USER MOD reduce.3.24.130724 H: found=0, std=0, add=350, rem=0, adj=1 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= -0.0666 K(o=-0.067,f=-1.2!) USER MOD Single : A 106 SER OG : rot 87:sc= 0.0635 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 108 GLN : amide:sc= -0.0422 K(o=-0.042,f=-0.81) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 88 -18.220 -27.792 1.868 1.00 0.00 N ATOM 2 CA ILE A 88 -18.472 -26.371 2.066 1.00 0.00 C ATOM 3 C ILE A 88 -17.406 -25.741 2.956 1.00 0.00 C ATOM 4 O ILE A 88 -17.002 -24.598 2.744 1.00 0.00 O ATOM 5 CB ILE A 88 -19.858 -26.128 2.693 1.00 0.00 C ATOM 6 CG1 ILE A 88 -20.059 -27.036 3.908 1.00 0.00 C ATOM 7 CG2 ILE A 88 -20.954 -26.360 1.664 1.00 0.00 C ATOM 8 CD1 ILE A 88 -21.395 -26.846 4.591 1.00 0.00 C ATOM 0 HA ILE A 88 -18.440 -25.905 1.081 1.00 0.00 H new ATOM 0 HB ILE A 88 -19.913 -25.091 3.025 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -19.966 -28.076 3.594 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -19.262 -26.848 4.628 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -21.927 -26.184 2.123 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -20.818 -25.675 0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -20.903 -27.387 1.304 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -21.467 -27.522 5.443 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -21.484 -25.816 4.936 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -22.198 -27.063 3.886 1.00 0.00 H new ATOM 20 N ASP A 89 -16.955 -26.494 3.951 1.00 0.00 N ATOM 21 CA ASP A 89 -15.933 -26.012 4.873 1.00 0.00 C ATOM 22 C ASP A 89 -14.597 -25.833 4.157 1.00 0.00 C ATOM 23 O ASP A 89 -13.944 -24.798 4.290 1.00 0.00 O ATOM 24 CB ASP A 89 -15.772 -26.983 6.044 1.00 0.00 C ATOM 25 CG ASP A 89 -15.246 -26.302 7.292 1.00 0.00 C ATOM 26 OD1 ASP A 89 -15.213 -25.054 7.317 1.00 0.00 O ATOM 27 OD2 ASP A 89 -14.866 -27.017 8.243 1.00 0.00 O ATOM 0 H ASP A 89 -17.281 -27.442 4.141 1.00 0.00 H new ATOM 0 HA ASP A 89 -16.253 -25.043 5.257 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -16.734 -27.445 6.264 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -15.092 -27.785 5.757 1.00 0.00 H new ATOM 32 N VAL A 90 -14.196 -26.850 3.400 1.00 0.00 N ATOM 33 CA VAL A 90 -12.939 -26.805 2.664 1.00 0.00 C ATOM 34 C VAL A 90 -12.958 -25.705 1.608 1.00 0.00 C ATOM 35 O VAL A 90 -11.931 -25.093 1.314 1.00 0.00 O ATOM 36 CB VAL A 90 -12.640 -28.153 1.980 1.00 0.00 C ATOM 37 CG1 VAL A 90 -12.481 -29.254 3.017 1.00 0.00 C ATOM 38 CG2 VAL A 90 -13.739 -28.499 0.986 1.00 0.00 C ATOM 0 H VAL A 90 -14.724 -27.715 3.281 1.00 0.00 H new ATOM 0 HA VAL A 90 -12.155 -26.593 3.391 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.701 -28.064 1.433 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.270 -30.199 2.515 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -11.657 -29.007 3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -13.402 -29.347 3.593 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -13.513 -29.454 0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -14.693 -28.570 1.509 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -13.799 -27.721 0.225 1.00 0.00 H new ATOM 48 N LEU A 91 -14.134 -25.457 1.042 1.00 0.00 N ATOM 49 CA LEU A 91 -14.288 -24.431 0.019 1.00 0.00 C ATOM 50 C LEU A 91 -14.020 -23.044 0.594 1.00 0.00 C ATOM 51 O LEU A 91 -13.440 -22.186 -0.072 1.00 0.00 O ATOM 52 CB LEU A 91 -15.697 -24.484 -0.577 1.00 0.00 C ATOM 53 CG LEU A 91 -15.783 -24.419 -2.102 1.00 0.00 C ATOM 54 CD1 LEU A 91 -16.360 -25.711 -2.660 1.00 0.00 C ATOM 55 CD2 LEU A 91 -16.623 -23.227 -2.538 1.00 0.00 C ATOM 0 H LEU A 91 -14.994 -25.953 1.275 1.00 0.00 H new ATOM 0 HA LEU A 91 -13.559 -24.626 -0.768 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -16.176 -25.405 -0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -16.276 -23.657 -0.165 1.00 0.00 H new ATOM 0 HG LEU A 91 -14.775 -24.294 -2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -16.414 -25.646 -3.747 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -15.720 -26.547 -2.378 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -17.360 -25.867 -2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -16.674 -23.196 -3.626 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -17.629 -23.323 -2.131 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -16.168 -22.307 -2.170 1.00 0.00 H new ATOM 67 N ARG A 92 -14.443 -22.832 1.836 1.00 0.00 N ATOM 68 CA ARG A 92 -14.248 -21.550 2.501 1.00 0.00 C ATOM 69 C ARG A 92 -12.762 -21.253 2.684 1.00 0.00 C ATOM 70 O ARG A 92 -12.319 -20.118 2.513 1.00 0.00 O ATOM 71 CB ARG A 92 -14.950 -21.544 3.860 1.00 0.00 C ATOM 72 CG ARG A 92 -15.807 -20.310 4.097 1.00 0.00 C ATOM 73 CD ARG A 92 -16.229 -20.198 5.554 1.00 0.00 C ATOM 74 NE ARG A 92 -17.638 -20.535 5.743 1.00 0.00 N ATOM 75 CZ ARG A 92 -18.639 -19.790 5.289 1.00 0.00 C ATOM 76 NH1 ARG A 92 -18.388 -18.671 4.622 1.00 0.00 N ATOM 77 NH2 ARG A 92 -19.895 -20.162 5.500 1.00 0.00 N ATOM 0 H ARG A 92 -14.923 -23.532 2.402 1.00 0.00 H new ATOM 0 HA ARG A 92 -14.682 -20.773 1.872 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -15.577 -22.432 3.940 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.200 -21.612 4.648 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -15.251 -19.418 3.808 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -16.692 -20.353 3.463 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -15.613 -20.861 6.162 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -16.049 -19.183 5.907 1.00 0.00 H new ATOM 0 HE ARG A 92 -17.865 -21.389 6.252 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -17.424 -18.381 4.457 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -19.159 -18.101 4.274 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -20.093 -21.022 6.012 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -20.662 -19.588 5.150 1.00 0.00 H new ATOM 91 N ALA A 93 -11.997 -22.283 3.033 1.00 0.00 N ATOM 92 CA ALA A 93 -10.561 -22.133 3.238 1.00 0.00 C ATOM 93 C ALA A 93 -9.880 -21.604 1.980 1.00 0.00 C ATOM 94 O ALA A 93 -9.000 -20.746 2.052 1.00 0.00 O ATOM 95 CB ALA A 93 -9.947 -23.460 3.654 1.00 0.00 C ATOM 0 H ALA A 93 -12.348 -23.230 3.180 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.406 -21.407 4.036 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.875 -23.334 3.804 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.406 -23.798 4.583 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.120 -24.201 2.874 1.00 0.00 H new ATOM 101 N LYS A 94 -10.292 -22.121 0.827 1.00 0.00 N ATOM 102 CA LYS A 94 -9.722 -21.701 -0.447 1.00 0.00 C ATOM 103 C LYS A 94 -10.072 -20.248 -0.747 1.00 0.00 C ATOM 104 O LYS A 94 -9.287 -19.523 -1.358 1.00 0.00 O ATOM 105 CB LYS A 94 -10.228 -22.602 -1.577 1.00 0.00 C ATOM 106 CG LYS A 94 -9.690 -22.221 -2.945 1.00 0.00 C ATOM 107 CD LYS A 94 -10.093 -23.234 -4.004 1.00 0.00 C ATOM 108 CE LYS A 94 -11.605 -23.313 -4.153 1.00 0.00 C ATOM 109 NZ LYS A 94 -12.005 -24.179 -5.297 1.00 0.00 N ATOM 0 H LYS A 94 -11.019 -22.832 0.749 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.638 -21.788 -0.378 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.949 -23.633 -1.361 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.317 -22.564 -1.601 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.063 -21.235 -3.222 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.603 -22.150 -2.903 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -9.646 -22.960 -4.960 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.701 -24.216 -3.738 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.041 -23.702 -3.233 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -12.009 -22.311 -4.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.042 -24.207 -5.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.610 -23.794 -6.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.642 -25.142 -5.147 1.00 0.00 H new ATOM 123 N ALA A 95 -11.255 -19.826 -0.312 1.00 0.00 N ATOM 124 CA ALA A 95 -11.707 -18.458 -0.530 1.00 0.00 C ATOM 125 C ALA A 95 -10.903 -17.473 0.312 1.00 0.00 C ATOM 126 O ALA A 95 -10.674 -16.335 -0.097 1.00 0.00 O ATOM 127 CB ALA A 95 -13.191 -18.335 -0.216 1.00 0.00 C ATOM 0 H ALA A 95 -11.918 -20.413 0.194 1.00 0.00 H new ATOM 0 HA ALA A 95 -11.548 -18.213 -1.580 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -13.514 -17.308 -0.383 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.757 -19.004 -0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -13.366 -18.605 0.825 1.00 0.00 H new ATOM 133 N ALA A 96 -10.478 -17.918 1.490 1.00 0.00 N ATOM 134 CA ALA A 96 -9.699 -17.076 2.389 1.00 0.00 C ATOM 135 C ALA A 96 -8.313 -16.797 1.816 1.00 0.00 C ATOM 136 O ALA A 96 -7.807 -15.678 1.905 1.00 0.00 O ATOM 137 CB ALA A 96 -9.584 -17.730 3.758 1.00 0.00 C ATOM 0 H ALA A 96 -10.660 -18.857 1.844 1.00 0.00 H new ATOM 0 HA ALA A 96 -10.218 -16.124 2.496 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.000 -17.090 4.419 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -10.580 -17.873 4.178 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -9.090 -18.697 3.659 1.00 0.00 H new ATOM 143 N LYS A 97 -7.703 -17.821 1.229 1.00 0.00 N ATOM 144 CA LYS A 97 -6.376 -17.687 0.641 1.00 0.00 C ATOM 145 C LYS A 97 -6.377 -16.644 -0.471 1.00 0.00 C ATOM 146 O LYS A 97 -5.391 -15.934 -0.670 1.00 0.00 O ATOM 147 CB LYS A 97 -5.901 -19.034 0.091 1.00 0.00 C ATOM 148 CG LYS A 97 -5.516 -20.029 1.171 1.00 0.00 C ATOM 149 CD LYS A 97 -4.350 -20.901 0.735 1.00 0.00 C ATOM 150 CE LYS A 97 -3.016 -20.211 0.979 1.00 0.00 C ATOM 151 NZ LYS A 97 -2.037 -21.115 1.643 1.00 0.00 N ATOM 0 H LYS A 97 -8.107 -18.754 1.148 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.691 -17.359 1.423 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.691 -19.465 -0.524 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.044 -18.869 -0.562 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -5.250 -19.494 2.082 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -6.373 -20.659 1.410 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.377 -21.845 1.279 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.449 -21.140 -0.324 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.606 -19.867 0.029 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.172 -19.327 1.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.141 -20.608 1.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.417 -21.424 2.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.868 -21.946 1.041 1.00 0.00 H new ATOM 165 N GLU A 98 -7.490 -16.555 -1.193 1.00 0.00 N ATOM 166 CA GLU A 98 -7.618 -15.597 -2.285 1.00 0.00 C ATOM 167 C GLU A 98 -7.739 -14.173 -1.748 1.00 0.00 C ATOM 168 O GLU A 98 -7.162 -13.239 -2.304 1.00 0.00 O ATOM 169 CB GLU A 98 -8.835 -15.933 -3.148 1.00 0.00 C ATOM 170 CG GLU A 98 -8.535 -15.963 -4.638 1.00 0.00 C ATOM 171 CD GLU A 98 -9.205 -17.124 -5.345 1.00 0.00 C ATOM 172 OE1 GLU A 98 -10.282 -17.558 -4.884 1.00 0.00 O ATOM 173 OE2 GLU A 98 -8.653 -17.601 -6.358 1.00 0.00 O ATOM 0 H GLU A 98 -8.316 -17.135 -1.041 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.719 -15.661 -2.898 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -9.228 -16.904 -2.845 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.618 -15.199 -2.958 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.865 -15.028 -5.090 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.457 -16.025 -4.786 1.00 0.00 H new ATOM 180 N ARG A 99 -8.493 -14.018 -0.665 1.00 0.00 N ATOM 181 CA ARG A 99 -8.691 -12.709 -0.054 1.00 0.00 C ATOM 182 C ARG A 99 -7.384 -12.176 0.525 1.00 0.00 C ATOM 183 O ARG A 99 -7.156 -10.967 0.557 1.00 0.00 O ATOM 184 CB ARG A 99 -9.752 -12.792 1.045 1.00 0.00 C ATOM 185 CG ARG A 99 -10.764 -11.659 1.001 1.00 0.00 C ATOM 186 CD ARG A 99 -10.241 -10.417 1.705 1.00 0.00 C ATOM 187 NE ARG A 99 -9.814 -9.389 0.759 1.00 0.00 N ATOM 188 CZ ARG A 99 -9.367 -8.193 1.125 1.00 0.00 C ATOM 189 NH1 ARG A 99 -9.290 -7.875 2.410 1.00 0.00 N ATOM 190 NH2 ARG A 99 -8.996 -7.313 0.205 1.00 0.00 N ATOM 0 H ARG A 99 -8.977 -14.782 -0.193 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.032 -12.022 -0.828 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.279 -13.742 0.958 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.258 -12.789 2.016 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.998 -11.419 -0.036 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -11.693 -11.981 1.471 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.019 -10.013 2.352 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -9.403 -10.690 2.346 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.862 -9.601 -0.238 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -9.574 -8.550 3.120 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -8.946 -6.956 2.688 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -9.054 -7.554 -0.784 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -8.653 -6.395 0.487 1.00 0.00 H new ATOM 204 N ALA A 100 -6.531 -13.086 0.983 1.00 0.00 N ATOM 205 CA ALA A 100 -5.247 -12.707 1.560 1.00 0.00 C ATOM 206 C ALA A 100 -4.323 -12.115 0.501 1.00 0.00 C ATOM 207 O ALA A 100 -3.837 -10.994 0.645 1.00 0.00 O ATOM 208 CB ALA A 100 -4.591 -13.908 2.223 1.00 0.00 C ATOM 0 H ALA A 100 -6.706 -14.091 0.966 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.428 -11.943 2.316 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.633 -13.610 2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.239 -14.286 3.014 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.430 -14.690 1.481 1.00 0.00 H new ATOM 214 N GLU A 101 -4.083 -12.877 -0.562 1.00 0.00 N ATOM 215 CA GLU A 101 -3.215 -12.427 -1.644 1.00 0.00 C ATOM 216 C GLU A 101 -3.756 -11.149 -2.279 1.00 0.00 C ATOM 217 O GLU A 101 -3.000 -10.354 -2.839 1.00 0.00 O ATOM 218 CB GLU A 101 -3.080 -13.519 -2.707 1.00 0.00 C ATOM 219 CG GLU A 101 -4.410 -13.982 -3.278 1.00 0.00 C ATOM 220 CD GLU A 101 -4.245 -14.951 -4.432 1.00 0.00 C ATOM 221 OE1 GLU A 101 -3.317 -15.785 -4.377 1.00 0.00 O ATOM 222 OE2 GLU A 101 -5.043 -14.876 -5.389 1.00 0.00 O ATOM 0 H GLU A 101 -4.477 -13.808 -0.697 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.232 -12.216 -1.223 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.455 -13.148 -3.519 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.563 -14.375 -2.273 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -4.993 -14.458 -2.490 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.978 -13.115 -3.615 1.00 0.00 H new ATOM 229 N ARG A 102 -5.068 -10.958 -2.187 1.00 0.00 N ATOM 230 CA ARG A 102 -5.710 -9.777 -2.753 1.00 0.00 C ATOM 231 C ARG A 102 -5.142 -8.502 -2.137 1.00 0.00 C ATOM 232 O ARG A 102 -5.073 -7.462 -2.792 1.00 0.00 O ATOM 233 CB ARG A 102 -7.222 -9.836 -2.529 1.00 0.00 C ATOM 234 CG ARG A 102 -8.021 -9.061 -3.563 1.00 0.00 C ATOM 235 CD ARG A 102 -9.297 -9.795 -3.946 1.00 0.00 C ATOM 236 NE ARG A 102 -9.773 -9.409 -5.272 1.00 0.00 N ATOM 237 CZ ARG A 102 -9.212 -9.823 -6.403 1.00 0.00 C ATOM 238 NH1 ARG A 102 -8.161 -10.632 -6.369 1.00 0.00 N ATOM 239 NH2 ARG A 102 -9.703 -9.429 -7.571 1.00 0.00 N ATOM 0 H ARG A 102 -5.707 -11.606 -1.726 1.00 0.00 H new ATOM 0 HA ARG A 102 -5.509 -9.763 -3.824 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -7.542 -10.878 -2.541 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -7.450 -9.444 -1.538 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -8.271 -8.076 -3.168 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.411 -8.902 -4.452 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -9.118 -10.870 -3.924 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -10.071 -9.586 -3.208 1.00 0.00 H new ATOM 0 HE ARG A 102 -10.580 -8.788 -5.333 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -7.782 -10.938 -5.473 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -7.732 -10.948 -7.239 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -10.512 -8.808 -7.601 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -9.272 -9.747 -8.439 1.00 0.00 H new ATOM 253 N ARG A 103 -4.740 -8.590 -0.873 1.00 0.00 N ATOM 254 CA ARG A 103 -4.181 -7.442 -0.168 1.00 0.00 C ATOM 255 C ARG A 103 -2.695 -7.285 -0.477 1.00 0.00 C ATOM 256 O ARG A 103 -2.186 -6.169 -0.582 1.00 0.00 O ATOM 257 CB ARG A 103 -4.385 -7.595 1.340 1.00 0.00 C ATOM 258 CG ARG A 103 -5.201 -6.473 1.961 1.00 0.00 C ATOM 259 CD ARG A 103 -4.771 -6.198 3.393 1.00 0.00 C ATOM 260 NE ARG A 103 -5.229 -4.893 3.862 1.00 0.00 N ATOM 261 CZ ARG A 103 -4.782 -4.310 4.969 1.00 0.00 C ATOM 262 NH1 ARG A 103 -3.869 -4.914 5.717 1.00 0.00 N ATOM 263 NH2 ARG A 103 -5.247 -3.122 5.329 1.00 0.00 N ATOM 0 H ARG A 103 -4.791 -9.443 -0.317 1.00 0.00 H new ATOM 0 HA ARG A 103 -4.702 -6.548 -0.510 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.881 -8.545 1.536 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -3.411 -7.637 1.827 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -5.088 -5.567 1.366 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -6.258 -6.737 1.942 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -5.166 -6.977 4.046 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -3.684 -6.246 3.461 1.00 0.00 H new ATOM 0 HE ARG A 103 -5.931 -4.402 3.309 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -3.508 -5.828 5.443 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -3.527 -4.465 6.566 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -5.949 -2.654 4.756 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -4.903 -2.676 6.179 1.00 0.00 H new ATOM 277 N LEU A 104 -2.004 -8.410 -0.622 1.00 0.00 N ATOM 278 CA LEU A 104 -0.576 -8.399 -0.919 1.00 0.00 C ATOM 279 C LEU A 104 -0.298 -7.670 -2.230 1.00 0.00 C ATOM 280 O LEU A 104 0.605 -6.838 -2.309 1.00 0.00 O ATOM 281 CB LEU A 104 -0.038 -9.829 -0.993 1.00 0.00 C ATOM 282 CG LEU A 104 1.473 -9.988 -0.818 1.00 0.00 C ATOM 283 CD1 LEU A 104 1.832 -10.079 0.657 1.00 0.00 C ATOM 284 CD2 LEU A 104 1.970 -11.216 -1.567 1.00 0.00 C ATOM 0 H LEU A 104 -2.410 -9.342 -0.539 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.067 -7.868 -0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.537 -10.423 -0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.318 -10.252 -1.958 1.00 0.00 H new ATOM 0 HG LEU A 104 1.963 -9.109 -1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.911 -10.192 0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.511 -9.171 1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.332 -10.940 1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.047 -11.314 -1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.473 -12.105 -1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.746 -11.110 -2.628 1.00 0.00 H new ATOM 296 N GLN A 105 -1.083 -7.988 -3.255 1.00 0.00 N ATOM 297 CA GLN A 105 -0.921 -7.362 -4.562 1.00 0.00 C ATOM 298 C GLN A 105 -1.230 -5.871 -4.493 1.00 0.00 C ATOM 299 O GLN A 105 -0.552 -5.056 -5.120 1.00 0.00 O ATOM 300 CB GLN A 105 -1.832 -8.037 -5.590 1.00 0.00 C ATOM 301 CG GLN A 105 -1.371 -7.850 -7.026 1.00 0.00 C ATOM 302 CD GLN A 105 -0.227 -8.773 -7.396 1.00 0.00 C ATOM 303 OE1 GLN A 105 -0.123 -9.889 -6.885 1.00 0.00 O ATOM 304 NE2 GLN A 105 0.640 -8.312 -8.290 1.00 0.00 N ATOM 0 H GLN A 105 -1.836 -8.674 -3.206 1.00 0.00 H new ATOM 0 HA GLN A 105 0.117 -7.485 -4.870 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -1.886 -9.103 -5.370 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.841 -7.638 -5.486 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -2.210 -8.029 -7.699 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -1.060 -6.816 -7.172 1.00 0.00 H new ATOM 0 HE21 GLN A 105 0.516 -7.381 -8.688 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.430 -8.889 -8.579 1.00 0.00 H new ATOM 313 N SER A 106 -2.259 -5.519 -3.728 1.00 0.00 N ATOM 314 CA SER A 106 -2.661 -4.125 -3.580 1.00 0.00 C ATOM 315 C SER A 106 -1.492 -3.271 -3.098 1.00 0.00 C ATOM 316 O SER A 106 -1.201 -2.220 -3.669 1.00 0.00 O ATOM 317 CB SER A 106 -3.830 -4.010 -2.600 1.00 0.00 C ATOM 318 OG SER A 106 -5.063 -4.281 -3.243 1.00 0.00 O ATOM 0 H SER A 106 -2.829 -6.180 -3.201 1.00 0.00 H new ATOM 0 HA SER A 106 -2.978 -3.758 -4.556 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.686 -4.707 -1.774 1.00 0.00 H new ATOM 0 HB3 SER A 106 -3.852 -3.008 -2.172 1.00 0.00 H new ATOM 0 HG SER A 106 -5.238 -5.245 -3.222 1.00 0.00 H new ATOM 324 N GLN A 107 -0.827 -3.731 -2.043 1.00 0.00 N ATOM 325 CA GLN A 107 0.309 -3.009 -1.482 1.00 0.00 C ATOM 326 C GLN A 107 1.488 -3.014 -2.450 1.00 0.00 C ATOM 327 O GLN A 107 2.294 -2.084 -2.465 1.00 0.00 O ATOM 328 CB GLN A 107 0.727 -3.629 -0.148 1.00 0.00 C ATOM 329 CG GLN A 107 0.962 -2.606 0.951 1.00 0.00 C ATOM 330 CD GLN A 107 -0.313 -2.228 1.678 1.00 0.00 C ATOM 331 OE1 GLN A 107 -1.184 -1.558 1.121 1.00 0.00 O ATOM 332 NE2 GLN A 107 -0.431 -2.655 2.930 1.00 0.00 N ATOM 0 H GLN A 107 -1.055 -4.600 -1.560 1.00 0.00 H new ATOM 0 HA GLN A 107 0.004 -1.976 -1.314 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.045 -4.327 0.176 1.00 0.00 H new ATOM 0 HB3 GLN A 107 1.639 -4.207 -0.296 1.00 0.00 H new ATOM 0 HG2 GLN A 107 1.679 -3.006 1.667 1.00 0.00 H new ATOM 0 HG3 GLN A 107 1.409 -1.710 0.519 1.00 0.00 H new ATOM 0 HE21 GLN A 107 0.315 -3.208 3.353 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -1.267 -2.430 3.469 1.00 0.00 H new ATOM 341 N GLN A 108 1.581 -4.066 -3.257 1.00 0.00 N ATOM 342 CA GLN A 108 2.662 -4.191 -4.227 1.00 0.00 C ATOM 343 C GLN A 108 2.680 -2.999 -5.178 1.00 0.00 C ATOM 344 O GLN A 108 3.728 -2.636 -5.713 1.00 0.00 O ATOM 345 CB GLN A 108 2.515 -5.490 -5.021 1.00 0.00 C ATOM 346 CG GLN A 108 3.707 -6.425 -4.884 1.00 0.00 C ATOM 347 CD GLN A 108 3.543 -7.417 -3.750 1.00 0.00 C ATOM 348 OE1 GLN A 108 3.316 -7.034 -2.602 1.00 0.00 O ATOM 349 NE2 GLN A 108 3.657 -8.702 -4.066 1.00 0.00 N ATOM 0 H GLN A 108 0.921 -4.844 -3.258 1.00 0.00 H new ATOM 0 HA GLN A 108 3.606 -4.212 -3.682 1.00 0.00 H new ATOM 0 HB2 GLN A 108 1.616 -6.009 -4.689 1.00 0.00 H new ATOM 0 HB3 GLN A 108 2.373 -5.248 -6.074 1.00 0.00 H new ATOM 0 HG2 GLN A 108 3.848 -6.968 -5.819 1.00 0.00 H new ATOM 0 HG3 GLN A 108 4.609 -5.836 -4.719 1.00 0.00 H new ATOM 0 HE21 GLN A 108 3.846 -8.975 -5.030 1.00 0.00 H new ATOM 0 HE22 GLN A 108 3.556 -9.416 -3.344 1.00 0.00 H new ATOM 358 N ASP A 109 1.515 -2.396 -5.385 1.00 0.00 N ATOM 359 CA ASP A 109 1.397 -1.244 -6.272 1.00 0.00 C ATOM 360 C ASP A 109 2.317 -0.114 -5.821 1.00 0.00 C ATOM 361 O ASP A 109 2.747 0.710 -6.628 1.00 0.00 O ATOM 362 CB ASP A 109 -0.051 -0.753 -6.315 1.00 0.00 C ATOM 363 CG ASP A 109 -0.411 -0.130 -7.650 1.00 0.00 C ATOM 364 OD1 ASP A 109 0.281 0.823 -8.066 1.00 0.00 O ATOM 365 OD2 ASP A 109 -1.384 -0.596 -8.278 1.00 0.00 O ATOM 0 H ASP A 109 0.639 -2.685 -4.951 1.00 0.00 H new ATOM 0 HA ASP A 109 1.697 -1.555 -7.273 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -0.721 -1.589 -6.115 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -0.208 -0.022 -5.522 1.00 0.00 H new ATOM 370 N ASP A 110 2.615 -0.082 -4.526 1.00 0.00 N ATOM 371 CA ASP A 110 3.485 0.946 -3.967 1.00 0.00 C ATOM 372 C ASP A 110 4.946 0.662 -4.300 1.00 0.00 C ATOM 373 O ASP A 110 5.690 1.564 -4.687 1.00 0.00 O ATOM 374 CB ASP A 110 3.301 1.031 -2.451 1.00 0.00 C ATOM 375 CG ASP A 110 3.765 2.358 -1.885 1.00 0.00 C ATOM 376 OD1 ASP A 110 3.862 3.333 -2.659 1.00 0.00 O ATOM 377 OD2 ASP A 110 4.032 2.422 -0.667 1.00 0.00 O ATOM 0 H ASP A 110 2.267 -0.756 -3.844 1.00 0.00 H new ATOM 0 HA ASP A 110 3.209 1.902 -4.412 1.00 0.00 H new ATOM 0 HB2 ASP A 110 2.249 0.883 -2.207 1.00 0.00 H new ATOM 0 HB3 ASP A 110 3.856 0.222 -1.975 1.00 0.00 H new ATOM 382 N ILE A 111 5.349 -0.594 -4.144 1.00 0.00 N ATOM 383 CA ILE A 111 6.722 -0.996 -4.428 1.00 0.00 C ATOM 384 C ILE A 111 6.814 -1.731 -5.760 1.00 0.00 C ATOM 385 O ILE A 111 7.501 -2.748 -5.874 1.00 0.00 O ATOM 386 CB ILE A 111 7.285 -1.899 -3.315 1.00 0.00 C ATOM 387 CG1 ILE A 111 6.373 -3.109 -3.099 1.00 0.00 C ATOM 388 CG2 ILE A 111 7.444 -1.112 -2.023 1.00 0.00 C ATOM 389 CD1 ILE A 111 7.124 -4.414 -2.960 1.00 0.00 C ATOM 0 H ILE A 111 4.745 -1.351 -3.823 1.00 0.00 H new ATOM 0 HA ILE A 111 7.315 -0.083 -4.478 1.00 0.00 H new ATOM 0 HB ILE A 111 8.267 -2.258 -3.622 1.00 0.00 H new ATOM 0 HG12 ILE A 111 5.774 -2.947 -2.203 1.00 0.00 H new ATOM 0 HG13 ILE A 111 5.680 -3.185 -3.937 1.00 0.00 H new ATOM 0 HG21 ILE A 111 7.843 -1.764 -1.246 1.00 0.00 H new ATOM 0 HG22 ILE A 111 8.129 -0.280 -2.186 1.00 0.00 H new ATOM 0 HG23 ILE A 111 6.474 -0.727 -1.710 1.00 0.00 H new ATOM 0 HD11 ILE A 111 6.415 -5.228 -2.810 1.00 0.00 H new ATOM 0 HD12 ILE A 111 7.702 -4.599 -3.865 1.00 0.00 H new ATOM 0 HD13 ILE A 111 7.797 -4.357 -2.105 1.00 0.00 H new ATOM 401 N ASP A 112 6.121 -1.211 -6.767 1.00 0.00 N ATOM 402 CA ASP A 112 6.128 -1.816 -8.094 1.00 0.00 C ATOM 403 C ASP A 112 7.398 -1.447 -8.853 1.00 0.00 C ATOM 404 O ASP A 112 7.937 -2.254 -9.611 1.00 0.00 O ATOM 405 CB ASP A 112 4.898 -1.372 -8.886 1.00 0.00 C ATOM 406 CG ASP A 112 5.000 0.066 -9.355 1.00 0.00 C ATOM 407 OD1 ASP A 112 5.353 0.935 -8.530 1.00 0.00 O ATOM 408 OD2 ASP A 112 4.726 0.324 -10.546 1.00 0.00 O ATOM 0 H ASP A 112 5.547 -0.371 -6.690 1.00 0.00 H new ATOM 0 HA ASP A 112 6.101 -2.899 -7.973 1.00 0.00 H new ATOM 0 HB2 ASP A 112 4.770 -2.025 -9.750 1.00 0.00 H new ATOM 0 HB3 ASP A 112 4.009 -1.487 -8.266 1.00 0.00 H new ATOM 413 N PHE A 113 7.871 -0.223 -8.646 1.00 0.00 N ATOM 414 CA PHE A 113 9.077 0.254 -9.312 1.00 0.00 C ATOM 415 C PHE A 113 10.257 -0.673 -9.031 1.00 0.00 C ATOM 416 O PHE A 113 11.141 -0.843 -9.870 1.00 0.00 O ATOM 417 CB PHE A 113 9.411 1.675 -8.854 1.00 0.00 C ATOM 418 CG PHE A 113 9.608 1.796 -7.370 1.00 0.00 C ATOM 419 CD1 PHE A 113 10.857 1.598 -6.805 1.00 0.00 C ATOM 420 CD2 PHE A 113 8.543 2.107 -6.540 1.00 0.00 C ATOM 421 CE1 PHE A 113 11.042 1.709 -5.440 1.00 0.00 C ATOM 422 CE2 PHE A 113 8.721 2.219 -5.174 1.00 0.00 C ATOM 423 CZ PHE A 113 9.972 2.019 -4.623 1.00 0.00 C ATOM 0 H PHE A 113 7.437 0.457 -8.022 1.00 0.00 H new ATOM 0 HA PHE A 113 8.890 0.260 -10.386 1.00 0.00 H new ATOM 0 HB2 PHE A 113 10.317 2.008 -9.361 1.00 0.00 H new ATOM 0 HB3 PHE A 113 8.609 2.345 -9.162 1.00 0.00 H new ATOM 0 HD1 PHE A 113 11.697 1.354 -7.439 1.00 0.00 H new ATOM 0 HD2 PHE A 113 7.563 2.264 -6.965 1.00 0.00 H new ATOM 0 HE1 PHE A 113 12.022 1.554 -5.013 1.00 0.00 H new ATOM 0 HE2 PHE A 113 7.883 2.463 -4.538 1.00 0.00 H new ATOM 0 HZ PHE A 113 10.113 2.105 -3.556 1.00 0.00 H new ATOM 433 N LYS A 114 10.262 -1.271 -7.845 1.00 0.00 N ATOM 434 CA LYS A 114 11.330 -2.181 -7.451 1.00 0.00 C ATOM 435 C LYS A 114 11.501 -3.297 -8.477 1.00 0.00 C ATOM 436 O LYS A 114 12.595 -3.836 -8.646 1.00 0.00 O ATOM 437 CB LYS A 114 11.036 -2.781 -6.074 1.00 0.00 C ATOM 438 CG LYS A 114 12.022 -2.353 -5.000 1.00 0.00 C ATOM 439 CD LYS A 114 11.337 -2.169 -3.656 1.00 0.00 C ATOM 440 CE LYS A 114 11.907 -3.111 -2.607 1.00 0.00 C ATOM 441 NZ LYS A 114 11.571 -2.670 -1.225 1.00 0.00 N ATOM 0 H LYS A 114 9.537 -1.141 -7.139 1.00 0.00 H new ATOM 0 HA LYS A 114 12.258 -1.611 -7.402 1.00 0.00 H new ATOM 0 HB2 LYS A 114 10.031 -2.492 -5.768 1.00 0.00 H new ATOM 0 HB3 LYS A 114 11.045 -3.868 -6.151 1.00 0.00 H new ATOM 0 HG2 LYS A 114 12.809 -3.101 -4.909 1.00 0.00 H new ATOM 0 HG3 LYS A 114 12.501 -1.420 -5.296 1.00 0.00 H new ATOM 0 HD2 LYS A 114 11.456 -1.138 -3.324 1.00 0.00 H new ATOM 0 HD3 LYS A 114 10.267 -2.347 -3.764 1.00 0.00 H new ATOM 0 HE2 LYS A 114 11.519 -4.116 -2.772 1.00 0.00 H new ATOM 0 HE3 LYS A 114 12.990 -3.165 -2.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 11.977 -3.338 -0.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 11.963 -1.721 -1.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 10.538 -2.642 -1.111 1.00 0.00 H new ATOM 455 N ARG A 115 10.413 -3.637 -9.161 1.00 0.00 N ATOM 456 CA ARG A 115 10.443 -4.688 -10.171 1.00 0.00 C ATOM 457 C ARG A 115 10.766 -4.111 -11.546 1.00 0.00 C ATOM 458 O ARG A 115 11.309 -4.802 -12.407 1.00 0.00 O ATOM 459 CB ARG A 115 9.100 -5.419 -10.216 1.00 0.00 C ATOM 460 CG ARG A 115 9.126 -6.690 -11.048 1.00 0.00 C ATOM 461 CD ARG A 115 9.347 -7.920 -10.181 1.00 0.00 C ATOM 462 NE ARG A 115 8.757 -9.119 -10.771 1.00 0.00 N ATOM 463 CZ ARG A 115 9.037 -10.352 -10.364 1.00 0.00 C ATOM 464 NH1 ARG A 115 9.893 -10.548 -9.371 1.00 0.00 N ATOM 465 NH2 ARG A 115 8.459 -11.393 -10.951 1.00 0.00 N ATOM 0 H ARG A 115 9.500 -3.200 -9.034 1.00 0.00 H new ATOM 0 HA ARG A 115 11.226 -5.396 -9.900 1.00 0.00 H new ATOM 0 HB2 ARG A 115 8.797 -5.667 -9.199 1.00 0.00 H new ATOM 0 HB3 ARG A 115 8.343 -4.746 -10.619 1.00 0.00 H new ATOM 0 HG2 ARG A 115 8.186 -6.790 -11.590 1.00 0.00 H new ATOM 0 HG3 ARG A 115 9.918 -6.622 -11.793 1.00 0.00 H new ATOM 0 HD2 ARG A 115 10.416 -8.075 -10.038 1.00 0.00 H new ATOM 0 HD3 ARG A 115 8.915 -7.751 -9.195 1.00 0.00 H new ATOM 0 HE ARG A 115 8.094 -9.003 -11.537 1.00 0.00 H new ATOM 0 HH11 ARG A 115 10.339 -9.751 -8.917 1.00 0.00 H new ATOM 0 HH12 ARG A 115 10.106 -11.496 -9.061 1.00 0.00 H new ATOM 0 HH21 ARG A 115 7.799 -11.246 -11.715 1.00 0.00 H new ATOM 0 HH22 ARG A 115 8.675 -12.340 -10.638 1.00 0.00 H new ATOM 479 N ALA A 116 10.428 -2.841 -11.744 1.00 0.00 N ATOM 480 CA ALA A 116 10.683 -2.172 -13.013 1.00 0.00 C ATOM 481 C ALA A 116 12.174 -1.914 -13.208 1.00 0.00 C ATOM 482 O ALA A 116 12.654 -1.821 -14.337 1.00 0.00 O ATOM 483 CB ALA A 116 9.906 -0.866 -13.087 1.00 0.00 C ATOM 0 H ALA A 116 9.977 -2.255 -11.041 1.00 0.00 H new ATOM 0 HA ALA A 116 10.346 -2.829 -13.815 1.00 0.00 H new ATOM 0 HB1 ALA A 116 10.106 -0.377 -14.040 1.00 0.00 H new ATOM 0 HB2 ALA A 116 8.839 -1.072 -13.002 1.00 0.00 H new ATOM 0 HB3 ALA A 116 10.215 -0.212 -12.272 1.00 0.00 H new ATOM 489 N GLU A 117 12.899 -1.798 -12.100 1.00 0.00 N ATOM 490 CA GLU A 117 14.335 -1.550 -12.150 1.00 0.00 C ATOM 491 C GLU A 117 15.115 -2.861 -12.152 1.00 0.00 C ATOM 492 O GLU A 117 16.213 -2.942 -12.703 1.00 0.00 O ATOM 493 CB GLU A 117 14.767 -0.688 -10.961 1.00 0.00 C ATOM 494 CG GLU A 117 14.638 -1.392 -9.621 1.00 0.00 C ATOM 495 CD GLU A 117 15.966 -1.909 -9.103 1.00 0.00 C ATOM 496 OE1 GLU A 117 16.342 -3.044 -9.464 1.00 0.00 O ATOM 497 OE2 GLU A 117 16.630 -1.179 -8.337 1.00 0.00 O ATOM 0 H GLU A 117 12.516 -1.872 -11.158 1.00 0.00 H new ATOM 0 HA GLU A 117 14.554 -1.017 -13.075 1.00 0.00 H new ATOM 0 HB2 GLU A 117 15.803 -0.381 -11.103 1.00 0.00 H new ATOM 0 HB3 GLU A 117 14.165 0.221 -10.944 1.00 0.00 H new ATOM 0 HG2 GLU A 117 14.212 -0.703 -8.892 1.00 0.00 H new ATOM 0 HG3 GLU A 117 13.941 -2.225 -9.718 1.00 0.00 H new ATOM 504 N LEU A 118 14.540 -3.886 -11.532 1.00 0.00 N ATOM 505 CA LEU A 118 15.180 -5.194 -11.461 1.00 0.00 C ATOM 506 C LEU A 118 15.180 -5.875 -12.826 1.00 0.00 C ATOM 507 O LEU A 118 16.136 -6.560 -13.189 1.00 0.00 O ATOM 508 CB LEU A 118 14.465 -6.078 -10.438 1.00 0.00 C ATOM 509 CG LEU A 118 15.235 -6.369 -9.149 1.00 0.00 C ATOM 510 CD1 LEU A 118 14.325 -7.019 -8.118 1.00 0.00 C ATOM 511 CD2 LEU A 118 16.439 -7.256 -9.434 1.00 0.00 C ATOM 0 H LEU A 118 13.631 -3.836 -11.071 1.00 0.00 H new ATOM 0 HA LEU A 118 16.214 -5.049 -11.148 1.00 0.00 H new ATOM 0 HB2 LEU A 118 13.520 -5.603 -10.174 1.00 0.00 H new ATOM 0 HB3 LEU A 118 14.222 -7.028 -10.915 1.00 0.00 H new ATOM 0 HG LEU A 118 15.594 -5.423 -8.743 1.00 0.00 H new ATOM 0 HD11 LEU A 118 14.891 -7.219 -7.208 1.00 0.00 H new ATOM 0 HD12 LEU A 118 13.496 -6.349 -7.891 1.00 0.00 H new ATOM 0 HD13 LEU A 118 13.935 -7.956 -8.516 1.00 0.00 H new ATOM 0 HD21 LEU A 118 16.974 -7.452 -8.505 1.00 0.00 H new ATOM 0 HD22 LEU A 118 16.102 -8.199 -9.865 1.00 0.00 H new ATOM 0 HD23 LEU A 118 17.103 -6.753 -10.136 1.00 0.00 H new ATOM 523 N ALA A 119 14.102 -5.680 -13.579 1.00 0.00 N ATOM 524 CA ALA A 119 13.980 -6.272 -14.906 1.00 0.00 C ATOM 525 C ALA A 119 15.182 -5.921 -15.776 1.00 0.00 C ATOM 526 O ALA A 119 15.590 -6.705 -16.634 1.00 0.00 O ATOM 527 CB ALA A 119 12.691 -5.811 -15.572 1.00 0.00 C ATOM 0 H ALA A 119 13.301 -5.117 -13.293 1.00 0.00 H new ATOM 0 HA ALA A 119 13.951 -7.356 -14.793 1.00 0.00 H new ATOM 0 HB1 ALA A 119 12.612 -6.260 -16.562 1.00 0.00 H new ATOM 0 HB2 ALA A 119 11.839 -6.117 -14.966 1.00 0.00 H new ATOM 0 HB3 ALA A 119 12.698 -4.725 -15.666 1.00 0.00 H new ATOM 533 N LEU A 120 15.744 -4.739 -15.551 1.00 0.00 N ATOM 534 CA LEU A 120 16.900 -4.283 -16.316 1.00 0.00 C ATOM 535 C LEU A 120 18.107 -5.181 -16.064 1.00 0.00 C ATOM 536 O LEU A 120 18.715 -5.701 -17.000 1.00 0.00 O ATOM 537 CB LEU A 120 17.241 -2.838 -15.951 1.00 0.00 C ATOM 538 CG LEU A 120 17.376 -1.864 -17.122 1.00 0.00 C ATOM 539 CD1 LEU A 120 18.462 -2.327 -18.079 1.00 0.00 C ATOM 540 CD2 LEU A 120 16.047 -1.718 -17.851 1.00 0.00 C ATOM 0 H LEU A 120 15.418 -4.079 -14.845 1.00 0.00 H new ATOM 0 HA LEU A 120 16.647 -4.333 -17.375 1.00 0.00 H new ATOM 0 HB2 LEU A 120 16.469 -2.462 -15.279 1.00 0.00 H new ATOM 0 HB3 LEU A 120 18.178 -2.837 -15.393 1.00 0.00 H new ATOM 0 HG LEU A 120 17.660 -0.889 -16.727 1.00 0.00 H new ATOM 0 HD11 LEU A 120 18.543 -1.621 -18.906 1.00 0.00 H new ATOM 0 HD12 LEU A 120 19.414 -2.379 -17.551 1.00 0.00 H new ATOM 0 HD13 LEU A 120 18.208 -3.313 -18.467 1.00 0.00 H new ATOM 0 HD21 LEU A 120 16.162 -1.021 -18.681 1.00 0.00 H new ATOM 0 HD22 LEU A 120 15.733 -2.689 -18.233 1.00 0.00 H new ATOM 0 HD23 LEU A 120 15.293 -1.339 -17.161 1.00 0.00 H new ATOM 552 N LYS A 121 18.450 -5.361 -14.793 1.00 0.00 N ATOM 553 CA LYS A 121 19.582 -6.199 -14.416 1.00 0.00 C ATOM 554 C LYS A 121 19.151 -7.652 -14.251 1.00 0.00 C ATOM 555 O LYS A 121 18.720 -8.063 -13.174 1.00 0.00 O ATOM 556 CB LYS A 121 20.208 -5.691 -13.115 1.00 0.00 C ATOM 557 CG LYS A 121 21.410 -4.787 -13.331 1.00 0.00 C ATOM 558 CD LYS A 121 21.621 -3.849 -12.155 1.00 0.00 C ATOM 559 CE LYS A 121 21.800 -2.410 -12.616 1.00 0.00 C ATOM 560 NZ LYS A 121 21.637 -1.444 -11.495 1.00 0.00 N ATOM 0 H LYS A 121 17.959 -4.937 -14.006 1.00 0.00 H new ATOM 0 HA LYS A 121 20.323 -6.146 -15.214 1.00 0.00 H new ATOM 0 HB2 LYS A 121 19.453 -5.148 -12.546 1.00 0.00 H new ATOM 0 HB3 LYS A 121 20.510 -6.545 -12.509 1.00 0.00 H new ATOM 0 HG2 LYS A 121 22.302 -5.396 -13.477 1.00 0.00 H new ATOM 0 HG3 LYS A 121 21.269 -4.204 -14.241 1.00 0.00 H new ATOM 0 HD2 LYS A 121 20.768 -3.913 -11.480 1.00 0.00 H new ATOM 0 HD3 LYS A 121 22.499 -4.163 -11.590 1.00 0.00 H new ATOM 0 HE2 LYS A 121 22.789 -2.291 -13.057 1.00 0.00 H new ATOM 0 HE3 LYS A 121 21.073 -2.186 -13.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 21.766 -0.475 -11.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 20.684 -1.540 -11.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 22.347 -1.641 -10.761 1.00 0.00 H new ATOM 574 N ARG A 122 19.273 -8.426 -15.325 1.00 0.00 N ATOM 575 CA ARG A 122 18.897 -9.834 -15.299 1.00 0.00 C ATOM 576 C ARG A 122 19.998 -10.679 -14.666 1.00 0.00 C ATOM 577 O ARG A 122 19.734 -11.515 -13.802 1.00 0.00 O ATOM 578 CB ARG A 122 18.607 -10.333 -16.716 1.00 0.00 C ATOM 579 CG ARG A 122 17.189 -10.848 -16.902 1.00 0.00 C ATOM 580 CD ARG A 122 16.357 -9.897 -17.747 1.00 0.00 C ATOM 581 NE ARG A 122 15.269 -10.585 -18.435 1.00 0.00 N ATOM 582 CZ ARG A 122 14.178 -11.032 -17.822 1.00 0.00 C ATOM 583 NH1 ARG A 122 14.032 -10.863 -16.515 1.00 0.00 N ATOM 584 NH2 ARG A 122 13.231 -11.648 -18.517 1.00 0.00 N ATOM 0 H ARG A 122 19.629 -8.101 -16.224 1.00 0.00 H new ATOM 0 HA ARG A 122 17.995 -9.932 -14.695 1.00 0.00 H new ATOM 0 HB2 ARG A 122 18.785 -9.521 -17.421 1.00 0.00 H new ATOM 0 HB3 ARG A 122 19.309 -11.130 -16.962 1.00 0.00 H new ATOM 0 HG2 ARG A 122 17.216 -11.829 -17.377 1.00 0.00 H new ATOM 0 HG3 ARG A 122 16.717 -10.978 -15.928 1.00 0.00 H new ATOM 0 HD2 ARG A 122 15.945 -9.113 -17.111 1.00 0.00 H new ATOM 0 HD3 ARG A 122 16.998 -9.409 -18.481 1.00 0.00 H new ATOM 0 HE ARG A 122 15.351 -10.731 -19.441 1.00 0.00 H new ATOM 0 HH11 ARG A 122 14.758 -10.389 -15.978 1.00 0.00 H new ATOM 0 HH12 ARG A 122 13.194 -11.207 -16.047 1.00 0.00 H new ATOM 0 HH21 ARG A 122 13.340 -11.779 -19.523 1.00 0.00 H new ATOM 0 HH22 ARG A 122 12.394 -11.991 -18.046 1.00 0.00 H new ATOM 598 N ALA A 123 21.234 -10.455 -15.102 1.00 0.00 N ATOM 599 CA ALA A 123 22.375 -11.194 -14.578 1.00 0.00 C ATOM 600 C ALA A 123 22.483 -11.037 -13.065 1.00 0.00 C ATOM 601 O ALA A 123 22.611 -12.021 -12.337 1.00 0.00 O ATOM 602 CB ALA A 123 23.658 -10.731 -15.251 1.00 0.00 C ATOM 0 H ALA A 123 21.470 -9.767 -15.817 1.00 0.00 H new ATOM 0 HA ALA A 123 22.223 -12.251 -14.798 1.00 0.00 H new ATOM 0 HB1 ALA A 123 24.502 -11.292 -14.850 1.00 0.00 H new ATOM 0 HB2 ALA A 123 23.587 -10.901 -16.325 1.00 0.00 H new ATOM 0 HB3 ALA A 123 23.805 -9.668 -15.061 1.00 0.00 H new ATOM 608 N MET A 124 22.430 -9.793 -12.598 1.00 0.00 N ATOM 609 CA MET A 124 22.521 -9.509 -11.171 1.00 0.00 C ATOM 610 C MET A 124 21.380 -10.176 -10.409 1.00 0.00 C ATOM 611 O MET A 124 21.582 -10.722 -9.326 1.00 0.00 O ATOM 612 CB MET A 124 22.497 -7.998 -10.928 1.00 0.00 C ATOM 613 CG MET A 124 23.709 -7.486 -10.167 1.00 0.00 C ATOM 614 SD MET A 124 23.788 -8.117 -8.481 1.00 0.00 S ATOM 615 CE MET A 124 25.393 -8.911 -8.492 1.00 0.00 C ATOM 0 H MET A 124 22.325 -8.967 -13.187 1.00 0.00 H new ATOM 0 HA MET A 124 23.464 -9.915 -10.805 1.00 0.00 H new ATOM 0 HB2 MET A 124 22.437 -7.485 -11.888 1.00 0.00 H new ATOM 0 HB3 MET A 124 21.595 -7.742 -10.373 1.00 0.00 H new ATOM 0 HG2 MET A 124 24.615 -7.772 -10.701 1.00 0.00 H new ATOM 0 HG3 MET A 124 23.684 -6.397 -10.142 1.00 0.00 H new ATOM 0 HE1 MET A 124 25.588 -9.351 -7.514 1.00 0.00 H new ATOM 0 HE2 MET A 124 25.407 -9.693 -9.251 1.00 0.00 H new ATOM 0 HE3 MET A 124 26.163 -8.173 -8.718 1.00 0.00 H new ATOM 625 N ASN A 125 20.183 -10.128 -10.984 1.00 0.00 N ATOM 626 CA ASN A 125 19.010 -10.728 -10.358 1.00 0.00 C ATOM 627 C ASN A 125 19.238 -12.212 -10.086 1.00 0.00 C ATOM 628 O ASN A 125 18.936 -12.707 -9.001 1.00 0.00 O ATOM 629 CB ASN A 125 17.780 -10.544 -11.250 1.00 0.00 C ATOM 630 CG ASN A 125 16.506 -11.028 -10.585 1.00 0.00 C ATOM 631 OD1 ASN A 125 16.343 -10.908 -9.371 1.00 0.00 O ATOM 632 ND2 ASN A 125 15.597 -11.580 -11.380 1.00 0.00 N ATOM 0 H ASN A 125 19.999 -9.680 -11.882 1.00 0.00 H new ATOM 0 HA ASN A 125 18.839 -10.225 -9.406 1.00 0.00 H new ATOM 0 HB2 ASN A 125 17.675 -9.490 -11.506 1.00 0.00 H new ATOM 0 HB3 ASN A 125 17.928 -11.086 -12.184 1.00 0.00 H new ATOM 0 HD21 ASN A 125 14.720 -11.926 -10.989 1.00 0.00 H new ATOM 0 HD22 ASN A 125 15.775 -11.658 -12.381 1.00 0.00 H new ATOM 639 N ARG A 126 19.771 -12.915 -11.080 1.00 0.00 N ATOM 640 CA ARG A 126 20.039 -14.341 -10.948 1.00 0.00 C ATOM 641 C ARG A 126 20.869 -14.626 -9.700 1.00 0.00 C ATOM 642 O ARG A 126 20.533 -15.505 -8.904 1.00 0.00 O ATOM 643 CB ARG A 126 20.768 -14.862 -12.188 1.00 0.00 C ATOM 644 CG ARG A 126 19.891 -14.928 -13.428 1.00 0.00 C ATOM 645 CD ARG A 126 19.473 -16.357 -13.738 1.00 0.00 C ATOM 646 NE ARG A 126 18.995 -16.501 -15.111 1.00 0.00 N ATOM 647 CZ ARG A 126 17.804 -16.083 -15.522 1.00 0.00 C ATOM 648 NH1 ARG A 126 16.973 -15.498 -14.671 1.00 0.00 N ATOM 649 NH2 ARG A 126 17.441 -16.250 -16.788 1.00 0.00 N ATOM 0 H ARG A 126 20.026 -12.520 -11.985 1.00 0.00 H new ATOM 0 HA ARG A 126 19.083 -14.857 -10.853 1.00 0.00 H new ATOM 0 HB2 ARG A 126 21.624 -14.219 -12.393 1.00 0.00 H new ATOM 0 HB3 ARG A 126 21.160 -15.857 -11.977 1.00 0.00 H new ATOM 0 HG2 ARG A 126 19.004 -14.312 -13.281 1.00 0.00 H new ATOM 0 HG3 ARG A 126 20.430 -14.512 -14.279 1.00 0.00 H new ATOM 0 HD2 ARG A 126 20.319 -17.025 -13.576 1.00 0.00 H new ATOM 0 HD3 ARG A 126 18.688 -16.663 -13.047 1.00 0.00 H new ATOM 0 HE ARG A 126 19.610 -16.947 -15.791 1.00 0.00 H new ATOM 0 HH11 ARG A 126 17.248 -15.368 -13.697 1.00 0.00 H new ATOM 0 HH12 ARG A 126 16.059 -15.178 -14.990 1.00 0.00 H new ATOM 0 HH21 ARG A 126 18.077 -16.700 -17.446 1.00 0.00 H new ATOM 0 HH22 ARG A 126 16.526 -15.928 -17.103 1.00 0.00 H new ATOM 663 N LEU A 127 21.954 -13.879 -9.535 1.00 0.00 N ATOM 664 CA LEU A 127 22.834 -14.051 -8.383 1.00 0.00 C ATOM 665 C LEU A 127 22.868 -12.786 -7.531 1.00 0.00 C ATOM 666 O LEU A 127 23.328 -12.808 -6.389 1.00 0.00 O ATOM 667 CB LEU A 127 24.248 -14.407 -8.845 1.00 0.00 C ATOM 668 CG LEU A 127 24.727 -15.820 -8.512 1.00 0.00 C ATOM 669 CD1 LEU A 127 24.877 -15.992 -7.009 1.00 0.00 C ATOM 670 CD2 LEU A 127 23.766 -16.856 -9.076 1.00 0.00 C ATOM 0 H LEU A 127 22.247 -13.148 -10.184 1.00 0.00 H new ATOM 0 HA LEU A 127 22.442 -14.866 -7.775 1.00 0.00 H new ATOM 0 HB2 LEU A 127 24.300 -14.272 -9.925 1.00 0.00 H new ATOM 0 HB3 LEU A 127 24.944 -13.695 -8.401 1.00 0.00 H new ATOM 0 HG LEU A 127 25.703 -15.970 -8.973 1.00 0.00 H new ATOM 0 HD11 LEU A 127 25.219 -17.004 -6.791 1.00 0.00 H new ATOM 0 HD12 LEU A 127 25.605 -15.274 -6.631 1.00 0.00 H new ATOM 0 HD13 LEU A 127 23.915 -15.822 -6.526 1.00 0.00 H new ATOM 0 HD21 LEU A 127 24.123 -17.856 -8.829 1.00 0.00 H new ATOM 0 HD22 LEU A 127 22.776 -16.707 -8.644 1.00 0.00 H new ATOM 0 HD23 LEU A 127 23.709 -16.748 -10.159 1.00 0.00 H new TER 682 LEU A 127