USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 387 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+ -176:sc= 0 (180deg=-0.0116) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc=-0.00313 X(o=-0.0031,f=-0.3) USER MOD Single : A 106 SER OG : rot -133:sc= 0.164 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) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0398) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= -0.11 K(o=-0.11,f=-2.4!) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 132 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 89 12.213 8.066 -0.131 1.00 0.00 N ATOM 21 CA ASP A 89 13.039 6.866 -0.080 1.00 0.00 C ATOM 22 C ASP A 89 12.293 5.668 -0.662 1.00 0.00 C ATOM 23 O ASP A 89 11.157 5.386 -0.281 1.00 0.00 O ATOM 24 CB ASP A 89 13.458 6.570 1.360 1.00 0.00 C ATOM 25 CG ASP A 89 14.715 5.726 1.435 1.00 0.00 C ATOM 26 OD1 ASP A 89 15.649 5.979 0.646 1.00 0.00 O ATOM 27 OD2 ASP A 89 14.764 4.812 2.285 1.00 0.00 O ATOM 0 HA ASP A 89 13.931 7.043 -0.680 1.00 0.00 H new ATOM 0 HB2 ASP A 89 13.623 7.509 1.888 1.00 0.00 H new ATOM 0 HB3 ASP A 89 12.646 6.054 1.873 1.00 0.00 H new ATOM 32 N VAL A 90 12.941 4.968 -1.588 1.00 0.00 N ATOM 33 CA VAL A 90 12.340 3.801 -2.222 1.00 0.00 C ATOM 34 C VAL A 90 12.115 2.681 -1.213 1.00 0.00 C ATOM 35 O VAL A 90 11.081 2.011 -1.231 1.00 0.00 O ATOM 36 CB VAL A 90 13.218 3.272 -3.372 1.00 0.00 C ATOM 37 CG1 VAL A 90 12.521 2.130 -4.095 1.00 0.00 C ATOM 38 CG2 VAL A 90 13.561 4.396 -4.339 1.00 0.00 C ATOM 0 H VAL A 90 13.881 5.189 -1.915 1.00 0.00 H new ATOM 0 HA VAL A 90 11.379 4.121 -2.625 1.00 0.00 H new ATOM 0 HB VAL A 90 14.147 2.889 -2.950 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.157 1.770 -4.904 1.00 0.00 H new ATOM 0 HG12 VAL A 90 12.331 1.318 -3.394 1.00 0.00 H new ATOM 0 HG13 VAL A 90 11.575 2.483 -4.506 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.182 4.005 -5.145 1.00 0.00 H new ATOM 0 HG22 VAL A 90 12.643 4.810 -4.756 1.00 0.00 H new ATOM 0 HG23 VAL A 90 14.104 5.178 -3.809 1.00 0.00 H new ATOM 48 N LEU A 91 13.090 2.482 -0.332 1.00 0.00 N ATOM 49 CA LEU A 91 12.999 1.442 0.687 1.00 0.00 C ATOM 50 C LEU A 91 11.697 1.561 1.471 1.00 0.00 C ATOM 51 O LEU A 91 10.978 0.578 1.652 1.00 0.00 O ATOM 52 CB LEU A 91 14.192 1.530 1.640 1.00 0.00 C ATOM 53 CG LEU A 91 14.349 0.373 2.628 1.00 0.00 C ATOM 54 CD1 LEU A 91 15.351 -0.643 2.104 1.00 0.00 C ATOM 55 CD2 LEU A 91 14.776 0.892 3.993 1.00 0.00 C ATOM 0 H LEU A 91 13.952 3.027 -0.303 1.00 0.00 H new ATOM 0 HA LEU A 91 13.012 0.474 0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 91 15.103 1.599 1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 91 14.111 2.457 2.207 1.00 0.00 H new ATOM 0 HG LEU A 91 13.384 -0.122 2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 91 15.450 -1.459 2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 91 15.003 -1.038 1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 91 16.319 -0.162 1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 91 14.883 0.055 4.683 1.00 0.00 H new ATOM 0 HD22 LEU A 91 15.730 1.412 3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 91 14.022 1.581 4.372 1.00 0.00 H new ATOM 67 N ARG A 92 11.398 2.770 1.932 1.00 0.00 N ATOM 68 CA ARG A 92 10.182 3.018 2.697 1.00 0.00 C ATOM 69 C ARG A 92 8.943 2.693 1.867 1.00 0.00 C ATOM 70 O ARG A 92 8.073 1.938 2.300 1.00 0.00 O ATOM 71 CB ARG A 92 10.132 4.475 3.160 1.00 0.00 C ATOM 72 CG ARG A 92 10.711 4.694 4.548 1.00 0.00 C ATOM 73 CD ARG A 92 9.615 4.827 5.594 1.00 0.00 C ATOM 74 NE ARG A 92 10.021 4.276 6.884 1.00 0.00 N ATOM 75 CZ ARG A 92 9.187 4.098 7.902 1.00 0.00 C ATOM 76 NH1 ARG A 92 7.908 4.425 7.780 1.00 0.00 N ATOM 77 NH2 ARG A 92 9.631 3.591 9.045 1.00 0.00 N ATOM 0 H ARG A 92 11.981 3.594 1.789 1.00 0.00 H new ATOM 0 HA ARG A 92 10.194 2.368 3.572 1.00 0.00 H new ATOM 0 HB2 ARG A 92 10.677 5.093 2.447 1.00 0.00 H new ATOM 0 HB3 ARG A 92 9.096 4.815 3.150 1.00 0.00 H new ATOM 0 HG2 ARG A 92 11.363 3.860 4.807 1.00 0.00 H new ATOM 0 HG3 ARG A 92 11.327 5.593 4.549 1.00 0.00 H new ATOM 0 HD2 ARG A 92 9.354 5.879 5.715 1.00 0.00 H new ATOM 0 HD3 ARG A 92 8.718 4.314 5.247 1.00 0.00 H new ATOM 0 HE ARG A 92 10.999 4.014 7.010 1.00 0.00 H new ATOM 0 HH11 ARG A 92 7.563 4.814 6.903 1.00 0.00 H new ATOM 0 HH12 ARG A 92 7.269 4.287 8.563 1.00 0.00 H new ATOM 0 HH21 ARG A 92 10.614 3.337 9.143 1.00 0.00 H new ATOM 0 HH22 ARG A 92 8.989 3.455 9.826 1.00 0.00 H new ATOM 91 N ALA A 93 8.870 3.270 0.672 1.00 0.00 N ATOM 92 CA ALA A 93 7.740 3.042 -0.219 1.00 0.00 C ATOM 93 C ALA A 93 7.496 1.551 -0.425 1.00 0.00 C ATOM 94 O ALA A 93 6.374 1.067 -0.274 1.00 0.00 O ATOM 95 CB ALA A 93 7.973 3.730 -1.555 1.00 0.00 C ATOM 0 H ALA A 93 9.581 3.899 0.299 1.00 0.00 H new ATOM 0 HA ALA A 93 6.851 3.469 0.246 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.120 3.551 -2.210 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.090 4.802 -1.397 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.876 3.331 -2.017 1.00 0.00 H new ATOM 101 N LYS A 94 8.554 0.825 -0.772 1.00 0.00 N ATOM 102 CA LYS A 94 8.456 -0.612 -0.999 1.00 0.00 C ATOM 103 C LYS A 94 8.009 -1.333 0.268 1.00 0.00 C ATOM 104 O LYS A 94 7.266 -2.312 0.207 1.00 0.00 O ATOM 105 CB LYS A 94 9.803 -1.167 -1.467 1.00 0.00 C ATOM 106 CG LYS A 94 9.722 -1.937 -2.774 1.00 0.00 C ATOM 107 CD LYS A 94 11.087 -2.447 -3.206 1.00 0.00 C ATOM 108 CE LYS A 94 11.134 -2.713 -4.703 1.00 0.00 C ATOM 109 NZ LYS A 94 10.169 -3.772 -5.109 1.00 0.00 N ATOM 0 H LYS A 94 9.490 1.209 -0.902 1.00 0.00 H new ATOM 0 HA LYS A 94 7.710 -0.783 -1.775 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.506 -0.342 -1.584 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.205 -1.821 -0.694 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.038 -2.778 -2.660 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.310 -1.294 -3.552 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.850 -1.716 -2.941 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.322 -3.363 -2.665 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.911 -1.792 -5.243 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.143 -3.013 -4.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.279 -3.972 -6.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.354 -4.638 -4.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.199 -3.447 -4.924 1.00 0.00 H new ATOM 123 N ALA A 95 8.466 -0.842 1.415 1.00 0.00 N ATOM 124 CA ALA A 95 8.110 -1.439 2.696 1.00 0.00 C ATOM 125 C ALA A 95 6.611 -1.331 2.955 1.00 0.00 C ATOM 126 O ALA A 95 5.961 -2.313 3.313 1.00 0.00 O ATOM 127 CB ALA A 95 8.890 -0.776 3.822 1.00 0.00 C ATOM 0 H ALA A 95 9.083 -0.033 1.483 1.00 0.00 H new ATOM 0 HA ALA A 95 8.371 -2.497 2.660 1.00 0.00 H new ATOM 0 HB1 ALA A 95 8.614 -1.232 4.773 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.958 -0.909 3.652 1.00 0.00 H new ATOM 0 HB3 ALA A 95 8.657 0.288 3.849 1.00 0.00 H new ATOM 133 N ALA A 96 6.068 -0.132 2.770 1.00 0.00 N ATOM 134 CA ALA A 96 4.645 0.103 2.982 1.00 0.00 C ATOM 135 C ALA A 96 3.801 -0.789 2.077 1.00 0.00 C ATOM 136 O ALA A 96 2.760 -1.302 2.490 1.00 0.00 O ATOM 137 CB ALA A 96 4.311 1.568 2.742 1.00 0.00 C ATOM 0 H ALA A 96 6.592 0.691 2.474 1.00 0.00 H new ATOM 0 HA ALA A 96 4.410 -0.147 4.017 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.245 1.729 2.904 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.881 2.189 3.433 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.567 1.836 1.717 1.00 0.00 H new ATOM 143 N LYS A 97 4.254 -0.969 0.842 1.00 0.00 N ATOM 144 CA LYS A 97 3.542 -1.799 -0.121 1.00 0.00 C ATOM 145 C LYS A 97 3.480 -3.249 0.350 1.00 0.00 C ATOM 146 O LYS A 97 2.428 -3.885 0.291 1.00 0.00 O ATOM 147 CB LYS A 97 4.222 -1.726 -1.490 1.00 0.00 C ATOM 148 CG LYS A 97 3.350 -1.108 -2.570 1.00 0.00 C ATOM 149 CD LYS A 97 4.122 -0.910 -3.864 1.00 0.00 C ATOM 150 CE LYS A 97 3.779 0.419 -4.519 1.00 0.00 C ATOM 151 NZ LYS A 97 3.571 0.277 -5.986 1.00 0.00 N ATOM 0 H LYS A 97 5.112 -0.550 0.484 1.00 0.00 H new ATOM 0 HA LYS A 97 2.524 -1.419 -0.207 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.140 -1.146 -1.400 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.509 -2.731 -1.798 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.488 -1.749 -2.754 1.00 0.00 H new ATOM 0 HG3 LYS A 97 2.966 -0.148 -2.224 1.00 0.00 H new ATOM 0 HD2 LYS A 97 5.192 -0.951 -3.661 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.897 -1.725 -4.552 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.877 0.827 -4.062 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.581 1.133 -4.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.339 1.205 -6.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.440 -0.088 -6.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 2.789 -0.385 -6.163 1.00 0.00 H new ATOM 165 N GLU A 98 4.612 -3.763 0.819 1.00 0.00 N ATOM 166 CA GLU A 98 4.685 -5.137 1.300 1.00 0.00 C ATOM 167 C GLU A 98 3.682 -5.372 2.427 1.00 0.00 C ATOM 168 O GLU A 98 2.964 -6.372 2.434 1.00 0.00 O ATOM 169 CB GLU A 98 6.100 -5.456 1.788 1.00 0.00 C ATOM 170 CG GLU A 98 6.460 -6.929 1.688 1.00 0.00 C ATOM 171 CD GLU A 98 6.069 -7.710 2.928 1.00 0.00 C ATOM 172 OE1 GLU A 98 6.876 -7.752 3.880 1.00 0.00 O ATOM 173 OE2 GLU A 98 4.958 -8.279 2.946 1.00 0.00 O ATOM 0 H GLU A 98 5.491 -3.249 0.876 1.00 0.00 H new ATOM 0 HA GLU A 98 4.437 -5.799 0.471 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.816 -4.875 1.206 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.198 -5.136 2.825 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.965 -7.362 0.819 1.00 0.00 H new ATOM 0 HG3 GLU A 98 7.533 -7.027 1.525 1.00 0.00 H new ATOM 180 N ARG A 99 3.640 -4.444 3.377 1.00 0.00 N ATOM 181 CA ARG A 99 2.728 -4.551 4.510 1.00 0.00 C ATOM 182 C ARG A 99 1.284 -4.685 4.034 1.00 0.00 C ATOM 183 O ARG A 99 0.511 -5.471 4.580 1.00 0.00 O ATOM 184 CB ARG A 99 2.865 -3.328 5.418 1.00 0.00 C ATOM 185 CG ARG A 99 3.295 -3.668 6.836 1.00 0.00 C ATOM 186 CD ARG A 99 4.379 -2.724 7.331 1.00 0.00 C ATOM 187 NE ARG A 99 3.892 -1.353 7.464 1.00 0.00 N ATOM 188 CZ ARG A 99 3.150 -0.932 8.481 1.00 0.00 C ATOM 189 NH1 ARG A 99 2.811 -1.770 9.451 1.00 0.00 N ATOM 190 NH2 ARG A 99 2.746 0.331 8.531 1.00 0.00 N ATOM 0 H ARG A 99 4.227 -3.610 3.385 1.00 0.00 H new ATOM 0 HA ARG A 99 2.991 -5.446 5.074 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.591 -2.642 4.982 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.910 -2.803 5.453 1.00 0.00 H new ATOM 0 HG2 ARG A 99 2.433 -3.615 7.501 1.00 0.00 H new ATOM 0 HG3 ARG A 99 3.661 -4.694 6.870 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.750 -3.072 8.295 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.221 -2.744 6.639 1.00 0.00 H new ATOM 0 HE ARG A 99 4.136 -0.682 6.735 1.00 0.00 H new ATOM 0 HH11 ARG A 99 3.120 -2.741 9.417 1.00 0.00 H new ATOM 0 HH12 ARG A 99 2.241 -1.443 10.231 1.00 0.00 H new ATOM 0 HH21 ARG A 99 3.006 0.979 7.788 1.00 0.00 H new ATOM 0 HH22 ARG A 99 2.176 0.654 9.313 1.00 0.00 H new ATOM 204 N ALA A 100 0.929 -3.912 3.012 1.00 0.00 N ATOM 205 CA ALA A 100 -0.420 -3.946 2.462 1.00 0.00 C ATOM 206 C ALA A 100 -0.704 -5.283 1.786 1.00 0.00 C ATOM 207 O ALA A 100 -1.822 -5.793 1.846 1.00 0.00 O ATOM 208 CB ALA A 100 -0.618 -2.802 1.478 1.00 0.00 C ATOM 0 H ALA A 100 1.557 -3.255 2.549 1.00 0.00 H new ATOM 0 HA ALA A 100 -1.124 -3.828 3.285 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.630 -2.840 1.075 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.466 -1.852 1.990 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.101 -2.894 0.664 1.00 0.00 H new ATOM 214 N GLU A 101 0.315 -5.844 1.144 1.00 0.00 N ATOM 215 CA GLU A 101 0.173 -7.122 0.455 1.00 0.00 C ATOM 216 C GLU A 101 -0.124 -8.244 1.445 1.00 0.00 C ATOM 217 O GLU A 101 -0.965 -9.106 1.189 1.00 0.00 O ATOM 218 CB GLU A 101 1.444 -7.446 -0.333 1.00 0.00 C ATOM 219 CG GLU A 101 1.747 -6.447 -1.437 1.00 0.00 C ATOM 220 CD GLU A 101 1.014 -6.762 -2.726 1.00 0.00 C ATOM 221 OE1 GLU A 101 1.503 -7.617 -3.493 1.00 0.00 O ATOM 222 OE2 GLU A 101 -0.050 -6.154 -2.967 1.00 0.00 O ATOM 0 H GLU A 101 1.247 -5.435 1.086 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.665 -7.041 -0.238 1.00 0.00 H new ATOM 0 HB2 GLU A 101 2.289 -7.482 0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 101 1.347 -8.440 -0.770 1.00 0.00 H new ATOM 0 HG2 GLU A 101 1.472 -5.447 -1.102 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.820 -6.436 -1.627 1.00 0.00 H new ATOM 229 N ARG A 102 0.572 -8.226 2.577 1.00 0.00 N ATOM 230 CA ARG A 102 0.385 -9.242 3.605 1.00 0.00 C ATOM 231 C ARG A 102 -0.993 -9.116 4.249 1.00 0.00 C ATOM 232 O ARG A 102 -1.629 -10.118 4.577 1.00 0.00 O ATOM 233 CB ARG A 102 1.472 -9.122 4.675 1.00 0.00 C ATOM 234 CG ARG A 102 2.330 -10.369 4.815 1.00 0.00 C ATOM 235 CD ARG A 102 2.239 -10.953 6.216 1.00 0.00 C ATOM 236 NE ARG A 102 2.888 -10.100 7.208 1.00 0.00 N ATOM 237 CZ ARG A 102 2.757 -10.267 8.519 1.00 0.00 C ATOM 238 NH1 ARG A 102 2.006 -11.251 8.994 1.00 0.00 N ATOM 239 NH2 ARG A 102 3.380 -9.449 9.359 1.00 0.00 N ATOM 0 H ARG A 102 1.271 -7.519 2.805 1.00 0.00 H new ATOM 0 HA ARG A 102 0.458 -10.221 3.131 1.00 0.00 H new ATOM 0 HB2 ARG A 102 2.114 -8.275 4.435 1.00 0.00 H new ATOM 0 HB3 ARG A 102 1.003 -8.905 5.635 1.00 0.00 H new ATOM 0 HG2 ARG A 102 2.011 -11.115 4.087 1.00 0.00 H new ATOM 0 HG3 ARG A 102 3.368 -10.125 4.588 1.00 0.00 H new ATOM 0 HD2 ARG A 102 1.191 -11.089 6.485 1.00 0.00 H new ATOM 0 HD3 ARG A 102 2.702 -11.940 6.228 1.00 0.00 H new ATOM 0 HE ARG A 102 3.474 -9.334 6.876 1.00 0.00 H new ATOM 0 HH11 ARG A 102 1.527 -11.882 8.352 1.00 0.00 H new ATOM 0 HH12 ARG A 102 1.907 -11.377 10.001 1.00 0.00 H new ATOM 0 HH21 ARG A 102 3.960 -8.692 8.998 1.00 0.00 H new ATOM 0 HH22 ARG A 102 3.279 -9.578 10.366 1.00 0.00 H new ATOM 253 N ARG A 103 -1.447 -7.880 4.426 1.00 0.00 N ATOM 254 CA ARG A 103 -2.748 -7.624 5.031 1.00 0.00 C ATOM 255 C ARG A 103 -3.875 -8.103 4.121 1.00 0.00 C ATOM 256 O ARG A 103 -4.831 -8.733 4.578 1.00 0.00 O ATOM 257 CB ARG A 103 -2.914 -6.131 5.323 1.00 0.00 C ATOM 258 CG ARG A 103 -2.150 -5.662 6.550 1.00 0.00 C ATOM 259 CD ARG A 103 -2.911 -5.968 7.831 1.00 0.00 C ATOM 260 NE ARG A 103 -2.202 -5.493 9.016 1.00 0.00 N ATOM 261 CZ ARG A 103 -2.185 -4.222 9.401 1.00 0.00 C ATOM 262 NH1 ARG A 103 -2.834 -3.304 8.698 1.00 0.00 N ATOM 263 NH2 ARG A 103 -1.517 -3.867 10.492 1.00 0.00 N ATOM 0 H ARG A 103 -0.933 -7.040 4.159 1.00 0.00 H new ATOM 0 HA ARG A 103 -2.800 -8.179 5.968 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -2.579 -5.561 4.457 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -3.973 -5.912 5.459 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.175 -6.148 6.580 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -1.970 -4.589 6.480 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -3.896 -5.503 7.787 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -3.069 -7.043 7.910 1.00 0.00 H new ATOM 0 HE ARG A 103 -1.692 -6.174 9.578 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -3.348 -3.573 7.859 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -2.819 -2.329 8.996 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -1.016 -4.571 11.035 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -1.504 -2.891 10.787 1.00 0.00 H new ATOM 277 N LEU A 104 -3.758 -7.801 2.833 1.00 0.00 N ATOM 278 CA LEU A 104 -4.767 -8.200 1.859 1.00 0.00 C ATOM 279 C LEU A 104 -4.971 -9.712 1.875 1.00 0.00 C ATOM 280 O LEU A 104 -6.062 -10.203 1.583 1.00 0.00 O ATOM 281 CB LEU A 104 -4.359 -7.744 0.457 1.00 0.00 C ATOM 282 CG LEU A 104 -5.160 -6.581 -0.129 1.00 0.00 C ATOM 283 CD1 LEU A 104 -5.004 -5.337 0.731 1.00 0.00 C ATOM 284 CD2 LEU A 104 -4.721 -6.299 -1.559 1.00 0.00 C ATOM 0 H LEU A 104 -2.974 -7.281 2.439 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.708 -7.722 2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.307 -7.459 0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.444 -8.595 -0.219 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.213 -6.861 -0.140 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.581 -4.520 0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.366 -5.543 1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.952 -5.054 0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.301 -5.468 -1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.662 -6.041 -1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.885 -7.186 -2.171 1.00 0.00 H new ATOM 296 N GLN A 105 -3.916 -10.443 2.219 1.00 0.00 N ATOM 297 CA GLN A 105 -3.981 -11.898 2.274 1.00 0.00 C ATOM 298 C GLN A 105 -4.967 -12.359 3.342 1.00 0.00 C ATOM 299 O GLN A 105 -5.682 -13.343 3.158 1.00 0.00 O ATOM 300 CB GLN A 105 -2.595 -12.481 2.556 1.00 0.00 C ATOM 301 CG GLN A 105 -2.189 -13.580 1.587 1.00 0.00 C ATOM 302 CD GLN A 105 -0.702 -13.876 1.630 1.00 0.00 C ATOM 303 OE1 GLN A 105 0.125 -12.965 1.574 1.00 0.00 O ATOM 304 NE2 GLN A 105 -0.355 -15.153 1.730 1.00 0.00 N ATOM 0 H GLN A 105 -3.006 -10.052 2.464 1.00 0.00 H new ATOM 0 HA GLN A 105 -4.329 -12.258 1.306 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -1.857 -11.680 2.513 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.576 -12.878 3.571 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -2.743 -14.489 1.821 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.468 -13.288 0.575 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -1.074 -15.875 1.773 1.00 0.00 H new ATOM 0 HE22 GLN A 105 0.631 -15.412 1.763 1.00 0.00 H new ATOM 313 N SER A 106 -4.998 -11.641 4.461 1.00 0.00 N ATOM 314 CA SER A 106 -5.893 -11.979 5.561 1.00 0.00 C ATOM 315 C SER A 106 -7.334 -11.609 5.222 1.00 0.00 C ATOM 316 O SER A 106 -7.626 -10.467 4.867 1.00 0.00 O ATOM 317 CB SER A 106 -5.458 -11.260 6.839 1.00 0.00 C ATOM 318 OG SER A 106 -6.479 -11.300 7.821 1.00 0.00 O ATOM 0 H SER A 106 -4.414 -10.822 4.629 1.00 0.00 H new ATOM 0 HA SER A 106 -5.840 -13.056 5.722 1.00 0.00 H new ATOM 0 HB2 SER A 106 -4.554 -11.725 7.231 1.00 0.00 H new ATOM 0 HB3 SER A 106 -5.210 -10.224 6.610 1.00 0.00 H new ATOM 0 HG SER A 106 -6.604 -10.405 8.200 1.00 0.00 H new ATOM 324 N GLN A 107 -8.230 -12.584 5.335 1.00 0.00 N ATOM 325 CA GLN A 107 -9.641 -12.362 5.039 1.00 0.00 C ATOM 326 C GLN A 107 -10.326 -11.620 6.182 1.00 0.00 C ATOM 327 O GLN A 107 -11.309 -10.910 5.973 1.00 0.00 O ATOM 328 CB GLN A 107 -10.347 -13.695 4.787 1.00 0.00 C ATOM 329 CG GLN A 107 -10.912 -13.827 3.382 1.00 0.00 C ATOM 330 CD GLN A 107 -12.415 -14.026 3.373 1.00 0.00 C ATOM 331 OE1 GLN A 107 -13.180 -13.066 3.473 1.00 0.00 O ATOM 332 NE2 GLN A 107 -12.846 -15.276 3.253 1.00 0.00 N ATOM 0 H GLN A 107 -8.005 -13.534 5.629 1.00 0.00 H new ATOM 0 HA GLN A 107 -9.706 -11.749 4.140 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.644 -14.509 4.965 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -11.157 -13.810 5.508 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -10.664 -12.933 2.810 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -10.435 -14.669 2.880 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -12.176 -16.041 3.173 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -13.847 -15.471 3.241 1.00 0.00 H new ATOM 341 N GLN A 108 -9.799 -11.789 7.391 1.00 0.00 N ATOM 342 CA GLN A 108 -10.362 -11.135 8.568 1.00 0.00 C ATOM 343 C GLN A 108 -10.372 -9.620 8.394 1.00 0.00 C ATOM 344 O GLN A 108 -11.203 -8.924 8.979 1.00 0.00 O ATOM 345 CB GLN A 108 -9.564 -11.513 9.817 1.00 0.00 C ATOM 346 CG GLN A 108 -10.360 -12.328 10.822 1.00 0.00 C ATOM 347 CD GLN A 108 -10.434 -13.797 10.455 1.00 0.00 C ATOM 348 OE1 GLN A 108 -9.598 -14.597 10.876 1.00 0.00 O ATOM 349 NE2 GLN A 108 -11.439 -14.160 9.666 1.00 0.00 N ATOM 0 H GLN A 108 -8.984 -12.372 7.581 1.00 0.00 H new ATOM 0 HA GLN A 108 -11.391 -11.475 8.687 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -8.683 -12.081 9.517 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -9.208 -10.603 10.300 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -9.906 -12.226 11.808 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -11.370 -11.924 10.893 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -12.109 -13.463 9.340 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -11.541 -15.135 9.386 1.00 0.00 H new ATOM 358 N ASP A 109 -9.444 -9.115 7.590 1.00 0.00 N ATOM 359 CA ASP A 109 -9.346 -7.681 7.339 1.00 0.00 C ATOM 360 C ASP A 109 -10.265 -7.265 6.196 1.00 0.00 C ATOM 361 O ASP A 109 -9.821 -6.670 5.214 1.00 0.00 O ATOM 362 CB ASP A 109 -7.902 -7.295 7.016 1.00 0.00 C ATOM 363 CG ASP A 109 -7.029 -7.231 8.254 1.00 0.00 C ATOM 364 OD1 ASP A 109 -6.657 -8.304 8.774 1.00 0.00 O ATOM 365 OD2 ASP A 109 -6.716 -6.108 8.701 1.00 0.00 O ATOM 0 H ASP A 109 -8.748 -9.677 7.100 1.00 0.00 H new ATOM 0 HA ASP A 109 -9.660 -7.157 8.242 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -7.483 -8.019 6.317 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -7.891 -6.326 6.517 1.00 0.00 H new ATOM 370 N ASP A 110 -11.548 -7.583 6.329 1.00 0.00 N ATOM 371 CA ASP A 110 -12.530 -7.243 5.306 1.00 0.00 C ATOM 372 C ASP A 110 -12.637 -5.731 5.138 1.00 0.00 C ATOM 373 O ASP A 110 -12.302 -5.189 4.084 1.00 0.00 O ATOM 374 CB ASP A 110 -13.897 -7.826 5.667 1.00 0.00 C ATOM 375 CG ASP A 110 -13.907 -9.342 5.633 1.00 0.00 C ATOM 376 OD1 ASP A 110 -13.954 -9.910 4.522 1.00 0.00 O ATOM 377 OD2 ASP A 110 -13.868 -9.960 6.717 1.00 0.00 O ATOM 0 H ASP A 110 -11.932 -8.076 7.135 1.00 0.00 H new ATOM 0 HA ASP A 110 -12.198 -7.674 4.361 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -14.182 -7.486 6.662 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -14.646 -7.445 4.973 1.00 0.00 H new ATOM 382 N ILE A 111 -13.107 -5.056 6.180 1.00 0.00 N ATOM 383 CA ILE A 111 -13.258 -3.606 6.148 1.00 0.00 C ATOM 384 C ILE A 111 -11.909 -2.917 5.976 1.00 0.00 C ATOM 385 O ILE A 111 -11.817 -1.857 5.355 1.00 0.00 O ATOM 386 CB ILE A 111 -13.931 -3.081 7.430 1.00 0.00 C ATOM 387 CG1 ILE A 111 -14.203 -1.580 7.310 1.00 0.00 C ATOM 388 CG2 ILE A 111 -13.059 -3.372 8.642 1.00 0.00 C ATOM 389 CD1 ILE A 111 -15.222 -1.234 6.248 1.00 0.00 C ATOM 0 H ILE A 111 -13.390 -5.490 7.059 1.00 0.00 H new ATOM 0 HA ILE A 111 -13.894 -3.374 5.293 1.00 0.00 H new ATOM 0 HB ILE A 111 -14.884 -3.595 7.561 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -14.551 -1.204 8.272 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -13.268 -1.066 7.086 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -13.548 -2.995 9.541 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -12.911 -4.448 8.734 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -12.093 -2.882 8.521 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -15.365 -0.154 6.219 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -14.867 -1.579 5.277 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -16.170 -1.719 6.481 1.00 0.00 H new ATOM 401 N ASP A 112 -10.865 -3.526 6.527 1.00 0.00 N ATOM 402 CA ASP A 112 -9.519 -2.973 6.432 1.00 0.00 C ATOM 403 C ASP A 112 -9.082 -2.855 4.976 1.00 0.00 C ATOM 404 O ASP A 112 -8.267 -2.000 4.628 1.00 0.00 O ATOM 405 CB ASP A 112 -8.530 -3.846 7.206 1.00 0.00 C ATOM 406 CG ASP A 112 -7.926 -3.123 8.393 1.00 0.00 C ATOM 407 OD1 ASP A 112 -7.033 -2.275 8.181 1.00 0.00 O ATOM 408 OD2 ASP A 112 -8.347 -3.404 9.535 1.00 0.00 O ATOM 0 H ASP A 112 -10.925 -4.403 7.044 1.00 0.00 H new ATOM 0 HA ASP A 112 -9.531 -1.975 6.871 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -9.038 -4.746 7.553 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -7.733 -4.168 6.536 1.00 0.00 H new ATOM 413 N PHE A 113 -9.627 -3.720 4.127 1.00 0.00 N ATOM 414 CA PHE A 113 -9.292 -3.715 2.708 1.00 0.00 C ATOM 415 C PHE A 113 -9.540 -2.340 2.096 1.00 0.00 C ATOM 416 O PHE A 113 -8.786 -1.885 1.235 1.00 0.00 O ATOM 417 CB PHE A 113 -10.110 -4.772 1.965 1.00 0.00 C ATOM 418 CG PHE A 113 -9.784 -4.864 0.502 1.00 0.00 C ATOM 419 CD1 PHE A 113 -10.390 -4.016 -0.411 1.00 0.00 C ATOM 420 CD2 PHE A 113 -8.871 -5.798 0.039 1.00 0.00 C ATOM 421 CE1 PHE A 113 -10.091 -4.098 -1.758 1.00 0.00 C ATOM 422 CE2 PHE A 113 -8.568 -5.884 -1.306 1.00 0.00 C ATOM 423 CZ PHE A 113 -9.180 -5.033 -2.206 1.00 0.00 C ATOM 0 H PHE A 113 -10.303 -4.434 4.398 1.00 0.00 H new ATOM 0 HA PHE A 113 -8.232 -3.951 2.610 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -9.940 -5.744 2.429 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -11.170 -4.546 2.079 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -11.104 -3.283 -0.066 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -8.391 -6.467 0.738 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -10.570 -3.431 -2.459 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -7.854 -6.616 -1.654 1.00 0.00 H new ATOM 0 HZ PHE A 113 -8.946 -5.099 -3.258 1.00 0.00 H new ATOM 433 N LYS A 114 -10.604 -1.682 2.545 1.00 0.00 N ATOM 434 CA LYS A 114 -10.953 -0.358 2.044 1.00 0.00 C ATOM 435 C LYS A 114 -9.821 0.634 2.290 1.00 0.00 C ATOM 436 O LYS A 114 -9.323 1.265 1.358 1.00 0.00 O ATOM 437 CB LYS A 114 -12.237 0.140 2.711 1.00 0.00 C ATOM 438 CG LYS A 114 -13.274 0.655 1.728 1.00 0.00 C ATOM 439 CD LYS A 114 -14.327 -0.397 1.426 1.00 0.00 C ATOM 440 CE LYS A 114 -15.216 0.022 0.264 1.00 0.00 C ATOM 441 NZ LYS A 114 -16.454 -0.803 0.188 1.00 0.00 N ATOM 0 H LYS A 114 -11.240 -2.045 3.255 1.00 0.00 H new ATOM 0 HA LYS A 114 -11.116 -0.435 0.969 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -12.672 -0.672 3.293 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -11.987 0.936 3.412 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -13.754 1.544 2.137 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -12.782 0.955 0.803 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -13.840 -1.343 1.190 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -14.939 -0.565 2.312 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -15.486 1.072 0.373 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -14.661 -0.069 -0.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -17.033 -0.487 -0.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -16.198 -1.803 0.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -16.997 -0.696 1.069 1.00 0.00 H new ATOM 455 N ARG A 115 -9.420 0.765 3.550 1.00 0.00 N ATOM 456 CA ARG A 115 -8.346 1.680 3.919 1.00 0.00 C ATOM 457 C ARG A 115 -7.066 1.351 3.157 1.00 0.00 C ATOM 458 O ARG A 115 -6.352 2.246 2.707 1.00 0.00 O ATOM 459 CB ARG A 115 -8.087 1.616 5.425 1.00 0.00 C ATOM 460 CG ARG A 115 -8.671 2.789 6.195 1.00 0.00 C ATOM 461 CD ARG A 115 -10.187 2.701 6.278 1.00 0.00 C ATOM 462 NE ARG A 115 -10.635 2.189 7.571 1.00 0.00 N ATOM 463 CZ ARG A 115 -11.836 1.659 7.775 1.00 0.00 C ATOM 464 NH1 ARG A 115 -12.704 1.572 6.777 1.00 0.00 N ATOM 465 NH2 ARG A 115 -12.170 1.215 8.980 1.00 0.00 N ATOM 0 H ARG A 115 -9.822 0.249 4.333 1.00 0.00 H new ATOM 0 HA ARG A 115 -8.657 2.691 3.654 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -8.506 0.690 5.818 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -7.012 1.578 5.599 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -8.251 2.811 7.201 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.386 3.722 5.710 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -10.617 3.688 6.110 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -10.557 2.053 5.483 1.00 0.00 H new ATOM 0 HE ARG A 115 -9.991 2.241 8.360 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -12.451 1.912 5.850 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -13.625 1.165 6.937 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -11.505 1.281 9.750 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -13.092 0.808 9.136 1.00 0.00 H new ATOM 479 N ALA A 116 -6.782 0.060 3.017 1.00 0.00 N ATOM 480 CA ALA A 116 -5.589 -0.388 2.308 1.00 0.00 C ATOM 481 C ALA A 116 -5.619 0.053 0.849 1.00 0.00 C ATOM 482 O ALA A 116 -4.575 0.221 0.220 1.00 0.00 O ATOM 483 CB ALA A 116 -5.456 -1.900 2.403 1.00 0.00 C ATOM 0 H ALA A 116 -7.362 -0.694 3.385 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.721 0.072 2.780 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -4.561 -2.221 1.869 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -5.379 -2.193 3.450 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -6.332 -2.371 1.958 1.00 0.00 H new ATOM 489 N GLU A 117 -6.823 0.239 0.317 1.00 0.00 N ATOM 490 CA GLU A 117 -6.988 0.659 -1.069 1.00 0.00 C ATOM 491 C GLU A 117 -6.654 2.139 -1.233 1.00 0.00 C ATOM 492 O GLU A 117 -5.960 2.530 -2.172 1.00 0.00 O ATOM 493 CB GLU A 117 -8.419 0.393 -1.540 1.00 0.00 C ATOM 494 CG GLU A 117 -8.499 -0.456 -2.797 1.00 0.00 C ATOM 495 CD GLU A 117 -8.230 0.342 -4.058 1.00 0.00 C ATOM 496 OE1 GLU A 117 -7.529 1.372 -3.969 1.00 0.00 O ATOM 497 OE2 GLU A 117 -8.720 -0.063 -5.133 1.00 0.00 O ATOM 0 H GLU A 117 -7.698 0.105 0.825 1.00 0.00 H new ATOM 0 HA GLU A 117 -6.298 0.078 -1.681 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -8.969 -0.104 -0.741 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -8.915 1.346 -1.723 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -7.779 -1.271 -2.727 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -9.488 -0.909 -2.862 1.00 0.00 H new ATOM 504 N LEU A 118 -7.153 2.957 -0.313 1.00 0.00 N ATOM 505 CA LEU A 118 -6.909 4.395 -0.354 1.00 0.00 C ATOM 506 C LEU A 118 -5.427 4.701 -0.166 1.00 0.00 C ATOM 507 O LEU A 118 -4.890 5.621 -0.782 1.00 0.00 O ATOM 508 CB LEU A 118 -7.728 5.102 0.726 1.00 0.00 C ATOM 509 CG LEU A 118 -7.852 6.620 0.589 1.00 0.00 C ATOM 510 CD1 LEU A 118 -9.093 6.984 -0.211 1.00 0.00 C ATOM 511 CD2 LEU A 118 -7.888 7.278 1.960 1.00 0.00 C ATOM 0 H LEU A 118 -7.729 2.649 0.471 1.00 0.00 H new ATOM 0 HA LEU A 118 -7.216 4.763 -1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -8.731 4.675 0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -7.282 4.880 1.695 1.00 0.00 H new ATOM 0 HG LEU A 118 -6.978 6.990 0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -9.165 8.068 -0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -9.027 6.544 -1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -9.978 6.602 0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -7.976 8.358 1.843 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -8.744 6.903 2.521 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -6.970 7.045 2.499 1.00 0.00 H new ATOM 523 N ALA A 119 -4.770 3.922 0.687 1.00 0.00 N ATOM 524 CA ALA A 119 -3.349 4.107 0.952 1.00 0.00 C ATOM 525 C ALA A 119 -2.512 3.764 -0.274 1.00 0.00 C ATOM 526 O ALA A 119 -1.601 4.505 -0.644 1.00 0.00 O ATOM 527 CB ALA A 119 -2.920 3.260 2.141 1.00 0.00 C ATOM 0 H ALA A 119 -5.200 3.156 1.206 1.00 0.00 H new ATOM 0 HA ALA A 119 -3.183 5.158 1.189 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -1.856 3.408 2.328 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.488 3.556 3.023 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -3.108 2.208 1.925 1.00 0.00 H new ATOM 533 N LEU A 120 -2.826 2.635 -0.901 1.00 0.00 N ATOM 534 CA LEU A 120 -2.101 2.193 -2.088 1.00 0.00 C ATOM 535 C LEU A 120 -2.198 3.229 -3.203 1.00 0.00 C ATOM 536 O LEU A 120 -1.262 3.408 -3.982 1.00 0.00 O ATOM 537 CB LEU A 120 -2.651 0.851 -2.574 1.00 0.00 C ATOM 538 CG LEU A 120 -1.711 0.016 -3.443 1.00 0.00 C ATOM 539 CD1 LEU A 120 -1.625 -1.410 -2.921 1.00 0.00 C ATOM 540 CD2 LEU A 120 -2.175 0.026 -4.893 1.00 0.00 C ATOM 0 H LEU A 120 -3.577 2.010 -0.608 1.00 0.00 H new ATOM 0 HA LEU A 120 -1.051 2.073 -1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -2.930 0.259 -1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.565 1.038 -3.138 1.00 0.00 H new ATOM 0 HG LEU A 120 -0.716 0.459 -3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -0.951 -1.989 -3.553 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -1.246 -1.401 -1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.616 -1.864 -2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.494 -0.573 -5.497 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -3.180 -0.392 -4.956 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -2.184 1.050 -5.265 1.00 0.00 H new ATOM 552 N LYS A 121 -3.336 3.911 -3.272 1.00 0.00 N ATOM 553 CA LYS A 121 -3.555 4.933 -4.288 1.00 0.00 C ATOM 554 C LYS A 121 -2.670 6.150 -4.037 1.00 0.00 C ATOM 555 O LYS A 121 -2.028 6.661 -4.954 1.00 0.00 O ATOM 556 CB LYS A 121 -5.026 5.355 -4.309 1.00 0.00 C ATOM 557 CG LYS A 121 -5.590 5.532 -5.708 1.00 0.00 C ATOM 558 CD LYS A 121 -7.108 5.571 -5.698 1.00 0.00 C ATOM 559 CE LYS A 121 -7.630 6.999 -5.748 1.00 0.00 C ATOM 560 NZ LYS A 121 -7.473 7.599 -7.103 1.00 0.00 N ATOM 0 H LYS A 121 -4.121 3.774 -2.636 1.00 0.00 H new ATOM 0 HA LYS A 121 -3.291 4.508 -5.256 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -5.617 4.607 -3.780 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -5.134 6.292 -3.762 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -5.205 6.455 -6.142 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -5.251 4.714 -6.344 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -7.493 5.012 -6.551 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -7.480 5.078 -4.800 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -8.683 7.011 -5.465 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -7.096 7.607 -5.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -8.002 8.493 -7.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -6.466 7.782 -7.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -7.841 6.941 -7.819 1.00 0.00 H new ATOM 574 N ARG A 122 -2.641 6.607 -2.790 1.00 0.00 N ATOM 575 CA ARG A 122 -1.834 7.763 -2.419 1.00 0.00 C ATOM 576 C ARG A 122 -0.351 7.488 -2.651 1.00 0.00 C ATOM 577 O ARG A 122 0.383 8.352 -3.130 1.00 0.00 O ATOM 578 CB ARG A 122 -2.072 8.129 -0.952 1.00 0.00 C ATOM 579 CG ARG A 122 -2.958 9.350 -0.766 1.00 0.00 C ATOM 580 CD ARG A 122 -2.218 10.470 -0.052 1.00 0.00 C ATOM 581 NE ARG A 122 -1.666 10.034 1.227 1.00 0.00 N ATOM 582 CZ ARG A 122 -2.393 9.891 2.330 1.00 0.00 C ATOM 583 NH1 ARG A 122 -3.693 10.149 2.310 1.00 0.00 N ATOM 584 NH2 ARG A 122 -1.818 9.489 3.456 1.00 0.00 N ATOM 0 H ARG A 122 -3.167 6.195 -2.019 1.00 0.00 H new ATOM 0 HA ARG A 122 -2.134 8.601 -3.049 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -2.527 7.279 -0.443 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -1.111 8.311 -0.471 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -3.303 9.702 -1.738 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -3.844 9.075 -0.194 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -1.412 10.835 -0.689 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -2.898 11.306 0.113 1.00 0.00 H new ATOM 0 HE ARG A 122 -0.668 9.828 1.277 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -4.138 10.458 1.446 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -4.248 10.038 3.159 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -0.818 9.290 3.475 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -2.376 9.379 4.303 1.00 0.00 H new ATOM 598 N ALA A 123 0.082 6.279 -2.308 1.00 0.00 N ATOM 599 CA ALA A 123 1.477 5.890 -2.479 1.00 0.00 C ATOM 600 C ALA A 123 1.871 5.898 -3.952 1.00 0.00 C ATOM 601 O ALA A 123 2.930 6.406 -4.318 1.00 0.00 O ATOM 602 CB ALA A 123 1.720 4.516 -1.874 1.00 0.00 C ATOM 0 H ALA A 123 -0.513 5.552 -1.910 1.00 0.00 H new ATOM 0 HA ALA A 123 2.098 6.619 -1.959 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.765 4.239 -2.009 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.486 4.540 -0.810 1.00 0.00 H new ATOM 0 HB3 ALA A 123 1.083 3.783 -2.369 1.00 0.00 H new ATOM 608 N MET A 124 1.012 5.331 -4.794 1.00 0.00 N ATOM 609 CA MET A 124 1.271 5.273 -6.227 1.00 0.00 C ATOM 610 C MET A 124 1.553 6.665 -6.785 1.00 0.00 C ATOM 611 O MET A 124 2.549 6.877 -7.474 1.00 0.00 O ATOM 612 CB MET A 124 0.081 4.650 -6.958 1.00 0.00 C ATOM 613 CG MET A 124 0.474 3.552 -7.933 1.00 0.00 C ATOM 614 SD MET A 124 0.221 4.028 -9.654 1.00 0.00 S ATOM 615 CE MET A 124 1.051 2.687 -10.502 1.00 0.00 C ATOM 0 H MET A 124 0.130 4.905 -4.507 1.00 0.00 H new ATOM 0 HA MET A 124 2.152 4.651 -6.386 1.00 0.00 H new ATOM 0 HB2 MET A 124 -0.613 4.241 -6.223 1.00 0.00 H new ATOM 0 HB3 MET A 124 -0.452 5.432 -7.499 1.00 0.00 H new ATOM 0 HG2 MET A 124 1.522 3.295 -7.782 1.00 0.00 H new ATOM 0 HG3 MET A 124 -0.108 2.656 -7.719 1.00 0.00 H new ATOM 0 HE1 MET A 124 0.981 2.839 -11.579 1.00 0.00 H new ATOM 0 HE2 MET A 124 2.100 2.663 -10.206 1.00 0.00 H new ATOM 0 HE3 MET A 124 0.578 1.741 -10.238 1.00 0.00 H new ATOM 625 N ASN A 125 0.668 7.609 -6.482 1.00 0.00 N ATOM 626 CA ASN A 125 0.821 8.980 -6.955 1.00 0.00 C ATOM 627 C ASN A 125 2.171 9.553 -6.534 1.00 0.00 C ATOM 628 O ASN A 125 2.925 10.066 -7.362 1.00 0.00 O ATOM 629 CB ASN A 125 -0.309 9.858 -6.412 1.00 0.00 C ATOM 630 CG ASN A 125 -1.665 9.457 -6.959 1.00 0.00 C ATOM 631 OD1 ASN A 125 -1.833 8.360 -7.491 1.00 0.00 O ATOM 632 ND2 ASN A 125 -2.642 10.349 -6.831 1.00 0.00 N ATOM 0 H ASN A 125 -0.162 7.450 -5.911 1.00 0.00 H new ATOM 0 HA ASN A 125 0.774 8.970 -8.044 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -0.325 9.793 -5.324 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -0.111 10.899 -6.666 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -3.576 10.136 -7.181 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -2.458 11.247 -6.383 1.00 0.00 H new ATOM 639 N ARG A 126 2.470 9.461 -5.242 1.00 0.00 N ATOM 640 CA ARG A 126 3.729 9.969 -4.712 1.00 0.00 C ATOM 641 C ARG A 126 4.917 9.351 -5.443 1.00 0.00 C ATOM 642 O ARG A 126 5.947 9.999 -5.635 1.00 0.00 O ATOM 643 CB ARG A 126 3.831 9.677 -3.214 1.00 0.00 C ATOM 644 CG ARG A 126 4.849 10.545 -2.491 1.00 0.00 C ATOM 645 CD ARG A 126 4.370 11.983 -2.371 1.00 0.00 C ATOM 646 NE ARG A 126 4.923 12.648 -1.195 1.00 0.00 N ATOM 647 CZ ARG A 126 4.456 12.471 0.036 1.00 0.00 C ATOM 648 NH1 ARG A 126 3.434 11.655 0.251 1.00 0.00 N ATOM 649 NH2 ARG A 126 5.013 13.112 1.056 1.00 0.00 N ATOM 0 H ARG A 126 1.858 9.040 -4.544 1.00 0.00 H new ATOM 0 HA ARG A 126 3.750 11.048 -4.868 1.00 0.00 H new ATOM 0 HB2 ARG A 126 2.852 9.823 -2.757 1.00 0.00 H new ATOM 0 HB3 ARG A 126 4.095 8.629 -3.074 1.00 0.00 H new ATOM 0 HG2 ARG A 126 5.035 10.138 -1.497 1.00 0.00 H new ATOM 0 HG3 ARG A 126 5.797 10.520 -3.028 1.00 0.00 H new ATOM 0 HD2 ARG A 126 4.654 12.535 -3.267 1.00 0.00 H new ATOM 0 HD3 ARG A 126 3.281 11.999 -2.318 1.00 0.00 H new ATOM 0 HE ARG A 126 5.711 13.283 -1.326 1.00 0.00 H new ATOM 0 HH11 ARG A 126 3.003 11.160 -0.530 1.00 0.00 H new ATOM 0 HH12 ARG A 126 3.078 11.522 1.198 1.00 0.00 H new ATOM 0 HH21 ARG A 126 5.800 13.741 0.895 1.00 0.00 H new ATOM 0 HH22 ARG A 126 4.654 12.976 2.001 1.00 0.00 H new ATOM 663 N LEU A 127 4.767 8.095 -5.847 1.00 0.00 N ATOM 664 CA LEU A 127 5.828 7.388 -6.557 1.00 0.00 C ATOM 665 C LEU A 127 6.096 8.031 -7.915 1.00 0.00 C ATOM 666 O LEU A 127 7.246 8.278 -8.280 1.00 0.00 O ATOM 667 CB LEU A 127 5.452 5.917 -6.743 1.00 0.00 C ATOM 668 CG LEU A 127 6.292 4.906 -5.961 1.00 0.00 C ATOM 669 CD1 LEU A 127 5.465 4.266 -4.857 1.00 0.00 C ATOM 670 CD2 LEU A 127 6.853 3.844 -6.895 1.00 0.00 C ATOM 0 H LEU A 127 3.922 7.545 -5.695 1.00 0.00 H new ATOM 0 HA LEU A 127 6.737 7.452 -5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 127 4.408 5.790 -6.457 1.00 0.00 H new ATOM 0 HB3 LEU A 127 5.523 5.676 -7.804 1.00 0.00 H new ATOM 0 HG LEU A 127 7.127 5.434 -5.501 1.00 0.00 H new ATOM 0 HD11 LEU A 127 6.079 3.550 -4.311 1.00 0.00 H new ATOM 0 HD12 LEU A 127 5.113 5.038 -4.172 1.00 0.00 H new ATOM 0 HD13 LEU A 127 4.610 3.751 -5.295 1.00 0.00 H new ATOM 0 HD21 LEU A 127 7.448 3.133 -6.322 1.00 0.00 H new ATOM 0 HD22 LEU A 127 6.032 3.319 -7.384 1.00 0.00 H new ATOM 0 HD23 LEU A 127 7.481 4.318 -7.649 1.00 0.00 H new ATOM 682 N SER A 128 5.028 8.300 -8.658 1.00 0.00 N ATOM 683 CA SER A 128 5.148 8.913 -9.976 1.00 0.00 C ATOM 684 C SER A 128 5.695 10.333 -9.867 1.00 0.00 C ATOM 685 O SER A 128 6.497 10.767 -10.693 1.00 0.00 O ATOM 686 CB SER A 128 3.790 8.930 -10.680 1.00 0.00 C ATOM 687 OG SER A 128 3.333 7.613 -10.937 1.00 0.00 O ATOM 0 H SER A 128 4.069 8.103 -8.370 1.00 0.00 H new ATOM 0 HA SER A 128 5.846 8.317 -10.564 1.00 0.00 H new ATOM 0 HB2 SER A 128 3.063 9.457 -10.062 1.00 0.00 H new ATOM 0 HB3 SER A 128 3.870 9.480 -11.618 1.00 0.00 H new ATOM 0 HG SER A 128 2.463 7.651 -11.386 1.00 0.00 H new ATOM 693 N VAL A 129 5.254 11.053 -8.840 1.00 0.00 N ATOM 694 CA VAL A 129 5.698 12.424 -8.620 1.00 0.00 C ATOM 695 C VAL A 129 7.187 12.474 -8.298 1.00 0.00 C ATOM 696 O VAL A 129 7.886 13.410 -8.685 1.00 0.00 O ATOM 697 CB VAL A 129 4.913 13.093 -7.477 1.00 0.00 C ATOM 698 CG1 VAL A 129 5.389 14.522 -7.266 1.00 0.00 C ATOM 699 CG2 VAL A 129 3.420 13.056 -7.763 1.00 0.00 C ATOM 0 H VAL A 129 4.589 10.709 -8.147 1.00 0.00 H new ATOM 0 HA VAL A 129 5.511 12.969 -9.545 1.00 0.00 H new ATOM 0 HB VAL A 129 5.097 12.535 -6.559 1.00 0.00 H new ATOM 0 HG11 VAL A 129 4.822 14.978 -6.454 1.00 0.00 H new ATOM 0 HG12 VAL A 129 6.449 14.519 -7.012 1.00 0.00 H new ATOM 0 HG13 VAL A 129 5.237 15.095 -8.181 1.00 0.00 H new ATOM 0 HG21 VAL A 129 2.881 13.533 -6.945 1.00 0.00 H new ATOM 0 HG22 VAL A 129 3.214 13.588 -8.692 1.00 0.00 H new ATOM 0 HG23 VAL A 129 3.093 12.020 -7.858 1.00 0.00 H new ATOM 709 N ALA A 130 7.667 11.460 -7.585 1.00 0.00 N ATOM 710 CA ALA A 130 9.074 11.386 -7.211 1.00 0.00 C ATOM 711 C ALA A 130 9.971 11.420 -8.443 1.00 0.00 C ATOM 712 O ALA A 130 10.866 12.259 -8.547 1.00 0.00 O ATOM 713 CB ALA A 130 9.339 10.129 -6.396 1.00 0.00 C ATOM 0 H ALA A 130 7.101 10.678 -7.255 1.00 0.00 H new ATOM 0 HA ALA A 130 9.308 12.257 -6.599 1.00 0.00 H new ATOM 0 HB1 ALA A 130 10.394 10.087 -6.124 1.00 0.00 H new ATOM 0 HB2 ALA A 130 8.731 10.147 -5.491 1.00 0.00 H new ATOM 0 HB3 ALA A 130 9.082 9.251 -6.988 1.00 0.00 H new ATOM 719 N GLU A 131 9.727 10.502 -9.373 1.00 0.00 N ATOM 720 CA GLU A 131 10.515 10.427 -10.597 1.00 0.00 C ATOM 721 C GLU A 131 10.582 11.788 -11.285 1.00 0.00 C ATOM 722 O GLU A 131 11.658 12.364 -11.442 1.00 0.00 O ATOM 723 CB GLU A 131 9.920 9.389 -11.551 1.00 0.00 C ATOM 724 CG GLU A 131 10.259 7.956 -11.179 1.00 0.00 C ATOM 725 CD GLU A 131 9.782 6.956 -12.214 1.00 0.00 C ATOM 726 OE1 GLU A 131 10.449 6.826 -13.263 1.00 0.00 O ATOM 727 OE2 GLU A 131 8.744 6.305 -11.978 1.00 0.00 O ATOM 0 H GLU A 131 8.990 9.800 -9.302 1.00 0.00 H new ATOM 0 HA GLU A 131 11.527 10.124 -10.329 1.00 0.00 H new ATOM 0 HB2 GLU A 131 8.836 9.504 -11.570 1.00 0.00 H new ATOM 0 HB3 GLU A 131 10.279 9.588 -12.561 1.00 0.00 H new ATOM 0 HG2 GLU A 131 11.338 7.862 -11.058 1.00 0.00 H new ATOM 0 HG3 GLU A 131 9.809 7.719 -10.215 1.00 0.00 H new ATOM 734 N MET A 132 9.423 12.294 -11.695 1.00 0.00 N ATOM 735 CA MET A 132 9.350 13.587 -12.366 1.00 0.00 C ATOM 736 C MET A 132 9.104 14.708 -11.361 1.00 0.00 C ATOM 737 O MET A 132 8.305 15.612 -11.607 1.00 0.00 O ATOM 738 CB MET A 132 8.239 13.577 -13.418 1.00 0.00 C ATOM 739 CG MET A 132 8.566 12.733 -14.639 1.00 0.00 C ATOM 740 SD MET A 132 8.962 13.732 -16.087 1.00 0.00 S ATOM 741 CE MET A 132 10.750 13.624 -16.095 1.00 0.00 C ATOM 0 H MET A 132 8.523 11.829 -11.575 1.00 0.00 H new ATOM 0 HA MET A 132 10.306 13.768 -12.858 1.00 0.00 H new ATOM 0 HB2 MET A 132 7.322 13.203 -12.963 1.00 0.00 H new ATOM 0 HB3 MET A 132 8.042 14.601 -13.736 1.00 0.00 H new ATOM 0 HG2 MET A 132 9.409 12.081 -14.410 1.00 0.00 H new ATOM 0 HG3 MET A 132 7.718 12.088 -14.868 1.00 0.00 H new ATOM 0 HE1 MET A 132 11.145 14.194 -16.936 1.00 0.00 H new ATOM 0 HE2 MET A 132 11.143 14.032 -15.164 1.00 0.00 H new ATOM 0 HE3 MET A 132 11.051 12.581 -16.190 1.00 0.00 H new ATOM 751 N LYS A 133 9.796 14.643 -10.229 1.00 0.00 N ATOM 752 CA LYS A 133 9.655 15.653 -9.187 1.00 0.00 C ATOM 753 C LYS A 133 10.007 17.038 -9.720 1.00 0.00 C ATOM 754 O LYS A 133 10.897 17.183 -10.558 1.00 0.00 O ATOM 755 CB LYS A 133 10.549 15.311 -7.993 1.00 0.00 C ATOM 756 CG LYS A 133 12.023 15.212 -8.345 1.00 0.00 C ATOM 757 CD LYS A 133 12.855 16.203 -7.548 1.00 0.00 C ATOM 758 CE LYS A 133 14.344 15.966 -7.746 1.00 0.00 C ATOM 759 NZ LYS A 133 15.078 15.937 -6.450 1.00 0.00 N ATOM 0 H LYS A 133 10.461 13.901 -10.010 1.00 0.00 H new ATOM 0 HA LYS A 133 8.614 15.662 -8.863 1.00 0.00 H new ATOM 0 HB2 LYS A 133 10.418 16.071 -7.223 1.00 0.00 H new ATOM 0 HB3 LYS A 133 10.222 14.364 -7.565 1.00 0.00 H new ATOM 0 HG2 LYS A 133 12.377 14.200 -8.151 1.00 0.00 H new ATOM 0 HG3 LYS A 133 12.157 15.398 -9.411 1.00 0.00 H new ATOM 0 HD2 LYS A 133 12.603 17.219 -7.853 1.00 0.00 H new ATOM 0 HD3 LYS A 133 12.609 16.118 -6.489 1.00 0.00 H new ATOM 0 HE2 LYS A 133 14.495 15.022 -8.270 1.00 0.00 H new ATOM 0 HE3 LYS A 133 14.756 16.752 -8.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 16.090 15.773 -6.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 14.955 16.847 -5.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 14.702 15.171 -5.855 1.00 0.00 H new