USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 406 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 86:sc= 0.69 USER MOD Single : A 98 SER OG : rot 180:sc= 0.265 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.0044) USER MOD Single : A 105 MET CE :methyl 146:sc= -1.93 (180deg=-3.52!) USER MOD Single : A 111 SER OG : rot 180:sc=-0.00111 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot -137:sc= 0.444 USER MOD Single : A 131 ASN : amide:sc= -2.22 K(o=-2.2,f=-10!) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N ILE A 81 11.590 -1.038 1.368 1.00 0.00 N ATOM 40 CA ILE A 81 10.344 -1.702 0.872 1.00 0.00 C ATOM 41 C ILE A 81 9.095 -0.915 1.284 1.00 0.00 C ATOM 42 O ILE A 81 8.137 -1.499 1.723 1.00 0.00 O ATOM 43 CB ILE A 81 10.361 -3.111 1.528 1.00 0.00 C ATOM 44 CG1 ILE A 81 9.279 -4.058 0.924 1.00 0.00 C ATOM 45 CG2 ILE A 81 10.133 -2.985 3.043 1.00 0.00 C ATOM 46 CD1 ILE A 81 9.289 -3.993 -0.608 1.00 0.00 C ATOM 0 HA ILE A 81 10.314 -1.756 -0.216 1.00 0.00 H new ATOM 0 HB ILE A 81 11.339 -3.548 1.326 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.463 -5.082 1.250 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.294 -3.777 1.298 1.00 0.00 H new ATOM 0 HG21 ILE A 81 10.146 -3.976 3.497 1.00 0.00 H new ATOM 0 HG22 ILE A 81 10.924 -2.375 3.480 1.00 0.00 H new ATOM 0 HG23 ILE A 81 9.167 -2.514 3.228 1.00 0.00 H new ATOM 0 HD11 ILE A 81 8.526 -4.662 -1.006 1.00 0.00 H new ATOM 0 HD12 ILE A 81 9.081 -2.973 -0.930 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.268 -4.298 -0.979 1.00 0.00 H new ATOM 58 N ILE A 82 9.085 0.390 1.139 1.00 0.00 N ATOM 59 CA ILE A 82 7.856 1.156 1.507 1.00 0.00 C ATOM 60 C ILE A 82 7.278 1.790 0.249 1.00 0.00 C ATOM 61 O ILE A 82 7.937 1.864 -0.762 1.00 0.00 O ATOM 62 CB ILE A 82 8.279 2.231 2.519 1.00 0.00 C ATOM 63 CG1 ILE A 82 8.918 1.561 3.741 1.00 0.00 C ATOM 64 CG2 ILE A 82 7.045 3.030 2.970 1.00 0.00 C ATOM 65 CD1 ILE A 82 9.595 2.618 4.622 1.00 0.00 C ATOM 0 H ILE A 82 9.863 0.948 0.787 1.00 0.00 H new ATOM 0 HA ILE A 82 7.092 0.514 1.947 1.00 0.00 H new ATOM 0 HB ILE A 82 8.998 2.902 2.050 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.158 1.030 4.314 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.650 0.820 3.419 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.348 3.792 3.688 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.585 3.508 2.105 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.326 2.357 3.437 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.047 2.135 5.488 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.368 3.130 4.048 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.852 3.342 4.957 1.00 0.00 H new ATOM 77 N VAL A 83 6.059 2.255 0.312 1.00 0.00 N ATOM 78 CA VAL A 83 5.423 2.913 -0.871 1.00 0.00 C ATOM 79 C VAL A 83 4.543 4.067 -0.392 1.00 0.00 C ATOM 80 O VAL A 83 4.288 4.217 0.788 1.00 0.00 O ATOM 81 CB VAL A 83 4.539 1.864 -1.576 1.00 0.00 C ATOM 82 CG1 VAL A 83 5.395 0.819 -2.293 1.00 0.00 C ATOM 83 CG2 VAL A 83 3.628 1.165 -0.563 1.00 0.00 C ATOM 0 H VAL A 83 5.468 2.207 1.142 1.00 0.00 H new ATOM 0 HA VAL A 83 6.184 3.297 -1.551 1.00 0.00 H new ATOM 0 HB VAL A 83 3.929 2.386 -2.313 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.747 0.091 -2.782 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.018 1.310 -3.041 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.031 0.310 -1.568 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.011 0.428 -1.077 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.237 0.666 0.191 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.987 1.903 -0.081 1.00 0.00 H new ATOM 93 N VAL A 84 4.053 4.862 -1.303 1.00 0.00 N ATOM 94 CA VAL A 84 3.162 5.988 -0.922 1.00 0.00 C ATOM 95 C VAL A 84 1.940 5.980 -1.843 1.00 0.00 C ATOM 96 O VAL A 84 2.070 5.919 -3.056 1.00 0.00 O ATOM 97 CB VAL A 84 4.014 7.268 -1.080 1.00 0.00 C ATOM 98 CG1 VAL A 84 4.131 7.682 -2.555 1.00 0.00 C ATOM 99 CG2 VAL A 84 3.361 8.409 -0.297 1.00 0.00 C ATOM 0 H VAL A 84 4.235 4.777 -2.303 1.00 0.00 H new ATOM 0 HA VAL A 84 2.787 5.919 0.099 1.00 0.00 H new ATOM 0 HB VAL A 84 5.013 7.061 -0.697 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.736 8.585 -2.632 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.603 6.879 -3.122 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.137 7.875 -2.959 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.959 9.314 -0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.358 8.588 -0.684 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.300 8.139 0.757 1.00 0.00 H new ATOM 109 N ALA A 85 0.766 6.031 -1.284 1.00 0.00 N ATOM 110 CA ALA A 85 -0.453 6.031 -2.132 1.00 0.00 C ATOM 111 C ALA A 85 -0.567 7.376 -2.830 1.00 0.00 C ATOM 112 O ALA A 85 -0.666 8.405 -2.182 1.00 0.00 O ATOM 113 CB ALA A 85 -1.621 5.836 -1.173 1.00 0.00 C ATOM 0 H ALA A 85 0.599 6.073 -0.279 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.432 5.252 -2.894 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.555 5.826 -1.735 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.505 4.889 -0.646 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.640 6.653 -0.452 1.00 0.00 H new ATOM 119 N LEU A 86 -0.559 7.369 -4.141 1.00 0.00 N ATOM 120 CA LEU A 86 -0.660 8.646 -4.905 1.00 0.00 C ATOM 121 C LEU A 86 -2.110 8.943 -5.280 1.00 0.00 C ATOM 122 O LEU A 86 -2.388 9.942 -5.913 1.00 0.00 O ATOM 123 CB LEU A 86 0.148 8.420 -6.181 1.00 0.00 C ATOM 124 CG LEU A 86 1.623 8.217 -5.834 1.00 0.00 C ATOM 125 CD1 LEU A 86 2.356 7.638 -7.048 1.00 0.00 C ATOM 126 CD2 LEU A 86 2.249 9.563 -5.452 1.00 0.00 C ATOM 0 H LEU A 86 -0.486 6.529 -4.715 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.294 9.486 -4.315 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.233 7.548 -6.713 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.037 9.275 -6.848 1.00 0.00 H new ATOM 0 HG LEU A 86 1.708 7.527 -4.994 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.408 7.493 -6.803 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.911 6.681 -7.319 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.271 8.328 -7.887 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.301 9.418 -5.205 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.165 10.254 -6.291 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.727 9.975 -4.589 1.00 0.00 H new ATOM 138 N TYR A 87 -3.036 8.090 -4.906 1.00 0.00 N ATOM 139 CA TYR A 87 -4.474 8.339 -5.241 1.00 0.00 C ATOM 140 C TYR A 87 -5.345 7.672 -4.174 1.00 0.00 C ATOM 141 O TYR A 87 -4.941 6.709 -3.546 1.00 0.00 O ATOM 142 CB TYR A 87 -4.720 7.709 -6.622 1.00 0.00 C ATOM 143 CG TYR A 87 -3.710 8.226 -7.622 1.00 0.00 C ATOM 144 CD1 TYR A 87 -3.911 9.459 -8.256 1.00 0.00 C ATOM 145 CD2 TYR A 87 -2.562 7.476 -7.899 1.00 0.00 C ATOM 146 CE1 TYR A 87 -2.962 9.938 -9.168 1.00 0.00 C ATOM 147 CE2 TYR A 87 -1.615 7.954 -8.810 1.00 0.00 C ATOM 148 CZ TYR A 87 -1.814 9.185 -9.446 1.00 0.00 C ATOM 149 OH TYR A 87 -0.881 9.655 -10.346 1.00 0.00 O ATOM 0 H TYR A 87 -2.857 7.233 -4.383 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.717 9.401 -5.265 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.650 6.624 -6.552 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.729 7.942 -6.961 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -4.796 10.039 -8.042 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.407 6.526 -7.408 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -3.115 10.889 -9.657 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -0.730 7.373 -9.023 1.00 0.00 H new ATOM 0 HH TYR A 87 -0.146 9.011 -10.422 1.00 0.00 H new ATOM 159 N ASP A 88 -6.519 8.192 -3.948 1.00 0.00 N ATOM 160 CA ASP A 88 -7.415 7.607 -2.902 1.00 0.00 C ATOM 161 C ASP A 88 -7.919 6.220 -3.331 1.00 0.00 C ATOM 162 O ASP A 88 -8.163 5.977 -4.498 1.00 0.00 O ATOM 163 CB ASP A 88 -8.584 8.588 -2.780 1.00 0.00 C ATOM 164 CG ASP A 88 -8.131 9.830 -2.007 1.00 0.00 C ATOM 165 OD1 ASP A 88 -7.397 9.670 -1.045 1.00 0.00 O ATOM 166 OD2 ASP A 88 -8.526 10.918 -2.391 1.00 0.00 O ATOM 0 H ASP A 88 -6.901 8.999 -4.442 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.895 7.471 -1.954 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.938 8.873 -3.771 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.420 8.112 -2.267 1.00 0.00 H new ATOM 171 N TYR A 89 -8.084 5.314 -2.394 1.00 0.00 N ATOM 172 CA TYR A 89 -8.584 3.942 -2.748 1.00 0.00 C ATOM 173 C TYR A 89 -9.328 3.317 -1.562 1.00 0.00 C ATOM 174 O TYR A 89 -8.793 3.205 -0.475 1.00 0.00 O ATOM 175 CB TYR A 89 -7.337 3.112 -3.085 1.00 0.00 C ATOM 176 CG TYR A 89 -7.771 1.741 -3.561 1.00 0.00 C ATOM 177 CD1 TYR A 89 -8.248 1.572 -4.869 1.00 0.00 C ATOM 178 CD2 TYR A 89 -7.719 0.645 -2.688 1.00 0.00 C ATOM 179 CE1 TYR A 89 -8.670 0.307 -5.304 1.00 0.00 C ATOM 180 CE2 TYR A 89 -8.145 -0.619 -3.122 1.00 0.00 C ATOM 181 CZ TYR A 89 -8.619 -0.788 -4.430 1.00 0.00 C ATOM 182 OH TYR A 89 -9.037 -2.032 -4.858 1.00 0.00 O ATOM 0 H TYR A 89 -7.895 5.463 -1.403 1.00 0.00 H new ATOM 0 HA TYR A 89 -9.282 3.979 -3.584 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.750 3.610 -3.857 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.697 3.021 -2.207 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.290 2.416 -5.541 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.351 0.774 -1.681 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.034 0.177 -6.312 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.108 -1.462 -2.448 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.293 -2.493 -5.299 1.00 0.00 H new ATOM 192 N GLU A 90 -10.552 2.894 -1.770 1.00 0.00 N ATOM 193 CA GLU A 90 -11.329 2.263 -0.662 1.00 0.00 C ATOM 194 C GLU A 90 -11.186 0.743 -0.723 1.00 0.00 C ATOM 195 O GLU A 90 -11.297 0.141 -1.776 1.00 0.00 O ATOM 196 CB GLU A 90 -12.784 2.676 -0.898 1.00 0.00 C ATOM 197 CG GLU A 90 -13.557 2.596 0.423 1.00 0.00 C ATOM 198 CD GLU A 90 -12.987 3.608 1.423 1.00 0.00 C ATOM 199 OE1 GLU A 90 -12.536 4.653 0.987 1.00 0.00 O ATOM 200 OE2 GLU A 90 -13.009 3.315 2.607 1.00 0.00 O ATOM 0 H GLU A 90 -11.045 2.960 -2.661 1.00 0.00 H new ATOM 0 HA GLU A 90 -10.976 2.580 0.319 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.826 3.690 -1.296 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.243 2.023 -1.641 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -14.614 2.799 0.249 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -13.490 1.588 0.833 1.00 0.00 H new ATOM 207 N ALA A 91 -10.934 0.114 0.401 1.00 0.00 N ATOM 208 CA ALA A 91 -10.774 -1.376 0.417 1.00 0.00 C ATOM 209 C ALA A 91 -11.989 -2.058 -0.217 1.00 0.00 C ATOM 210 O ALA A 91 -13.016 -1.445 -0.436 1.00 0.00 O ATOM 211 CB ALA A 91 -10.655 -1.760 1.893 1.00 0.00 C ATOM 0 H ALA A 91 -10.832 0.568 1.309 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.902 -1.692 -0.156 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -10.535 -2.840 1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.789 -1.263 2.330 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -11.556 -1.451 2.423 1.00 0.00 H new ATOM 285 N ASP A 96 -7.973 -6.268 2.436 1.00 0.00 N ATOM 286 CA ASP A 96 -7.858 -5.064 1.555 1.00 0.00 C ATOM 287 C ASP A 96 -7.813 -3.798 2.419 1.00 0.00 C ATOM 288 O ASP A 96 -8.669 -3.587 3.259 1.00 0.00 O ATOM 289 CB ASP A 96 -9.113 -5.082 0.686 1.00 0.00 C ATOM 290 CG ASP A 96 -8.749 -4.657 -0.740 1.00 0.00 C ATOM 291 OD1 ASP A 96 -8.288 -3.539 -0.902 1.00 0.00 O ATOM 292 OD2 ASP A 96 -8.936 -5.458 -1.641 1.00 0.00 O ATOM 0 HA ASP A 96 -6.953 -5.074 0.948 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.550 -6.080 0.680 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.864 -4.408 1.098 1.00 0.00 H new ATOM 297 N LEU A 97 -6.816 -2.967 2.236 1.00 0.00 N ATOM 298 CA LEU A 97 -6.708 -1.728 3.067 1.00 0.00 C ATOM 299 C LEU A 97 -7.008 -0.471 2.244 1.00 0.00 C ATOM 300 O LEU A 97 -6.599 -0.348 1.104 1.00 0.00 O ATOM 301 CB LEU A 97 -5.262 -1.716 3.555 1.00 0.00 C ATOM 302 CG LEU A 97 -5.062 -0.545 4.523 1.00 0.00 C ATOM 303 CD1 LEU A 97 -4.154 -0.980 5.672 1.00 0.00 C ATOM 304 CD2 LEU A 97 -4.416 0.626 3.780 1.00 0.00 C ATOM 0 H LEU A 97 -6.074 -3.093 1.548 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.428 -1.728 3.886 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.026 -2.657 4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.582 -1.623 2.709 1.00 0.00 H new ATOM 0 HG LEU A 97 -6.028 -0.236 4.921 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.013 -0.146 6.360 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.613 -1.814 6.203 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.188 -1.290 5.275 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.273 1.459 4.468 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.450 0.316 3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.063 0.939 2.961 1.00 0.00 H new ATOM 316 N SER A 98 -7.717 0.466 2.826 1.00 0.00 N ATOM 317 CA SER A 98 -8.054 1.731 2.104 1.00 0.00 C ATOM 318 C SER A 98 -7.045 2.829 2.442 1.00 0.00 C ATOM 319 O SER A 98 -6.923 3.240 3.581 1.00 0.00 O ATOM 320 CB SER A 98 -9.433 2.134 2.619 1.00 0.00 C ATOM 321 OG SER A 98 -10.230 0.974 2.829 1.00 0.00 O ATOM 0 H SER A 98 -8.079 0.407 3.778 1.00 0.00 H new ATOM 0 HA SER A 98 -8.035 1.590 1.023 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.334 2.691 3.550 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.920 2.795 1.902 1.00 0.00 H new ATOM 0 HG SER A 98 -11.113 1.239 3.161 1.00 0.00 H new ATOM 327 N PHE A 99 -6.340 3.320 1.459 1.00 0.00 N ATOM 328 CA PHE A 99 -5.346 4.417 1.712 1.00 0.00 C ATOM 329 C PHE A 99 -5.808 5.714 1.030 1.00 0.00 C ATOM 330 O PHE A 99 -6.929 5.803 0.558 1.00 0.00 O ATOM 331 CB PHE A 99 -3.997 3.927 1.156 1.00 0.00 C ATOM 332 CG PHE A 99 -4.131 3.375 -0.251 1.00 0.00 C ATOM 333 CD1 PHE A 99 -4.294 4.247 -1.333 1.00 0.00 C ATOM 334 CD2 PHE A 99 -4.062 1.993 -0.472 1.00 0.00 C ATOM 335 CE1 PHE A 99 -4.391 3.741 -2.635 1.00 0.00 C ATOM 336 CE2 PHE A 99 -4.154 1.484 -1.774 1.00 0.00 C ATOM 337 CZ PHE A 99 -4.319 2.360 -2.857 1.00 0.00 C ATOM 0 H PHE A 99 -6.405 3.012 0.489 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.252 4.640 2.775 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.284 4.751 1.156 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.593 3.156 1.812 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.345 5.312 -1.164 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.938 1.319 0.363 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.521 4.416 -3.468 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.098 0.419 -1.944 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.390 1.970 -3.862 1.00 0.00 H new ATOM 347 N GLN A 100 -4.976 6.733 1.008 1.00 0.00 N ATOM 348 CA GLN A 100 -5.399 8.032 0.391 1.00 0.00 C ATOM 349 C GLN A 100 -4.442 8.491 -0.720 1.00 0.00 C ATOM 350 O GLN A 100 -3.503 7.815 -1.084 1.00 0.00 O ATOM 351 CB GLN A 100 -5.405 9.037 1.549 1.00 0.00 C ATOM 352 CG GLN A 100 -6.783 9.695 1.651 1.00 0.00 C ATOM 353 CD GLN A 100 -7.038 10.122 3.097 1.00 0.00 C ATOM 354 OE1 GLN A 100 -7.274 9.295 3.954 1.00 0.00 O ATOM 355 NE2 GLN A 100 -6.999 11.391 3.406 1.00 0.00 N ATOM 0 H GLN A 100 -4.030 6.720 1.388 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.373 7.937 -0.089 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.162 8.532 2.484 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.639 9.796 1.389 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.834 10.561 0.991 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.555 8.999 1.325 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -6.801 12.085 2.686 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -7.167 11.687 4.368 1.00 0.00 H new ATOM 364 N LYS A 101 -4.733 9.631 -1.282 1.00 0.00 N ATOM 365 CA LYS A 101 -3.922 10.187 -2.416 1.00 0.00 C ATOM 366 C LYS A 101 -2.458 10.466 -2.090 1.00 0.00 C ATOM 367 O LYS A 101 -1.627 10.540 -2.976 1.00 0.00 O ATOM 368 CB LYS A 101 -4.621 11.480 -2.787 1.00 0.00 C ATOM 369 CG LYS A 101 -4.090 11.966 -4.127 1.00 0.00 C ATOM 370 CD LYS A 101 -5.227 12.609 -4.917 1.00 0.00 C ATOM 371 CE LYS A 101 -6.203 11.523 -5.388 1.00 0.00 C ATOM 372 NZ LYS A 101 -7.382 12.267 -5.919 1.00 0.00 N ATOM 0 H LYS A 101 -5.517 10.219 -1.000 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.876 9.450 -3.218 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.698 11.322 -2.844 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.450 12.234 -2.019 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.286 12.686 -3.973 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.668 11.132 -4.688 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.749 13.337 -4.296 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.827 13.150 -5.775 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.753 10.895 -6.157 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.488 10.866 -4.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.094 11.591 -6.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.793 12.851 -5.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.081 12.879 -6.704 1.00 0.00 H new ATOM 386 N GLY A 102 -2.142 10.651 -0.857 1.00 0.00 N ATOM 387 CA GLY A 102 -0.727 10.952 -0.472 1.00 0.00 C ATOM 388 C GLY A 102 -0.400 10.226 0.824 1.00 0.00 C ATOM 389 O GLY A 102 0.228 10.770 1.711 1.00 0.00 O ATOM 0 H GLY A 102 -2.800 10.609 -0.079 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -0.047 10.636 -1.263 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.592 12.026 -0.346 1.00 0.00 H new ATOM 393 N ASP A 103 -0.837 9.004 0.938 1.00 0.00 N ATOM 394 CA ASP A 103 -0.567 8.227 2.198 1.00 0.00 C ATOM 395 C ASP A 103 0.739 7.431 2.105 1.00 0.00 C ATOM 396 O ASP A 103 1.298 7.254 1.046 1.00 0.00 O ATOM 397 CB ASP A 103 -1.754 7.280 2.367 1.00 0.00 C ATOM 398 CG ASP A 103 -2.853 7.979 3.173 1.00 0.00 C ATOM 399 OD1 ASP A 103 -3.013 9.178 3.006 1.00 0.00 O ATOM 400 OD2 ASP A 103 -3.517 7.304 3.942 1.00 0.00 O ATOM 0 H ASP A 103 -1.367 8.505 0.223 1.00 0.00 H new ATOM 0 HA ASP A 103 -0.455 8.900 3.048 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.137 6.982 1.391 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -1.437 6.370 2.876 1.00 0.00 H new ATOM 405 N GLN A 104 1.205 6.922 3.217 1.00 0.00 N ATOM 406 CA GLN A 104 2.443 6.104 3.221 1.00 0.00 C ATOM 407 C GLN A 104 2.140 4.718 3.769 1.00 0.00 C ATOM 408 O GLN A 104 1.575 4.566 4.835 1.00 0.00 O ATOM 409 CB GLN A 104 3.426 6.831 4.136 1.00 0.00 C ATOM 410 CG GLN A 104 4.273 7.800 3.311 1.00 0.00 C ATOM 411 CD GLN A 104 5.685 7.858 3.902 1.00 0.00 C ATOM 412 OE1 GLN A 104 6.145 8.905 4.311 1.00 0.00 O ATOM 413 NE2 GLN A 104 6.391 6.761 3.969 1.00 0.00 N ATOM 0 H GLN A 104 0.770 7.043 4.132 1.00 0.00 H new ATOM 0 HA GLN A 104 2.852 5.982 2.218 1.00 0.00 H new ATOM 0 HB2 GLN A 104 2.884 7.374 4.910 1.00 0.00 H new ATOM 0 HB3 GLN A 104 4.069 6.111 4.642 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.313 7.474 2.272 1.00 0.00 H new ATOM 0 HG3 GLN A 104 3.822 8.792 3.316 1.00 0.00 H new ATOM 0 HE21 GLN A 104 6.003 5.883 3.625 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.331 6.783 4.365 1.00 0.00 H new ATOM 422 N MET A 105 2.524 3.713 3.043 1.00 0.00 N ATOM 423 CA MET A 105 2.288 2.317 3.493 1.00 0.00 C ATOM 424 C MET A 105 3.546 1.514 3.219 1.00 0.00 C ATOM 425 O MET A 105 4.280 1.812 2.302 1.00 0.00 O ATOM 426 CB MET A 105 1.121 1.811 2.641 1.00 0.00 C ATOM 427 CG MET A 105 -0.135 2.653 2.922 1.00 0.00 C ATOM 428 SD MET A 105 -0.427 3.813 1.556 1.00 0.00 S ATOM 429 CE MET A 105 -0.658 2.578 0.254 1.00 0.00 C ATOM 0 H MET A 105 2.998 3.799 2.144 1.00 0.00 H new ATOM 0 HA MET A 105 2.058 2.235 4.555 1.00 0.00 H new ATOM 0 HB2 MET A 105 1.379 1.869 1.584 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.924 0.762 2.864 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.999 2.001 3.046 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.013 3.202 3.856 1.00 0.00 H new ATOM 0 HE1 MET A 105 -1.392 2.941 -0.465 1.00 0.00 H new ATOM 0 HE2 MET A 105 0.291 2.402 -0.253 1.00 0.00 H new ATOM 0 HE3 MET A 105 -1.012 1.646 0.695 1.00 0.00 H new ATOM 439 N VAL A 106 3.810 0.511 4.001 1.00 0.00 N ATOM 440 CA VAL A 106 5.033 -0.299 3.767 1.00 0.00 C ATOM 441 C VAL A 106 4.653 -1.508 2.928 1.00 0.00 C ATOM 442 O VAL A 106 3.538 -1.973 2.974 1.00 0.00 O ATOM 443 CB VAL A 106 5.544 -0.734 5.150 1.00 0.00 C ATOM 444 CG1 VAL A 106 6.956 -1.314 5.011 1.00 0.00 C ATOM 445 CG2 VAL A 106 5.584 0.469 6.109 1.00 0.00 C ATOM 0 H VAL A 106 3.235 0.217 4.790 1.00 0.00 H new ATOM 0 HA VAL A 106 5.807 0.258 3.239 1.00 0.00 H new ATOM 0 HB VAL A 106 4.868 -1.488 5.554 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.320 -1.623 5.991 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.931 -2.176 4.344 1.00 0.00 H new ATOM 0 HG13 VAL A 106 7.622 -0.556 4.599 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.948 0.145 7.084 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.251 1.232 5.708 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.581 0.883 6.215 1.00 0.00 H new ATOM 455 N VAL A 107 5.571 -2.025 2.175 1.00 0.00 N ATOM 456 CA VAL A 107 5.265 -3.214 1.327 1.00 0.00 C ATOM 457 C VAL A 107 5.655 -4.481 2.094 1.00 0.00 C ATOM 458 O VAL A 107 6.716 -4.573 2.680 1.00 0.00 O ATOM 459 CB VAL A 107 6.089 -3.024 0.034 1.00 0.00 C ATOM 460 CG1 VAL A 107 6.146 -4.324 -0.775 1.00 0.00 C ATOM 461 CG2 VAL A 107 5.426 -1.948 -0.826 1.00 0.00 C ATOM 0 H VAL A 107 6.528 -1.678 2.105 1.00 0.00 H new ATOM 0 HA VAL A 107 4.208 -3.313 1.080 1.00 0.00 H new ATOM 0 HB VAL A 107 7.102 -2.732 0.310 1.00 0.00 H new ATOM 0 HG11 VAL A 107 6.732 -4.164 -1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 107 6.612 -5.106 -0.175 1.00 0.00 H new ATOM 0 HG13 VAL A 107 5.135 -4.628 -1.046 1.00 0.00 H new ATOM 0 HG21 VAL A 107 6.002 -1.808 -1.741 1.00 0.00 H new ATOM 0 HG22 VAL A 107 4.412 -2.258 -1.079 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.391 -1.010 -0.272 1.00 0.00 H new ATOM 471 N LEU A 108 4.791 -5.449 2.079 1.00 0.00 N ATOM 472 CA LEU A 108 5.049 -6.729 2.791 1.00 0.00 C ATOM 473 C LEU A 108 5.653 -7.744 1.812 1.00 0.00 C ATOM 474 O LEU A 108 6.384 -8.636 2.198 1.00 0.00 O ATOM 475 CB LEU A 108 3.655 -7.217 3.230 1.00 0.00 C ATOM 476 CG LEU A 108 3.179 -6.497 4.502 1.00 0.00 C ATOM 477 CD1 LEU A 108 2.427 -5.231 4.127 1.00 0.00 C ATOM 478 CD2 LEU A 108 2.229 -7.417 5.282 1.00 0.00 C ATOM 0 H LEU A 108 3.895 -5.408 1.593 1.00 0.00 H new ATOM 0 HA LEU A 108 5.737 -6.611 3.628 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.939 -7.047 2.426 1.00 0.00 H new ATOM 0 HB3 LEU A 108 3.685 -8.292 3.409 1.00 0.00 H new ATOM 0 HG LEU A 108 4.046 -6.244 5.113 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.092 -4.725 5.032 1.00 0.00 H new ATOM 0 HD12 LEU A 108 3.086 -4.570 3.564 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.563 -5.489 3.515 1.00 0.00 H new ATOM 0 HD21 LEU A 108 1.890 -6.909 6.185 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.369 -7.664 4.660 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.753 -8.333 5.556 1.00 0.00 H new ATOM 490 N GLU A 109 5.349 -7.603 0.546 1.00 0.00 N ATOM 491 CA GLU A 109 5.895 -8.546 -0.477 1.00 0.00 C ATOM 492 C GLU A 109 5.903 -7.886 -1.857 1.00 0.00 C ATOM 493 O GLU A 109 5.655 -6.705 -1.991 1.00 0.00 O ATOM 494 CB GLU A 109 4.942 -9.742 -0.467 1.00 0.00 C ATOM 495 CG GLU A 109 5.393 -10.744 0.596 1.00 0.00 C ATOM 496 CD GLU A 109 5.059 -12.163 0.134 1.00 0.00 C ATOM 497 OE1 GLU A 109 3.946 -12.373 -0.319 1.00 0.00 O ATOM 498 OE2 GLU A 109 5.924 -13.017 0.240 1.00 0.00 O ATOM 0 H GLU A 109 4.743 -6.871 0.176 1.00 0.00 H new ATOM 0 HA GLU A 109 6.922 -8.839 -0.257 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.925 -9.409 -0.260 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.928 -10.218 -1.448 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.465 -10.649 0.769 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.898 -10.533 1.544 1.00 0.00 H new ATOM 505 N GLU A 110 6.154 -8.653 -2.887 1.00 0.00 N ATOM 506 CA GLU A 110 6.147 -8.088 -4.271 1.00 0.00 C ATOM 507 C GLU A 110 5.747 -9.174 -5.278 1.00 0.00 C ATOM 508 O GLU A 110 6.447 -10.153 -5.458 1.00 0.00 O ATOM 509 CB GLU A 110 7.576 -7.614 -4.526 1.00 0.00 C ATOM 510 CG GLU A 110 7.552 -6.475 -5.549 1.00 0.00 C ATOM 511 CD GLU A 110 8.983 -6.122 -5.961 1.00 0.00 C ATOM 512 OE1 GLU A 110 9.816 -5.984 -5.081 1.00 0.00 O ATOM 513 OE2 GLU A 110 9.221 -5.996 -7.152 1.00 0.00 O ATOM 0 H GLU A 110 6.364 -9.649 -2.829 1.00 0.00 H new ATOM 0 HA GLU A 110 5.432 -7.272 -4.379 1.00 0.00 H new ATOM 0 HB2 GLU A 110 8.031 -7.274 -3.596 1.00 0.00 H new ATOM 0 HB3 GLU A 110 8.185 -8.439 -4.896 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.974 -6.771 -6.424 1.00 0.00 H new ATOM 0 HG3 GLU A 110 7.060 -5.601 -5.123 1.00 0.00 H new ATOM 520 N SER A 111 4.622 -9.006 -5.925 1.00 0.00 N ATOM 521 CA SER A 111 4.159 -10.020 -6.919 1.00 0.00 C ATOM 522 C SER A 111 3.843 -9.339 -8.254 1.00 0.00 C ATOM 523 O SER A 111 4.534 -9.531 -9.238 1.00 0.00 O ATOM 524 CB SER A 111 2.892 -10.619 -6.302 1.00 0.00 C ATOM 525 OG SER A 111 2.095 -11.206 -7.325 1.00 0.00 O ATOM 0 H SER A 111 4.001 -8.205 -5.806 1.00 0.00 H new ATOM 0 HA SER A 111 4.912 -10.782 -7.124 1.00 0.00 H new ATOM 0 HB2 SER A 111 3.158 -11.370 -5.558 1.00 0.00 H new ATOM 0 HB3 SER A 111 2.326 -9.844 -5.785 1.00 0.00 H new ATOM 0 HG SER A 111 1.285 -11.591 -6.929 1.00 0.00 H new ATOM 531 N GLY A 112 2.806 -8.540 -8.290 1.00 0.00 N ATOM 532 CA GLY A 112 2.438 -7.837 -9.554 1.00 0.00 C ATOM 533 C GLY A 112 0.979 -7.378 -9.487 1.00 0.00 C ATOM 534 O GLY A 112 0.127 -8.065 -8.959 1.00 0.00 O ATOM 0 H GLY A 112 2.197 -8.345 -7.495 1.00 0.00 H new ATOM 0 HA2 GLY A 112 3.092 -6.979 -9.707 1.00 0.00 H new ATOM 0 HA3 GLY A 112 2.581 -8.502 -10.406 1.00 0.00 H new ATOM 538 N GLU A 113 0.689 -6.217 -10.031 1.00 0.00 N ATOM 539 CA GLU A 113 -0.713 -5.667 -10.025 1.00 0.00 C ATOM 540 C GLU A 113 -1.175 -5.359 -8.596 1.00 0.00 C ATOM 541 O GLU A 113 -1.351 -4.212 -8.231 1.00 0.00 O ATOM 542 CB GLU A 113 -1.608 -6.739 -10.672 1.00 0.00 C ATOM 543 CG GLU A 113 -2.829 -6.071 -11.313 1.00 0.00 C ATOM 544 CD GLU A 113 -2.376 -5.154 -12.455 1.00 0.00 C ATOM 545 OE1 GLU A 113 -1.646 -5.626 -13.311 1.00 0.00 O ATOM 546 OE2 GLU A 113 -2.766 -3.999 -12.450 1.00 0.00 O ATOM 0 H GLU A 113 1.375 -5.615 -10.487 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.765 -4.729 -10.578 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -1.045 -7.291 -11.425 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -1.928 -7.461 -9.921 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -3.513 -6.830 -11.693 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -3.375 -5.495 -10.566 1.00 0.00 H new ATOM 553 N TRP A 114 -1.389 -6.369 -7.795 1.00 0.00 N ATOM 554 CA TRP A 114 -1.851 -6.139 -6.396 1.00 0.00 C ATOM 555 C TRP A 114 -0.731 -6.473 -5.406 1.00 0.00 C ATOM 556 O TRP A 114 -0.297 -7.607 -5.317 1.00 0.00 O ATOM 557 CB TRP A 114 -3.022 -7.103 -6.206 1.00 0.00 C ATOM 558 CG TRP A 114 -4.165 -6.711 -7.092 1.00 0.00 C ATOM 559 CD1 TRP A 114 -4.347 -7.135 -8.366 1.00 0.00 C ATOM 560 CD2 TRP A 114 -5.294 -5.841 -6.787 1.00 0.00 C ATOM 561 NE1 TRP A 114 -5.513 -6.579 -8.860 1.00 0.00 N ATOM 562 CE2 TRP A 114 -6.134 -5.774 -7.925 1.00 0.00 C ATOM 563 CE3 TRP A 114 -5.667 -5.111 -5.644 1.00 0.00 C ATOM 564 CZ2 TRP A 114 -7.302 -5.009 -7.927 1.00 0.00 C ATOM 565 CZ3 TRP A 114 -6.840 -4.341 -5.643 1.00 0.00 C ATOM 566 CH2 TRP A 114 -7.658 -4.291 -6.782 1.00 0.00 C ATOM 0 H TRP A 114 -1.263 -7.348 -8.052 1.00 0.00 H new ATOM 0 HA TRP A 114 -2.136 -5.101 -6.223 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -2.706 -8.120 -6.437 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -3.342 -7.097 -5.164 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -3.689 -7.799 -8.907 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -5.871 -6.743 -9.801 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -5.046 -5.143 -4.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -7.926 -4.972 -8.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -7.115 -3.783 -4.760 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -8.561 -3.699 -6.774 1.00 0.00 H new ATOM 577 N TRP A 115 -0.267 -5.505 -4.656 1.00 0.00 N ATOM 578 CA TRP A 115 0.820 -5.780 -3.663 1.00 0.00 C ATOM 579 C TRP A 115 0.247 -5.758 -2.250 1.00 0.00 C ATOM 580 O TRP A 115 -0.732 -5.093 -1.985 1.00 0.00 O ATOM 581 CB TRP A 115 1.832 -4.634 -3.813 1.00 0.00 C ATOM 582 CG TRP A 115 2.509 -4.662 -5.155 1.00 0.00 C ATOM 583 CD1 TRP A 115 2.556 -5.720 -6.009 1.00 0.00 C ATOM 584 CD2 TRP A 115 3.251 -3.588 -5.801 1.00 0.00 C ATOM 585 NE1 TRP A 115 3.274 -5.355 -7.134 1.00 0.00 N ATOM 586 CE2 TRP A 115 3.721 -4.049 -7.054 1.00 0.00 C ATOM 587 CE3 TRP A 115 3.555 -2.266 -5.425 1.00 0.00 C ATOM 588 CZ2 TRP A 115 4.466 -3.227 -7.904 1.00 0.00 C ATOM 589 CZ3 TRP A 115 4.305 -1.437 -6.276 1.00 0.00 C ATOM 590 CH2 TRP A 115 4.758 -1.916 -7.512 1.00 0.00 C ATOM 0 H TRP A 115 -0.592 -4.539 -4.687 1.00 0.00 H new ATOM 0 HA TRP A 115 1.277 -6.755 -3.834 1.00 0.00 H new ATOM 0 HB2 TRP A 115 1.323 -3.679 -3.682 1.00 0.00 H new ATOM 0 HB3 TRP A 115 2.582 -4.706 -3.025 1.00 0.00 H new ATOM 0 HD1 TRP A 115 2.106 -6.687 -5.837 1.00 0.00 H new ATOM 0 HE1 TRP A 115 3.452 -5.974 -7.925 1.00 0.00 H new ATOM 0 HE3 TRP A 115 3.209 -1.886 -4.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 4.814 -3.601 -8.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 4.533 -0.425 -5.976 1.00 0.00 H new ATOM 0 HH2 TRP A 115 5.333 -1.273 -8.162 1.00 0.00 H new ATOM 601 N LYS A 116 0.868 -6.451 -1.336 1.00 0.00 N ATOM 602 CA LYS A 116 0.369 -6.445 0.072 1.00 0.00 C ATOM 603 C LYS A 116 1.142 -5.388 0.861 1.00 0.00 C ATOM 604 O LYS A 116 2.344 -5.473 0.970 1.00 0.00 O ATOM 605 CB LYS A 116 0.668 -7.849 0.606 1.00 0.00 C ATOM 606 CG LYS A 116 -0.572 -8.402 1.313 1.00 0.00 C ATOM 607 CD LYS A 116 -0.188 -9.644 2.120 1.00 0.00 C ATOM 608 CE LYS A 116 -0.510 -10.904 1.313 1.00 0.00 C ATOM 609 NZ LYS A 116 0.468 -11.923 1.787 1.00 0.00 N ATOM 0 H LYS A 116 1.698 -7.021 -1.501 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.692 -6.210 0.152 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.956 -8.507 -0.213 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.509 -7.815 1.298 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -0.996 -7.644 1.972 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.339 -8.654 0.581 1.00 0.00 H new ATOM 0 HD2 LYS A 116 0.874 -9.618 2.363 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.731 -9.657 3.065 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -1.536 -11.231 1.484 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -0.407 -10.725 0.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 0.311 -12.817 1.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 1.435 -11.587 1.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 0.341 -12.077 2.808 1.00 0.00 H new ATOM 623 N ALA A 117 0.480 -4.385 1.395 1.00 0.00 N ATOM 624 CA ALA A 117 1.226 -3.324 2.149 1.00 0.00 C ATOM 625 C ALA A 117 0.560 -2.987 3.495 1.00 0.00 C ATOM 626 O ALA A 117 -0.616 -3.228 3.706 1.00 0.00 O ATOM 627 CB ALA A 117 1.203 -2.103 1.231 1.00 0.00 C ATOM 0 H ALA A 117 -0.530 -4.256 1.343 1.00 0.00 H new ATOM 0 HA ALA A 117 2.235 -3.656 2.393 1.00 0.00 H new ATOM 0 HB1 ALA A 117 1.730 -1.278 1.710 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.692 -2.347 0.288 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.170 -1.811 1.039 1.00 0.00 H new ATOM 633 N ARG A 118 1.316 -2.413 4.403 1.00 0.00 N ATOM 634 CA ARG A 118 0.763 -2.038 5.730 1.00 0.00 C ATOM 635 C ARG A 118 0.701 -0.509 5.865 1.00 0.00 C ATOM 636 O ARG A 118 1.685 0.181 5.690 1.00 0.00 O ATOM 637 CB ARG A 118 1.745 -2.650 6.743 1.00 0.00 C ATOM 638 CG ARG A 118 1.410 -2.196 8.176 1.00 0.00 C ATOM 639 CD ARG A 118 2.687 -1.728 8.882 1.00 0.00 C ATOM 640 NE ARG A 118 2.302 -1.529 10.315 1.00 0.00 N ATOM 641 CZ ARG A 118 3.209 -1.250 11.233 1.00 0.00 C ATOM 642 NH1 ARG A 118 4.484 -1.150 10.930 1.00 0.00 N ATOM 643 NH2 ARG A 118 2.837 -1.077 12.471 1.00 0.00 N ATOM 0 H ARG A 118 2.303 -2.189 4.272 1.00 0.00 H new ATOM 0 HA ARG A 118 -0.254 -2.399 5.884 1.00 0.00 H new ATOM 0 HB2 ARG A 118 1.705 -3.738 6.683 1.00 0.00 H new ATOM 0 HB3 ARG A 118 2.764 -2.354 6.492 1.00 0.00 H new ATOM 0 HG2 ARG A 118 0.680 -1.387 8.150 1.00 0.00 H new ATOM 0 HG3 ARG A 118 0.956 -3.017 8.731 1.00 0.00 H new ATOM 0 HD2 ARG A 118 3.481 -2.469 8.788 1.00 0.00 H new ATOM 0 HD3 ARG A 118 3.061 -0.803 8.444 1.00 0.00 H new ATOM 0 HE ARG A 118 1.322 -1.610 10.587 1.00 0.00 H new ATOM 0 HH11 ARG A 118 4.792 -1.289 9.968 1.00 0.00 H new ATOM 0 HH12 ARG A 118 5.166 -0.933 11.657 1.00 0.00 H new ATOM 0 HH21 ARG A 118 1.852 -1.158 12.724 1.00 0.00 H new ATOM 0 HH22 ARG A 118 3.531 -0.861 13.187 1.00 0.00 H new ATOM 657 N SER A 119 -0.450 0.014 6.199 1.00 0.00 N ATOM 658 CA SER A 119 -0.594 1.489 6.372 1.00 0.00 C ATOM 659 C SER A 119 -0.090 1.893 7.759 1.00 0.00 C ATOM 660 O SER A 119 -0.683 1.546 8.771 1.00 0.00 O ATOM 661 CB SER A 119 -2.090 1.760 6.247 1.00 0.00 C ATOM 662 OG SER A 119 -2.306 3.157 6.103 1.00 0.00 O ATOM 0 H SER A 119 -1.303 -0.522 6.360 1.00 0.00 H new ATOM 0 HA SER A 119 -0.020 2.055 5.639 1.00 0.00 H new ATOM 0 HB2 SER A 119 -2.497 1.227 5.387 1.00 0.00 H new ATOM 0 HB3 SER A 119 -2.613 1.389 7.128 1.00 0.00 H new ATOM 0 HG SER A 119 -3.267 3.333 6.021 1.00 0.00 H new ATOM 668 N LEU A 120 1.003 2.613 7.810 1.00 0.00 N ATOM 669 CA LEU A 120 1.571 3.040 9.127 1.00 0.00 C ATOM 670 C LEU A 120 0.627 4.012 9.840 1.00 0.00 C ATOM 671 O LEU A 120 0.699 4.178 11.044 1.00 0.00 O ATOM 672 CB LEU A 120 2.900 3.721 8.791 1.00 0.00 C ATOM 673 CG LEU A 120 3.926 2.661 8.386 1.00 0.00 C ATOM 674 CD1 LEU A 120 5.006 3.300 7.511 1.00 0.00 C ATOM 675 CD2 LEU A 120 4.569 2.072 9.643 1.00 0.00 C ATOM 0 H LEU A 120 1.529 2.925 6.993 1.00 0.00 H new ATOM 0 HA LEU A 120 1.707 2.195 9.802 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.760 4.436 7.980 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.262 4.283 9.652 1.00 0.00 H new ATOM 0 HG LEU A 120 3.429 1.870 7.825 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.736 2.543 7.223 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.547 3.721 6.616 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.505 4.092 8.069 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.301 1.316 9.357 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.066 2.864 10.203 1.00 0.00 H new ATOM 0 HD23 LEU A 120 3.800 1.615 10.265 1.00 0.00 H new ATOM 687 N ALA A 121 -0.260 4.653 9.116 1.00 0.00 N ATOM 688 CA ALA A 121 -1.209 5.604 9.770 1.00 0.00 C ATOM 689 C ALA A 121 -2.095 4.844 10.758 1.00 0.00 C ATOM 690 O ALA A 121 -2.488 5.366 11.784 1.00 0.00 O ATOM 691 CB ALA A 121 -2.053 6.190 8.637 1.00 0.00 C ATOM 0 H ALA A 121 -0.366 4.558 8.106 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.692 6.386 10.325 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -2.773 6.898 9.048 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -1.404 6.703 7.927 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.585 5.387 8.127 1.00 0.00 H new ATOM 697 N THR A 122 -2.399 3.609 10.454 1.00 0.00 N ATOM 698 CA THR A 122 -3.249 2.792 11.370 1.00 0.00 C ATOM 699 C THR A 122 -2.589 1.437 11.656 1.00 0.00 C ATOM 700 O THR A 122 -3.209 0.549 12.207 1.00 0.00 O ATOM 701 CB THR A 122 -4.566 2.585 10.618 1.00 0.00 C ATOM 702 OG1 THR A 122 -4.292 2.085 9.317 1.00 0.00 O ATOM 703 CG2 THR A 122 -5.314 3.914 10.507 1.00 0.00 C ATOM 0 H THR A 122 -2.094 3.129 9.607 1.00 0.00 H new ATOM 0 HA THR A 122 -3.395 3.285 12.331 1.00 0.00 H new ATOM 0 HB THR A 122 -5.184 1.871 11.162 1.00 0.00 H new ATOM 0 HG1 THR A 122 -5.134 1.950 8.834 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.251 3.761 9.971 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.526 4.297 11.505 1.00 0.00 H new ATOM 0 HG23 THR A 122 -4.700 4.633 9.966 1.00 0.00 H new ATOM 711 N ARG A 123 -1.335 1.265 11.286 1.00 0.00 N ATOM 712 CA ARG A 123 -0.635 -0.042 11.533 1.00 0.00 C ATOM 713 C ARG A 123 -1.461 -1.205 10.972 1.00 0.00 C ATOM 714 O ARG A 123 -1.410 -2.309 11.477 1.00 0.00 O ATOM 715 CB ARG A 123 -0.524 -0.165 13.059 1.00 0.00 C ATOM 716 CG ARG A 123 0.221 1.049 13.628 1.00 0.00 C ATOM 717 CD ARG A 123 1.102 0.612 14.804 1.00 0.00 C ATOM 718 NE ARG A 123 0.777 1.563 15.927 1.00 0.00 N ATOM 719 CZ ARG A 123 0.950 2.866 15.828 1.00 0.00 C ATOM 720 NH1 ARG A 123 1.544 3.397 14.784 1.00 0.00 N ATOM 721 NH2 ARG A 123 0.561 3.639 16.804 1.00 0.00 N ATOM 0 H ARG A 123 -0.767 1.975 10.823 1.00 0.00 H new ATOM 0 HA ARG A 123 0.340 -0.074 11.048 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -1.518 -0.232 13.500 1.00 0.00 H new ATOM 0 HB3 ARG A 123 0.004 -1.082 13.321 1.00 0.00 H new ATOM 0 HG2 ARG A 123 0.835 1.507 12.852 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -0.493 1.804 13.957 1.00 0.00 H new ATOM 0 HD2 ARG A 123 0.892 -0.419 15.090 1.00 0.00 H new ATOM 0 HD3 ARG A 123 2.159 0.661 14.542 1.00 0.00 H new ATOM 0 HE ARG A 123 0.408 1.183 16.799 1.00 0.00 H new ATOM 0 HH11 ARG A 123 1.881 2.799 14.030 1.00 0.00 H new ATOM 0 HH12 ARG A 123 1.668 4.408 14.727 1.00 0.00 H new ATOM 0 HH21 ARG A 123 0.128 3.234 17.634 1.00 0.00 H new ATOM 0 HH22 ARG A 123 0.690 4.649 16.737 1.00 0.00 H new ATOM 735 N LYS A 124 -2.212 -0.962 9.925 1.00 0.00 N ATOM 736 CA LYS A 124 -3.036 -2.056 9.324 1.00 0.00 C ATOM 737 C LYS A 124 -2.350 -2.573 8.067 1.00 0.00 C ATOM 738 O LYS A 124 -1.319 -2.075 7.683 1.00 0.00 O ATOM 739 CB LYS A 124 -4.373 -1.416 8.967 1.00 0.00 C ATOM 740 CG LYS A 124 -5.136 -1.071 10.248 1.00 0.00 C ATOM 741 CD LYS A 124 -6.607 -0.823 9.909 1.00 0.00 C ATOM 742 CE LYS A 124 -7.355 -2.158 9.886 1.00 0.00 C ATOM 743 NZ LYS A 124 -8.785 -1.805 10.114 1.00 0.00 N ATOM 0 H LYS A 124 -2.290 -0.056 9.462 1.00 0.00 H new ATOM 0 HA LYS A 124 -3.165 -2.897 10.006 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -4.210 -0.515 8.375 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -4.962 -2.098 8.354 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -5.049 -1.885 10.967 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -4.704 -0.186 10.715 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -7.054 -0.156 10.646 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -6.690 -0.330 8.940 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -7.222 -2.668 8.932 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -6.986 -2.830 10.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -9.361 -2.671 10.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -8.882 -1.327 11.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -9.111 -1.170 9.357 1.00 0.00 H new ATOM 757 N GLU A 125 -2.913 -3.561 7.424 1.00 0.00 N ATOM 758 CA GLU A 125 -2.271 -4.100 6.180 1.00 0.00 C ATOM 759 C GLU A 125 -3.286 -4.782 5.271 1.00 0.00 C ATOM 760 O GLU A 125 -4.263 -5.353 5.717 1.00 0.00 O ATOM 761 CB GLU A 125 -1.166 -5.088 6.621 1.00 0.00 C ATOM 762 CG GLU A 125 -1.547 -5.837 7.905 1.00 0.00 C ATOM 763 CD GLU A 125 -2.819 -6.654 7.670 1.00 0.00 C ATOM 764 OE1 GLU A 125 -2.712 -7.731 7.109 1.00 0.00 O ATOM 765 OE2 GLU A 125 -3.879 -6.191 8.061 1.00 0.00 O ATOM 0 H GLU A 125 -3.782 -4.018 7.700 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.844 -3.283 5.598 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -0.982 -5.807 5.823 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -0.235 -4.544 6.781 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -0.732 -6.494 8.209 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -1.704 -5.128 8.718 1.00 0.00 H new ATOM 772 N GLY A 126 -3.042 -4.727 3.987 1.00 0.00 N ATOM 773 CA GLY A 126 -3.965 -5.367 3.015 1.00 0.00 C ATOM 774 C GLY A 126 -3.366 -5.292 1.608 1.00 0.00 C ATOM 775 O GLY A 126 -2.165 -5.261 1.438 1.00 0.00 O ATOM 0 H GLY A 126 -2.235 -4.261 3.571 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -4.137 -6.407 3.293 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -4.934 -4.867 3.035 1.00 0.00 H new ATOM 779 N TYR A 127 -4.205 -5.239 0.605 1.00 0.00 N ATOM 780 CA TYR A 127 -3.716 -5.162 -0.805 1.00 0.00 C ATOM 781 C TYR A 127 -3.625 -3.701 -1.246 1.00 0.00 C ATOM 782 O TYR A 127 -4.223 -2.827 -0.648 1.00 0.00 O ATOM 783 CB TYR A 127 -4.794 -5.861 -1.648 1.00 0.00 C ATOM 784 CG TYR A 127 -5.011 -7.283 -1.192 1.00 0.00 C ATOM 785 CD1 TYR A 127 -4.021 -8.253 -1.391 1.00 0.00 C ATOM 786 CD2 TYR A 127 -6.218 -7.632 -0.580 1.00 0.00 C ATOM 787 CE1 TYR A 127 -4.242 -9.571 -0.972 1.00 0.00 C ATOM 788 CE2 TYR A 127 -6.439 -8.945 -0.160 1.00 0.00 C ATOM 789 CZ TYR A 127 -5.451 -9.916 -0.354 1.00 0.00 C ATOM 790 OH TYR A 127 -5.669 -11.212 0.065 1.00 0.00 O ATOM 0 H TYR A 127 -5.220 -5.246 0.704 1.00 0.00 H new ATOM 0 HA TYR A 127 -2.732 -5.618 -0.913 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -5.730 -5.307 -1.577 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -4.499 -5.854 -2.697 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -3.089 -7.985 -1.867 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -6.982 -6.884 -0.431 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -3.480 -10.321 -1.125 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -7.372 -9.211 0.314 1.00 0.00 H new ATOM 0 HH TYR A 127 -6.557 -11.279 0.474 1.00 0.00 H new ATOM 800 N ILE A 128 -2.893 -3.438 -2.297 1.00 0.00 N ATOM 801 CA ILE A 128 -2.762 -2.040 -2.803 1.00 0.00 C ATOM 802 C ILE A 128 -2.467 -2.069 -4.314 1.00 0.00 C ATOM 803 O ILE A 128 -1.390 -2.460 -4.719 1.00 0.00 O ATOM 804 CB ILE A 128 -1.601 -1.394 -2.029 1.00 0.00 C ATOM 805 CG1 ILE A 128 -0.345 -2.282 -2.077 1.00 0.00 C ATOM 806 CG2 ILE A 128 -2.021 -1.181 -0.573 1.00 0.00 C ATOM 807 CD1 ILE A 128 0.875 -1.424 -2.432 1.00 0.00 C ATOM 0 H ILE A 128 -2.377 -4.138 -2.830 1.00 0.00 H new ATOM 0 HA ILE A 128 -3.678 -1.469 -2.655 1.00 0.00 H new ATOM 0 HB ILE A 128 -1.363 -0.437 -2.494 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -0.193 -2.768 -1.113 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -0.474 -3.073 -2.816 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -1.200 -0.723 -0.021 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -2.892 -0.527 -0.538 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -2.270 -2.141 -0.122 1.00 0.00 H new ATOM 0 HD11 ILE A 128 1.765 -2.053 -2.466 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.722 -0.959 -3.406 1.00 0.00 H new ATOM 0 HD13 ILE A 128 1.007 -0.649 -1.677 1.00 0.00 H new ATOM 819 N PRO A 129 -3.437 -1.677 -5.116 1.00 0.00 N ATOM 820 CA PRO A 129 -3.249 -1.695 -6.594 1.00 0.00 C ATOM 821 C PRO A 129 -1.951 -0.992 -7.010 1.00 0.00 C ATOM 822 O PRO A 129 -1.831 0.220 -6.960 1.00 0.00 O ATOM 823 CB PRO A 129 -4.469 -0.952 -7.130 1.00 0.00 C ATOM 824 CG PRO A 129 -5.507 -1.085 -6.060 1.00 0.00 C ATOM 825 CD PRO A 129 -4.776 -1.186 -4.748 1.00 0.00 C ATOM 0 HA PRO A 129 -3.165 -2.709 -6.985 1.00 0.00 H new ATOM 0 HB2 PRO A 129 -4.238 0.095 -7.327 1.00 0.00 H new ATOM 0 HB3 PRO A 129 -4.813 -1.385 -8.069 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -6.177 -0.225 -6.063 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -6.123 -1.969 -6.228 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -4.722 -0.219 -4.247 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -5.277 -1.871 -4.065 1.00 0.00 H new ATOM 833 N SER A 130 -0.985 -1.762 -7.435 1.00 0.00 N ATOM 834 CA SER A 130 0.327 -1.186 -7.872 1.00 0.00 C ATOM 835 C SER A 130 0.152 -0.162 -9.004 1.00 0.00 C ATOM 836 O SER A 130 1.067 0.578 -9.314 1.00 0.00 O ATOM 837 CB SER A 130 1.127 -2.385 -8.383 1.00 0.00 C ATOM 838 OG SER A 130 1.075 -3.428 -7.419 1.00 0.00 O ATOM 0 H SER A 130 -1.047 -2.778 -7.500 1.00 0.00 H new ATOM 0 HA SER A 130 0.817 -0.659 -7.054 1.00 0.00 H new ATOM 0 HB2 SER A 130 0.719 -2.731 -9.333 1.00 0.00 H new ATOM 0 HB3 SER A 130 2.162 -2.095 -8.567 1.00 0.00 H new ATOM 0 HG SER A 130 1.965 -3.826 -7.319 1.00 0.00 H new ATOM 844 N ASN A 131 -0.993 -0.134 -9.649 1.00 0.00 N ATOM 845 CA ASN A 131 -1.193 0.824 -10.782 1.00 0.00 C ATOM 846 C ASN A 131 -1.445 2.268 -10.306 1.00 0.00 C ATOM 847 O ASN A 131 -1.737 3.133 -11.110 1.00 0.00 O ATOM 848 CB ASN A 131 -2.408 0.288 -11.549 1.00 0.00 C ATOM 849 CG ASN A 131 -3.656 0.274 -10.653 1.00 0.00 C ATOM 850 OD1 ASN A 131 -3.759 1.027 -9.702 1.00 0.00 O ATOM 851 ND2 ASN A 131 -4.626 -0.555 -10.931 1.00 0.00 N ATOM 0 H ASN A 131 -1.793 -0.731 -9.440 1.00 0.00 H new ATOM 0 HA ASN A 131 -0.296 0.881 -11.399 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -2.592 0.908 -12.427 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -2.201 -0.720 -11.908 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -5.466 -0.570 -10.352 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -4.544 -1.188 -11.727 1.00 0.00 H new ATOM 858 N TYR A 132 -1.353 2.542 -9.023 1.00 0.00 N ATOM 859 CA TYR A 132 -1.593 3.944 -8.538 1.00 0.00 C ATOM 860 C TYR A 132 -0.789 4.220 -7.259 1.00 0.00 C ATOM 861 O TYR A 132 -1.259 4.881 -6.349 1.00 0.00 O ATOM 862 CB TYR A 132 -3.096 4.014 -8.250 1.00 0.00 C ATOM 863 CG TYR A 132 -3.860 4.382 -9.509 1.00 0.00 C ATOM 864 CD1 TYR A 132 -3.474 5.491 -10.274 1.00 0.00 C ATOM 865 CD2 TYR A 132 -4.961 3.616 -9.905 1.00 0.00 C ATOM 866 CE1 TYR A 132 -4.186 5.831 -11.429 1.00 0.00 C ATOM 867 CE2 TYR A 132 -5.677 3.958 -11.059 1.00 0.00 C ATOM 868 CZ TYR A 132 -5.290 5.067 -11.821 1.00 0.00 C ATOM 869 OH TYR A 132 -5.997 5.408 -12.958 1.00 0.00 O ATOM 0 H TYR A 132 -1.124 1.863 -8.297 1.00 0.00 H new ATOM 0 HA TYR A 132 -1.280 4.687 -9.271 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -3.446 3.053 -7.873 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -3.289 4.752 -7.471 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -2.624 6.085 -9.971 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -5.260 2.759 -9.320 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -3.883 6.684 -12.018 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -6.528 3.366 -11.361 1.00 0.00 H new ATOM 0 HH TYR A 132 -6.733 4.774 -13.088 1.00 0.00 H new ATOM 879 N VAL A 133 0.417 3.721 -7.187 1.00 0.00 N ATOM 880 CA VAL A 133 1.266 3.943 -5.971 1.00 0.00 C ATOM 881 C VAL A 133 2.738 4.037 -6.373 1.00 0.00 C ATOM 882 O VAL A 133 3.111 3.726 -7.487 1.00 0.00 O ATOM 883 CB VAL A 133 1.014 2.719 -5.067 1.00 0.00 C ATOM 884 CG1 VAL A 133 1.219 1.422 -5.861 1.00 0.00 C ATOM 885 CG2 VAL A 133 1.967 2.721 -3.863 1.00 0.00 C ATOM 0 H VAL A 133 0.856 3.165 -7.921 1.00 0.00 H new ATOM 0 HA VAL A 133 1.020 4.872 -5.456 1.00 0.00 H new ATOM 0 HB VAL A 133 -0.014 2.775 -4.709 1.00 0.00 H new ATOM 0 HG11 VAL A 133 1.038 0.565 -5.212 1.00 0.00 H new ATOM 0 HG12 VAL A 133 0.523 1.395 -6.700 1.00 0.00 H new ATOM 0 HG13 VAL A 133 2.242 1.383 -6.237 1.00 0.00 H new ATOM 0 HG21 VAL A 133 1.769 1.848 -3.241 1.00 0.00 H new ATOM 0 HG22 VAL A 133 2.998 2.690 -4.215 1.00 0.00 H new ATOM 0 HG23 VAL A 133 1.811 3.627 -3.277 1.00 0.00 H new ATOM 895 N ALA A 134 3.570 4.457 -5.460 1.00 0.00 N ATOM 896 CA ALA A 134 5.032 4.569 -5.765 1.00 0.00 C ATOM 897 C ALA A 134 5.864 3.983 -4.619 1.00 0.00 C ATOM 898 O ALA A 134 5.534 4.149 -3.466 1.00 0.00 O ATOM 899 CB ALA A 134 5.299 6.069 -5.907 1.00 0.00 C ATOM 0 H ALA A 134 3.304 4.729 -4.514 1.00 0.00 H new ATOM 0 HA ALA A 134 5.304 4.020 -6.666 1.00 0.00 H new ATOM 0 HB1 ALA A 134 6.353 6.231 -6.132 1.00 0.00 H new ATOM 0 HB2 ALA A 134 4.689 6.472 -6.716 1.00 0.00 H new ATOM 0 HB3 ALA A 134 5.045 6.574 -4.975 1.00 0.00 H new ATOM 905 N ARG A 135 6.940 3.303 -4.932 1.00 0.00 N ATOM 906 CA ARG A 135 7.793 2.701 -3.870 1.00 0.00 C ATOM 907 C ARG A 135 8.801 3.728 -3.342 1.00 0.00 C ATOM 908 O ARG A 135 9.615 4.257 -4.072 1.00 0.00 O ATOM 909 CB ARG A 135 8.498 1.536 -4.570 1.00 0.00 C ATOM 910 CG ARG A 135 9.474 0.845 -3.616 1.00 0.00 C ATOM 911 CD ARG A 135 8.772 -0.291 -2.857 1.00 0.00 C ATOM 912 NE ARG A 135 9.659 -1.502 -3.030 1.00 0.00 N ATOM 913 CZ ARG A 135 9.940 -2.014 -4.210 1.00 0.00 C ATOM 914 NH1 ARG A 135 9.331 -1.598 -5.291 1.00 0.00 N ATOM 915 NH2 ARG A 135 10.809 -2.987 -4.303 1.00 0.00 N ATOM 0 H ARG A 135 7.263 3.140 -5.886 1.00 0.00 H new ATOM 0 HA ARG A 135 7.220 2.372 -3.003 1.00 0.00 H new ATOM 0 HB2 ARG A 135 7.759 0.818 -4.926 1.00 0.00 H new ATOM 0 HB3 ARG A 135 9.034 1.902 -5.445 1.00 0.00 H new ATOM 0 HG2 ARG A 135 10.320 0.447 -4.177 1.00 0.00 H new ATOM 0 HG3 ARG A 135 9.874 1.570 -2.908 1.00 0.00 H new ATOM 0 HD2 ARG A 135 8.650 -0.042 -1.803 1.00 0.00 H new ATOM 0 HD3 ARG A 135 7.775 -0.474 -3.259 1.00 0.00 H new ATOM 0 HE ARG A 135 10.056 -1.941 -2.199 1.00 0.00 H new ATOM 0 HH11 ARG A 135 8.625 -0.865 -5.228 1.00 0.00 H new ATOM 0 HH12 ARG A 135 9.563 -2.007 -6.196 1.00 0.00 H new ATOM 0 HH21 ARG A 135 11.265 -3.345 -3.464 1.00 0.00 H new ATOM 0 HH22 ARG A 135 11.031 -3.388 -5.215 1.00 0.00 H new