.400 -16.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 4.692 5.955 -17.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 5.039 5.337 -16.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 3.848 4.601 -17.180 1.00 0.00 H new ATOM 455 N ARG A 115 1.474 0.487 -16.205 1.00 0.00 N ATOM 456 CA ARG A 115 2.083 -0.800 -16.516 1.00 0.00 C ATOM 457 C ARG A 115 1.909 -1.142 -17.993 1.00 0.00 C ATOM 458 O ARG A 115 2.781 -1.757 -18.605 1.00 0.00 O ATOM 459 CB ARG A 115 1.468 -1.902 -15.650 1.00 0.00 C ATOM 460 CG ARG A 115 2.315 -3.162 -15.575 1.00 0.00 C ATOM 461 CD ARG A 115 3.147 -3.198 -14.303 1.00 0.00 C ATOM 462 NE ARG A 115 3.827 -4.479 -14.130 1.00 0.00 N ATOM 463 CZ ARG A 115 3.199 -5.610 -13.829 1.00 0.00 C ATOM 464 NH1 ARG A 115 1.883 -5.618 -13.668 1.00 0.00 N ATOM 465 NH2 ARG A 115 3.886 -6.735 -13.688 1.00 0.00 N ATOM 0 H ARG A 115 0.810 0.464 -15.431 1.00 0.00 H new ATOM 0 HA ARG A 115 3.149 -0.730 -16.301 1.00 0.00 H new ATOM 0 HB2 ARG A 115 1.315 -1.517 -14.642 1.00 0.00 H new ATOM 0 HB3 ARG A 115 0.485 -2.158 -16.046 1.00 0.00 H new ATOM 0 HG2 ARG A 115 1.669 -4.039 -15.614 1.00 0.00 H new ATOM 0 HG3 ARG A 115 2.973 -3.212 -16.443 1.00 0.00 H new ATOM 0 HD2 ARG A 115 3.885 -2.396 -14.330 1.00 0.00 H new ATOM 0 HD3 ARG A 115 2.504 -3.010 -13.443 1.00 0.00 H new ATOM 0 HE ARG A 115 4.840 -4.507 -14.247 1.00 0.00 H new ATOM 0 HH11 ARG A 115 1.351 -4.754 -13.775 1.00 0.00 H new ATOM 0 HH12 ARG A 115 1.403 -6.488 -13.437 1.00 0.00 H new ATOM 0 HH21 ARG A 115 4.899 -6.733 -13.811 1.00 0.00 H new ATOM 0 HH22 ARG A 115 3.402 -7.603 -13.457 1.00 0.00 H new ATOM 479 N ALA A 116 0.776 -0.739 -18.558 1.00 0.00 N ATOM 480 CA ALA A 116 0.488 -1.000 -19.963 1.00 0.00 C ATOM 481 C ALA A 116 1.179 0.017 -20.864 1.00 0.00 C ATOM 482 O ALA A 116 1.553 -0.295 -21.994 1.00 0.00 O ATOM 483 CB ALA A 116 -1.014 -0.987 -20.205 1.00 0.00 C ATOM 0 H ALA A 116 0.042 -0.230 -18.064 1.00 0.00 H new ATOM 0 HA ALA A 116 0.877 -1.988 -20.210 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -1.215 -1.183 -21.258 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -1.487 -1.757 -19.596 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -1.418 -0.011 -19.934 1.00 0.00 H new ATOM 489 N GLU A 117 1.345 1.235 -20.356 1.00 0.00 N ATOM 490 CA GLU A 117 1.990 2.298 -21.117 1.00 0.00 C ATOM 491 C GLU A 117 3.471 1.994 -21.328 1.00 0.00 C ATOM 492 O GLU A 117 4.080 2.457 -22.294 1.00 0.00 O ATOM 493 CB GLU A 117 1.831 3.639 -20.399 1.00 0.00 C ATOM 494 CG GLU A 117 2.214 4.836 -21.252 1.00 0.00 C ATOM 495 CD GLU A 117 1.215 5.972 -21.147 1.00 0.00 C ATOM 496 OE1 GLU A 117 0.930 6.406 -20.011 1.00 0.00 O ATOM 497 OE2 GLU A 117 0.718 6.426 -22.199 1.00 0.00 O ATOM 0 H GLU A 117 1.042 1.509 -19.421 1.00 0.00 H new ATOM 0 HA GLU A 117 1.506 2.357 -22.092 1.00 0.00 H new ATOM 0 HB2 GLU A 117 0.795 3.749 -20.078 1.00 0.00 H new ATOM 0 HB3 GLU A 117 2.445 3.634 -19.498 1.00 0.00 H new ATOM 0 HG2 GLU A 117 3.198 5.193 -20.948 1.00 0.00 H new ATOM 0 HG3 GLU A 117 2.295 4.524 -22.293 1.00 0.00 H new ATOM 504 N LEU A 118 4.044 1.215 -20.418 1.00 0.00 N ATOM 505 CA LEU A 118 5.453 0.849 -20.502 1.00 0.00 C ATOM 506 C LEU A 118 5.649 -0.360 -21.411 1.00 0.00 C ATOM 507 O LEU A 118 6.676 -0.488 -22.078 1.00 0.00 O ATOM 508 CB LEU A 118 6.007 0.548 -19.108 1.00 0.00 C ATOM 509 CG LEU A 118 6.958 1.593 -18.523 1.00 0.00 C ATOM 510 CD1 LEU A 118 6.241 2.922 -18.338 1.00 0.00 C ATOM 511 CD2 LEU A 118 7.535 1.107 -17.201 1.00 0.00 C ATOM 0 H LEU A 118 3.554 0.824 -19.613 1.00 0.00 H new ATOM 0 HA LEU A 118 5.996 1.693 -20.928 1.00 0.00 H new ATOM 0 HB2 LEU A 118 5.167 0.427 -18.424 1.00 0.00 H new ATOM 0 HB3 LEU A 118 6.529 -0.408 -19.145 1.00 0.00 H new ATOM 0 HG LEU A 118 7.780 1.742 -19.223 1.00 0.00 H new ATOM 0 HD11 LEU A 118 6.933 3.654 -17.921 1.00 0.00 H new ATOM 0 HD12 LEU A 118 5.876 3.276 -19.302 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.399 2.790 -17.658 1.00 0.00 H new ATOM 0 HD21 LEU A 118 8.210 1.863 -16.799 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.725 0.930 -16.494 1.00 0.00 H new ATOM 0 HD23 LEU A 118 8.084 0.180 -17.363 1.00 0.00 H new ATOM 523 N ALA A 119 4.656 -1.243 -21.435 1.00 0.00 N ATOM 524 CA ALA A 119 4.717 -2.439 -22.266 1.00 0.00 C ATOM 525 C ALA A 119 4.646 -2.083 -23.747 1.00 0.00 C ATOM 526 O ALA A 119 5.249 -2.751 -24.587 1.00 0.00 O ATOM 527 CB ALA A 119 3.593 -3.395 -21.897 1.00 0.00 C ATOM 0 H ALA A 119 3.800 -1.152 -20.888 1.00 0.00 H new ATOM 0 HA ALA A 119 5.673 -2.930 -22.083 1.00 0.00 H new ATOM 0 HB1 ALA A 119 3.650 -4.284 -22.525 1.00 0.00 H new ATOM 0 HB2 ALA A 119 3.690 -3.684 -20.850 1.00 0.00 H new ATOM 0 HB3 ALA A 119 2.632 -2.904 -22.051 1.00 0.00 H new ATOM 533 N LEU A 120 3.905 -1.026 -24.061 1.00 0.00 N ATOM 534 CA LEU A 120 3.754 -0.581 -25.442 1.00 0.00 C ATOM 535 C LEU A 120 4.730 0.547 -25.760 1.00 0.00 C ATOM 536 O LEU A 120 4.468 1.385 -26.625 1.00 0.00 O ATOM 537 CB LEU A 120 2.319 -0.117 -25.696 1.00 0.00 C ATOM 538 CG LEU A 120 1.616 -0.737 -26.904 1.00 0.00 C ATOM 539 CD1 LEU A 120 2.328 -0.353 -28.191 1.00 0.00 C ATOM 540 CD2 LEU A 120 1.546 -2.250 -26.761 1.00 0.00 C ATOM 0 H LEU A 120 3.400 -0.461 -23.378 1.00 0.00 H new ATOM 0 HA LEU A 120 3.977 -1.424 -26.096 1.00 0.00 H new ATOM 0 HB2 LEU A 120 1.726 -0.332 -24.807 1.00 0.00 H new ATOM 0 HB3 LEU A 120 2.325 0.966 -25.821 1.00 0.00 H new ATOM 0 HG LEU A 120 0.598 -0.349 -26.947 1.00 0.00 H new ATOM 0 HD11 LEU A 120 1.813 -0.803 -29.040 1.00 0.00 H new ATOM 0 HD12 LEU A 120 2.325 0.732 -28.299 1.00 0.00 H new ATOM 0 HD13 LEU A 120 3.357 -0.712 -28.159 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.043 -2.675 -27.630 1.00 0.00 H new ATOM 0 HD22 LEU A 120 2.555 -2.656 -26.692 1.00 0.00 H new ATOM 0 HD23 LEU A 120 0.990 -2.505 -25.859 1.00 0.00 H new ATOM 552 N LYS A 121 5.857 0.564 -25.057 1.00 0.00 N ATOM 553 CA LYS A 121 6.874 1.587 -25.266 1.00 0.00 C ATOM 554 C LYS A 121 7.317 1.625 -26.725 1.00 0.00 C ATOM 555 O LYS A 121 6.904 0.791 -27.530 1.00 0.00 O ATOM 556 CB LYS A 121 8.082 1.326 -24.363 1.00 0.00 C ATOM 557 CG LYS A 121 8.848 0.065 -24.721 1.00 0.00 C ATOM 558 CD LYS A 121 9.803 -0.342 -23.612 1.00 0.00 C ATOM 559 CE LYS A 121 9.410 -1.678 -23.001 1.00 0.00 C ATOM 560 NZ LYS A 121 9.738 -1.742 -21.549 1.00 0.00 N ATOM 0 H LYS A 121 6.089 -0.120 -24.337 1.00 0.00 H new ATOM 0 HA LYS A 121 6.439 2.553 -25.011 1.00 0.00 H new ATOM 0 HB2 LYS A 121 8.758 2.180 -24.419 1.00 0.00 H new ATOM 0 HB3 LYS A 121 7.744 1.254 -23.329 1.00 0.00 H new ATOM 0 HG2 LYS A 121 8.146 -0.746 -24.913 1.00 0.00 H new ATOM 0 HG3 LYS A 121 9.407 0.227 -25.642 1.00 0.00 H new ATOM 0 HD2 LYS A 121 10.816 -0.406 -24.008 1.00 0.00 H new ATOM 0 HD3 LYS A 121 9.811 0.425 -22.838 1.00 0.00 H new ATOM 0 HE2 LYS A 121 8.341 -1.840 -23.139 1.00 0.00 H new ATOM 0 HE3 LYS A 121 9.925 -2.483 -23.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 9.455 -2.668 -21.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 10.762 -1.613 -21.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 9.227 -0.990 -21.044 1.00 0.00 H new ATOM 574 N ARG A 122 8.158 2.598 -27.059 1.00 0.00 N ATOM 575 CA ARG A 122 8.655 2.745 -28.421 1.00 0.00 C ATOM 576 C ARG A 122 10.169 2.558 -28.470 1.00 0.00 C ATOM 577 O ARG A 122 10.813 2.892 -29.463 1.00 0.00 O ATOM 578 CB ARG A 122 8.284 4.120 -28.978 1.00 0.00 C ATOM 579 CG ARG A 122 8.985 5.272 -28.276 1.00 0.00 C ATOM 580 CD ARG A 122 8.161 6.548 -28.340 1.00 0.00 C ATOM 581 NE ARG A 122 8.628 7.549 -27.384 1.00 0.00 N ATOM 582 CZ ARG A 122 7.913 8.608 -27.021 1.00 0.00 C ATOM 583 NH1 ARG A 122 6.704 8.802 -27.530 1.00 0.00 N ATOM 584 NH2 ARG A 122 8.406 9.475 -26.146 1.00 0.00 N ATOM 0 H ARG A 122 8.510 3.297 -26.404 1.00 0.00 H new ATOM 0 HA ARG A 122 8.189 1.974 -29.035 1.00 0.00 H new ATOM 0 HB2 ARG A 122 8.528 4.150 -30.040 1.00 0.00 H new ATOM 0 HB3 ARG A 122 7.206 4.257 -28.895 1.00 0.00 H new ATOM 0 HG2 ARG A 122 9.168 5.008 -27.234 1.00 0.00 H new ATOM 0 HG3 ARG A 122 9.958 5.442 -28.737 1.00 0.00 H new ATOM 0 HD2 ARG A 122 8.208 6.960 -29.348 1.00 0.00 H new ATOM 0 HD3 ARG A 122 7.115 6.315 -28.139 1.00 0.00 H new ATOM 0 HE ARG A 122 9.554 7.428 -26.973 1.00 0.00 H new ATOM 0 HH11 ARG A 122 6.321 8.137 -28.202 1.00 0.00 H new ATOM 0 HH12 ARG A 122 6.157 9.616 -27.249 1.00 0.00 H new ATOM 0 HH21 ARG A 122 9.335 9.329 -25.751 1.00 0.00 H new ATOM 0 HH22 ARG A 122 7.856 10.288 -25.868 1.00 0.00 H new ATOM 598 N ALA A 123 10.728 2.022 -27.390 1.00 0.00 N ATOM 599 CA ALA A 123 12.165 1.788 -27.310 1.00 0.00 C ATOM 600 C ALA A 123 12.572 0.580 -28.147 1.00 0.00 C ATOM 601 O ALA A 123 13.615 0.589 -28.800 1.00 0.00 O ATOM 602 CB ALA A 123 12.589 1.596 -25.862 1.00 0.00 C ATOM 0 H ALA A 123 10.208 1.742 -26.559 1.00 0.00 H new ATOM 0 HA ALA A 123 12.673 2.664 -27.713 1.00 0.00 H new ATOM 0 HB1 ALA A 123 13.664 1.422 -25.818 1.00 0.00 H new ATOM 0 HB2 ALA A 123 12.342 2.490 -25.289 1.00 0.00 H new ATOM 0 HB3 ALA A 123 12.065 0.738 -25.440 1.00 0.00 H new ATOM 608 N MET A 124 11.743 -0.458 -28.122 1.00 0.00 N ATOM 609 CA MET A 124 12.017 -1.674 -28.880 1.00 0.00 C ATOM 610 C MET A 124 11.739 -1.463 -30.365 1.00 0.00 C ATOM 611 O MET A 124 12.396 -2.057 -31.219 1.00 0.00 O ATOM 612 CB MET A 124 11.170 -2.833 -28.350 1.00 0.00 C ATOM 613 CG MET A 124 11.206 -2.969 -26.837 1.00 0.00 C ATOM 614 SD MET A 124 10.739 -4.618 -26.276 1.00 0.00 S ATOM 615 CE MET A 124 8.990 -4.390 -25.971 1.00 0.00 C ATOM 0 H MET A 124 10.876 -0.482 -27.585 1.00 0.00 H new ATOM 0 HA MET A 124 13.072 -1.919 -28.757 1.00 0.00 H new ATOM 0 HB2 MET A 124 10.137 -2.693 -28.670 1.00 0.00 H new ATOM 0 HB3 MET A 124 11.520 -3.763 -28.799 1.00 0.00 H new ATOM 0 HG2 MET A 124 12.209 -2.738 -26.479 1.00 0.00 H new ATOM 0 HG3 MET A 124 10.533 -2.235 -26.394 1.00 0.00 H new ATOM 0 HE1 MET A 124 8.484 -5.354 -26.019 1.00 0.00 H new ATOM 0 HE2 MET A 124 8.847 -3.954 -24.982 1.00 0.00 H new ATOM 0 HE3 MET A 124 8.573 -3.723 -26.725 1.00 0.00 H new ATOM 625 N ASN A 125 10.761 -0.614 -30.665 1.00 0.00 N ATOM 626 CA ASN A 125 10.397 -0.327 -32.048 1.00 0.00 C ATOM 627 C ASN A 125 11.535 0.384 -32.774 1.00 0.00 C ATOM 628 O ASN A 125 11.906 0.007 -33.885 1.00 0.00 O ATOM 629 CB ASN A 125 9.132 0.532 -32.095 1.00 0.00 C ATOM 630 CG ASN A 125 8.072 -0.048 -33.012 1.00 0.00 C ATOM 631 OD1 ASN A 125 8.388 -0.704 -34.005 1.00 0.00 O ATOM 632 ND2 ASN A 125 6.809 0.192 -32.683 1.00 0.00 N ATOM 0 H ASN A 125 10.207 -0.113 -29.970 1.00 0.00 H new ATOM 0 HA ASN A 125 10.205 -1.274 -32.552 1.00 0.00 H new ATOM 0 HB2 ASN A 125 8.724 0.629 -31.089 1.00 0.00 H new ATOM 0 HB3 ASN A 125 9.390 1.536 -32.432 1.00 0.00 H new ATOM 0 HD21 ASN A 125 6.053 -0.173 -33.263 1.00 0.00 H new ATOM 0 HD22 ASN A 125 6.594 0.741 -31.851 1.00 0.00 H new ATOM 639 N ARG A 126 12.084 1.413 -32.137 1.00 0.00 N ATOM 640 CA ARG A 126 13.180 2.177 -32.722 1.00 0.00 C ATOM 641 C ARG A 126 14.328 1.257 -33.128 1.00 0.00 C ATOM 642 O ARG A 126 14.951 1.448 -34.173 1.00 0.00 O ATOM 643 CB ARG A 126 13.681 3.230 -31.733 1.00 0.00 C ATOM 644 CG ARG A 126 14.789 4.109 -32.289 1.00 0.00 C ATOM 645 CD ARG A 126 15.808 4.466 -31.218 1.00 0.00 C ATOM 646 NE ARG A 126 15.447 5.689 -30.506 1.00 0.00 N ATOM 647 CZ ARG A 126 15.649 6.910 -30.991 1.00 0.00 C ATOM 648 NH1 ARG A 126 16.205 7.068 -32.185 1.00 0.00 N ATOM 649 NH2 ARG A 126 15.294 7.974 -30.283 1.00 0.00 N ATOM 0 H ARG A 126 11.788 1.737 -31.216 1.00 0.00 H new ATOM 0 HA ARG A 126 12.805 2.677 -33.615 1.00 0.00 H new ATOM 0 HB2 ARG A 126 12.845 3.861 -31.432 1.00 0.00 H new ATOM 0 HB3 ARG A 126 14.042 2.730 -30.834 1.00 0.00 H new ATOM 0 HG2 ARG A 126 15.288 3.592 -33.109 1.00 0.00 H new ATOM 0 HG3 ARG A 126 14.359 5.021 -32.702 1.00 0.00 H new ATOM 0 HD2 ARG A 126 15.890 3.644 -30.507 1.00 0.00 H new ATOM 0 HD3 ARG A 126 16.789 4.590 -31.677 1.00 0.00 H new ATOM 0 HE ARG A 126 15.016 5.601 -29.586 1.00 0.00 H new ATOM 0 HH11 ARG A 126 16.478 6.252 -32.732 1.00 0.00 H new ATOM 0 HH12 ARG A 126 16.359 8.006 -32.556 1.00 0.00 H new ATOM 0 HH21 ARG A 126 14.865 7.856 -29.365 1.00 0.00 H new ATOM 0 HH22 ARG A 126 15.450 8.910 -30.657 1.00 0.00 H new ATOM 663 N LEU A 127 14.603 0.260 -32.295 1.00 0.00 N ATOM 664 CA LEU A 127 15.677 -0.690 -32.566 1.00 0.00 C ATOM 665 C LEU A 127 15.186 -1.828 -33.456 1.00 0.00 C ATOM 666 O LEU A 127 15.439 -1.840 -34.660 1.00 0.00 O ATOM 667 CB LEU A 127 16.228 -1.255 -31.255 1.00 0.00 C ATOM 668 CG LEU A 127 17.706 -0.980 -30.975 1.00 0.00 C ATOM 669 CD1 LEU A 127 17.967 -0.938 -29.477 1.00 0.00 C ATOM 670 CD2 LEU A 127 18.580 -2.032 -31.642 1.00 0.00 C ATOM 0 H LEU A 127 14.097 0.088 -31.426 1.00 0.00 H new ATOM 0 HA LEU A 127 16.473 -0.161 -33.090 1.00 0.00 H new ATOM 0 HB2 LEU A 127 15.641 -0.848 -30.432 1.00 0.00 H new ATOM 0 HB3 LEU A 127 16.073 -2.334 -31.254 1.00 0.00 H new ATOM 0 HG LEU A 127 17.961 -0.007 -31.394 1.00 0.00 H new ATOM 0 HD11 LEU A 127 19.024 -0.741 -29.297 1.00 0.00 H new ATOM 0 HD12 LEU A 127 17.369 -0.147 -29.025 1.00 0.00 H new ATOM 0 HD13 LEU A 127 17.696 -1.896 -29.033 1.00 0.00 H new ATOM 0 HD21 LEU A 127 19.628 -1.820 -31.432 1.00 0.00 H new ATOM 0 HD22 LEU A 127 18.324 -3.018 -31.253 1.00 0.00 H new ATOM 0 HD23 LEU A 127 18.415 -2.013 -32.719 1.00 0.00 H new TER 682 LEU A 127