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 Set 1.1: A 119 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 122 THR OG1 : rot -170:sc= -0.594 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 129:sc= 0.0795 USER MOD Single : A 98 SER OG : rot 180:sc= 0.403 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.038) USER MOD Single : A 105 MET CE :methyl 136:sc= -2.17! (180deg=-2.76!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 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 -110:sc= 0.953 USER MOD Single : A 131 ASN : amide:sc= -2.97 K(o=-3,f=-9.7!) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N ILE A 81 11.040 -1.710 1.034 1.00 0.00 N ATOM 40 CA ILE A 81 9.889 -1.933 0.113 1.00 0.00 C ATOM 41 C ILE A 81 8.710 -1.064 0.552 1.00 0.00 C ATOM 42 O ILE A 81 7.627 -1.551 0.774 1.00 0.00 O ATOM 43 CB ILE A 81 9.551 -3.433 0.170 1.00 0.00 C ATOM 44 CG1 ILE A 81 9.027 -3.844 1.583 1.00 0.00 C ATOM 45 CG2 ILE A 81 10.789 -4.242 -0.257 1.00 0.00 C ATOM 46 CD1 ILE A 81 10.097 -4.543 2.446 1.00 0.00 C ATOM 0 HA ILE A 81 10.127 -1.653 -0.913 1.00 0.00 H new ATOM 0 HB ILE A 81 8.740 -3.652 -0.525 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.672 -2.955 2.105 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.171 -4.509 1.467 1.00 0.00 H new ATOM 0 HG21 ILE A 81 10.559 -5.307 -0.220 1.00 0.00 H new ATOM 0 HG22 ILE A 81 11.070 -3.967 -1.274 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.616 -4.026 0.419 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.670 -4.803 3.415 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.435 -5.449 1.943 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.943 -3.871 2.591 1.00 0.00 H new ATOM 58 N ILE A 82 8.905 0.232 0.668 1.00 0.00 N ATOM 59 CA ILE A 82 7.763 1.104 1.090 1.00 0.00 C ATOM 60 C ILE A 82 7.229 1.854 -0.114 1.00 0.00 C ATOM 61 O ILE A 82 7.933 2.055 -1.074 1.00 0.00 O ATOM 62 CB ILE A 82 8.312 2.082 2.133 1.00 0.00 C ATOM 63 CG1 ILE A 82 8.941 1.307 3.296 1.00 0.00 C ATOM 64 CG2 ILE A 82 7.163 2.950 2.668 1.00 0.00 C ATOM 65 CD1 ILE A 82 9.874 2.235 4.075 1.00 0.00 C ATOM 0 H ILE A 82 9.787 0.713 0.492 1.00 0.00 H new ATOM 0 HA ILE A 82 6.946 0.518 1.510 1.00 0.00 H new ATOM 0 HB ILE A 82 9.070 2.713 1.669 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.163 0.920 3.953 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.496 0.448 2.918 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.550 3.648 3.411 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.715 3.507 1.846 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.408 2.312 3.128 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.323 1.687 4.903 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.659 2.601 3.413 1.00 0.00 H new ATOM 0 HD13 ILE A 82 9.305 3.079 4.464 1.00 0.00 H new ATOM 77 N VAL A 83 5.992 2.267 -0.067 1.00 0.00 N ATOM 78 CA VAL A 83 5.408 3.009 -1.217 1.00 0.00 C ATOM 79 C VAL A 83 4.543 4.172 -0.715 1.00 0.00 C ATOM 80 O VAL A 83 4.334 4.335 0.473 1.00 0.00 O ATOM 81 CB VAL A 83 4.545 1.982 -1.969 1.00 0.00 C ATOM 82 CG1 VAL A 83 5.411 0.822 -2.482 1.00 0.00 C ATOM 83 CG2 VAL A 83 3.456 1.428 -1.039 1.00 0.00 C ATOM 0 H VAL A 83 5.360 2.122 0.721 1.00 0.00 H new ATOM 0 HA VAL A 83 6.178 3.438 -1.859 1.00 0.00 H new ATOM 0 HB VAL A 83 4.081 2.483 -2.819 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.783 0.105 -3.011 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.172 1.208 -3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.894 0.328 -1.639 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.850 0.702 -1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.922 0.944 -0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.822 2.245 -0.695 1.00 0.00 H new ATOM 93 N VAL A 84 4.018 4.961 -1.617 1.00 0.00 N ATOM 94 CA VAL A 84 3.140 6.092 -1.205 1.00 0.00 C ATOM 95 C VAL A 84 1.891 6.117 -2.093 1.00 0.00 C ATOM 96 O VAL A 84 1.984 6.198 -3.308 1.00 0.00 O ATOM 97 CB VAL A 84 3.988 7.378 -1.345 1.00 0.00 C ATOM 98 CG1 VAL A 84 4.084 7.840 -2.807 1.00 0.00 C ATOM 99 CG2 VAL A 84 3.340 8.493 -0.525 1.00 0.00 C ATOM 0 H VAL A 84 4.161 4.869 -2.623 1.00 0.00 H new ATOM 0 HA VAL A 84 2.790 5.996 -0.177 1.00 0.00 H new ATOM 0 HB VAL A 84 4.994 7.158 -0.986 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.688 8.746 -2.863 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.548 7.057 -3.406 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.084 8.046 -3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.932 9.404 -0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.331 8.676 -0.894 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.295 8.195 0.523 1.00 0.00 H new ATOM 109 N ALA A 85 0.732 6.041 -1.501 1.00 0.00 N ATOM 110 CA ALA A 85 -0.513 6.067 -2.314 1.00 0.00 C ATOM 111 C ALA A 85 -0.659 7.445 -2.946 1.00 0.00 C ATOM 112 O ALA A 85 -0.730 8.445 -2.249 1.00 0.00 O ATOM 113 CB ALA A 85 -1.651 5.816 -1.334 1.00 0.00 C ATOM 0 H ALA A 85 0.594 5.962 -0.493 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.507 5.324 -3.111 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.600 5.822 -1.869 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.511 4.847 -0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.657 6.599 -0.575 1.00 0.00 H new ATOM 119 N LEU A 86 -0.700 7.498 -4.256 1.00 0.00 N ATOM 120 CA LEU A 86 -0.829 8.809 -4.959 1.00 0.00 C ATOM 121 C LEU A 86 -2.295 9.127 -5.269 1.00 0.00 C ATOM 122 O LEU A 86 -2.594 10.142 -5.865 1.00 0.00 O ATOM 123 CB LEU A 86 -0.052 8.638 -6.262 1.00 0.00 C ATOM 124 CG LEU A 86 1.427 8.407 -5.950 1.00 0.00 C ATOM 125 CD1 LEU A 86 2.155 7.961 -7.220 1.00 0.00 C ATOM 126 CD2 LEU A 86 2.048 9.709 -5.436 1.00 0.00 C ATOM 0 H LEU A 86 -0.649 6.684 -4.869 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.451 9.628 -4.347 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.451 7.796 -6.827 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.168 9.524 -6.886 1.00 0.00 H new ATOM 0 HG LEU A 86 1.521 7.633 -5.188 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.209 7.797 -6.996 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.713 7.034 -7.586 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.062 8.734 -7.983 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.102 9.546 -5.213 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.954 10.483 -6.198 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.531 10.026 -4.531 1.00 0.00 H new ATOM 138 N TYR A 87 -3.215 8.273 -4.875 1.00 0.00 N ATOM 139 CA TYR A 87 -4.667 8.538 -5.137 1.00 0.00 C ATOM 140 C TYR A 87 -5.491 7.836 -4.050 1.00 0.00 C ATOM 141 O TYR A 87 -5.069 6.840 -3.493 1.00 0.00 O ATOM 142 CB TYR A 87 -4.984 7.954 -6.525 1.00 0.00 C ATOM 143 CG TYR A 87 -4.014 8.490 -7.555 1.00 0.00 C ATOM 144 CD1 TYR A 87 -4.190 9.774 -8.083 1.00 0.00 C ATOM 145 CD2 TYR A 87 -2.929 7.705 -7.965 1.00 0.00 C ATOM 146 CE1 TYR A 87 -3.281 10.274 -9.025 1.00 0.00 C ATOM 147 CE2 TYR A 87 -2.020 8.205 -8.906 1.00 0.00 C ATOM 148 CZ TYR A 87 -2.196 9.489 -9.436 1.00 0.00 C ATOM 149 OH TYR A 87 -1.300 9.983 -10.363 1.00 0.00 O ATOM 0 H TYR A 87 -3.020 7.402 -4.382 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.904 9.602 -5.117 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.925 6.866 -6.491 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.005 8.209 -6.810 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -5.026 10.379 -7.765 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.793 6.715 -7.556 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -3.417 11.264 -9.434 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.183 7.600 -9.223 1.00 0.00 H new ATOM 0 HH TYR A 87 -0.607 9.313 -10.537 1.00 0.00 H new ATOM 159 N ASP A 88 -6.643 8.363 -3.727 1.00 0.00 N ATOM 160 CA ASP A 88 -7.483 7.737 -2.657 1.00 0.00 C ATOM 161 C ASP A 88 -7.984 6.359 -3.110 1.00 0.00 C ATOM 162 O ASP A 88 -8.207 6.134 -4.284 1.00 0.00 O ATOM 163 CB ASP A 88 -8.657 8.695 -2.448 1.00 0.00 C ATOM 164 CG ASP A 88 -8.130 10.054 -1.984 1.00 0.00 C ATOM 165 OD1 ASP A 88 -7.393 10.080 -1.011 1.00 0.00 O ATOM 166 OD2 ASP A 88 -8.466 11.045 -2.610 1.00 0.00 O ATOM 0 H ASP A 88 -7.040 9.199 -4.156 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.921 7.583 -1.736 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.218 8.808 -3.376 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.345 8.288 -1.707 1.00 0.00 H new ATOM 171 N TYR A 89 -8.162 5.435 -2.191 1.00 0.00 N ATOM 172 CA TYR A 89 -8.654 4.067 -2.585 1.00 0.00 C ATOM 173 C TYR A 89 -9.360 3.368 -1.412 1.00 0.00 C ATOM 174 O TYR A 89 -8.844 3.310 -0.312 1.00 0.00 O ATOM 175 CB TYR A 89 -7.397 3.293 -2.987 1.00 0.00 C ATOM 176 CG TYR A 89 -7.801 1.957 -3.562 1.00 0.00 C ATOM 177 CD1 TYR A 89 -8.579 1.903 -4.725 1.00 0.00 C ATOM 178 CD2 TYR A 89 -7.410 0.774 -2.926 1.00 0.00 C ATOM 179 CE1 TYR A 89 -8.965 0.665 -5.252 1.00 0.00 C ATOM 180 CE2 TYR A 89 -7.798 -0.465 -3.451 1.00 0.00 C ATOM 181 CZ TYR A 89 -8.575 -0.519 -4.615 1.00 0.00 C ATOM 182 OH TYR A 89 -8.958 -1.740 -5.135 1.00 0.00 O ATOM 0 H TYR A 89 -7.990 5.565 -1.194 1.00 0.00 H new ATOM 0 HA TYR A 89 -9.384 4.123 -3.392 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.825 3.861 -3.721 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.751 3.150 -2.121 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.881 2.817 -5.215 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.809 0.816 -2.030 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.564 0.623 -6.150 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.498 -1.378 -2.959 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.172 -2.318 -5.226 1.00 0.00 H new ATOM 192 N GLU A 90 -10.537 2.830 -1.646 1.00 0.00 N ATOM 193 CA GLU A 90 -11.290 2.133 -0.554 1.00 0.00 C ATOM 194 C GLU A 90 -11.136 0.607 -0.648 1.00 0.00 C ATOM 195 O GLU A 90 -11.199 0.025 -1.714 1.00 0.00 O ATOM 196 CB GLU A 90 -12.750 2.531 -0.770 1.00 0.00 C ATOM 197 CG GLU A 90 -13.037 3.841 -0.030 1.00 0.00 C ATOM 198 CD GLU A 90 -13.174 3.576 1.474 1.00 0.00 C ATOM 199 OE1 GLU A 90 -12.659 2.567 1.936 1.00 0.00 O ATOM 200 OE2 GLU A 90 -13.792 4.389 2.143 1.00 0.00 O ATOM 0 H GLU A 90 -11.009 2.845 -2.550 1.00 0.00 H new ATOM 0 HA GLU A 90 -10.917 2.416 0.431 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.952 2.650 -1.834 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.410 1.744 -0.407 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -12.232 4.554 -0.210 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -13.953 4.291 -0.413 1.00 0.00 H new ATOM 207 N ALA A 91 -10.942 -0.039 0.478 1.00 0.00 N ATOM 208 CA ALA A 91 -10.780 -1.536 0.505 1.00 0.00 C ATOM 209 C ALA A 91 -11.868 -2.242 -0.325 1.00 0.00 C ATOM 210 O ALA A 91 -12.894 -1.669 -0.630 1.00 0.00 O ATOM 211 CB ALA A 91 -10.911 -1.918 1.988 1.00 0.00 C ATOM 0 H ALA A 91 -10.888 0.410 1.392 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.827 -1.840 0.073 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -10.805 -2.997 2.096 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -10.132 -1.417 2.563 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -11.889 -1.611 2.358 1.00 0.00 H new ATOM 285 N ASP A 96 -7.858 -6.487 2.590 1.00 0.00 N ATOM 286 CA ASP A 96 -7.743 -5.262 1.741 1.00 0.00 C ATOM 287 C ASP A 96 -7.279 -4.074 2.591 1.00 0.00 C ATOM 288 O ASP A 96 -7.111 -4.194 3.791 1.00 0.00 O ATOM 289 CB ASP A 96 -9.148 -5.023 1.178 1.00 0.00 C ATOM 290 CG ASP A 96 -10.178 -4.881 2.309 1.00 0.00 C ATOM 291 OD1 ASP A 96 -9.783 -4.908 3.466 1.00 0.00 O ATOM 292 OD2 ASP A 96 -11.350 -4.755 1.996 1.00 0.00 O ATOM 0 HA ASP A 96 -7.011 -5.380 0.942 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.149 -4.122 0.565 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.429 -5.851 0.528 1.00 0.00 H new ATOM 297 N LEU A 97 -7.056 -2.937 1.979 1.00 0.00 N ATOM 298 CA LEU A 97 -6.584 -1.749 2.757 1.00 0.00 C ATOM 299 C LEU A 97 -6.963 -0.439 2.055 1.00 0.00 C ATOM 300 O LEU A 97 -6.628 -0.218 0.906 1.00 0.00 O ATOM 301 CB LEU A 97 -5.063 -1.913 2.807 1.00 0.00 C ATOM 302 CG LEU A 97 -4.435 -0.777 3.620 1.00 0.00 C ATOM 303 CD1 LEU A 97 -4.936 -0.836 5.066 1.00 0.00 C ATOM 304 CD2 LEU A 97 -2.912 -0.932 3.606 1.00 0.00 C ATOM 0 H LEU A 97 -7.180 -2.780 0.979 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.036 -1.700 3.748 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.808 -2.874 3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.657 -1.914 1.796 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.715 0.181 3.181 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.486 -0.026 5.640 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.021 -0.732 5.080 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.658 -1.792 5.509 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.459 -0.126 4.183 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.640 -1.891 4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.551 -0.889 2.578 1.00 0.00 H new ATOM 316 N SER A 98 -7.652 0.435 2.749 1.00 0.00 N ATOM 317 CA SER A 98 -8.051 1.741 2.141 1.00 0.00 C ATOM 318 C SER A 98 -7.030 2.823 2.493 1.00 0.00 C ATOM 319 O SER A 98 -6.881 3.195 3.641 1.00 0.00 O ATOM 320 CB SER A 98 -9.399 2.098 2.764 1.00 0.00 C ATOM 321 OG SER A 98 -10.132 0.915 3.058 1.00 0.00 O ATOM 0 H SER A 98 -7.955 0.298 3.713 1.00 0.00 H new ATOM 0 HA SER A 98 -8.105 1.670 1.055 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.245 2.675 3.676 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.969 2.727 2.080 1.00 0.00 H new ATOM 0 HG SER A 98 -10.994 1.155 3.458 1.00 0.00 H new ATOM 327 N PHE A 99 -6.341 3.339 1.511 1.00 0.00 N ATOM 328 CA PHE A 99 -5.335 4.419 1.777 1.00 0.00 C ATOM 329 C PHE A 99 -5.797 5.736 1.142 1.00 0.00 C ATOM 330 O PHE A 99 -6.940 5.867 0.737 1.00 0.00 O ATOM 331 CB PHE A 99 -4.001 3.941 1.177 1.00 0.00 C ATOM 332 CG PHE A 99 -4.177 3.419 -0.235 1.00 0.00 C ATOM 333 CD1 PHE A 99 -4.315 4.313 -1.301 1.00 0.00 C ATOM 334 CD2 PHE A 99 -4.176 2.039 -0.474 1.00 0.00 C ATOM 335 CE1 PHE A 99 -4.453 3.830 -2.609 1.00 0.00 C ATOM 336 CE2 PHE A 99 -4.319 1.554 -1.780 1.00 0.00 C ATOM 337 CZ PHE A 99 -4.455 2.450 -2.848 1.00 0.00 C ATOM 0 H PHE A 99 -6.428 3.062 0.533 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.221 4.606 2.845 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.287 4.765 1.174 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.580 3.156 1.805 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.315 5.377 -1.116 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.065 1.349 0.349 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.558 4.521 -3.432 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.324 0.490 -1.964 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.561 2.077 -3.856 1.00 0.00 H new ATOM 347 N GLN A 100 -4.935 6.728 1.085 1.00 0.00 N ATOM 348 CA GLN A 100 -5.354 8.041 0.514 1.00 0.00 C ATOM 349 C GLN A 100 -4.434 8.518 -0.618 1.00 0.00 C ATOM 350 O GLN A 100 -3.518 7.842 -1.039 1.00 0.00 O ATOM 351 CB GLN A 100 -5.309 9.018 1.690 1.00 0.00 C ATOM 352 CG GLN A 100 -6.579 9.864 1.684 1.00 0.00 C ATOM 353 CD GLN A 100 -6.830 10.431 3.081 1.00 0.00 C ATOM 354 OE1 GLN A 100 -6.998 9.688 4.028 1.00 0.00 O ATOM 355 NE2 GLN A 100 -6.869 11.723 3.252 1.00 0.00 N ATOM 0 H GLN A 100 -3.969 6.681 1.408 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.344 7.965 0.064 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.225 8.472 2.630 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.430 9.658 1.614 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.482 10.676 0.964 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.429 9.258 1.369 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -6.728 12.347 2.458 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -7.040 12.110 4.180 1.00 0.00 H new ATOM 364 N LYS A 101 -4.736 9.680 -1.131 1.00 0.00 N ATOM 365 CA LYS A 101 -3.972 10.271 -2.278 1.00 0.00 C ATOM 366 C LYS A 101 -2.494 10.530 -2.003 1.00 0.00 C ATOM 367 O LYS A 101 -1.700 10.620 -2.920 1.00 0.00 O ATOM 368 CB LYS A 101 -4.674 11.584 -2.563 1.00 0.00 C ATOM 369 CG LYS A 101 -4.202 12.119 -3.906 1.00 0.00 C ATOM 370 CD LYS A 101 -5.371 12.799 -4.611 1.00 0.00 C ATOM 371 CE LYS A 101 -6.362 11.734 -5.088 1.00 0.00 C ATOM 372 NZ LYS A 101 -7.523 12.501 -5.617 1.00 0.00 N ATOM 0 H LYS A 101 -5.502 10.264 -0.795 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.968 9.566 -3.109 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.754 11.438 -2.575 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.458 12.305 -1.774 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.386 12.827 -3.763 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.814 11.306 -4.520 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.865 13.494 -3.933 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -5.010 13.382 -5.458 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.922 11.102 -5.859 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.661 11.078 -4.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.247 11.840 -5.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.925 13.089 -4.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.209 13.111 -6.398 1.00 0.00 H new ATOM 386 N GLY A 102 -2.132 10.685 -0.782 1.00 0.00 N ATOM 387 CA GLY A 102 -0.706 10.969 -0.444 1.00 0.00 C ATOM 388 C GLY A 102 -0.345 10.203 0.816 1.00 0.00 C ATOM 389 O GLY A 102 0.305 10.716 1.707 1.00 0.00 O ATOM 0 H GLY A 102 -2.761 10.629 0.019 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -0.056 10.672 -1.267 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.559 12.038 -0.292 1.00 0.00 H new ATOM 393 N ASP A 103 -0.780 8.979 0.894 1.00 0.00 N ATOM 394 CA ASP A 103 -0.483 8.154 2.114 1.00 0.00 C ATOM 395 C ASP A 103 0.820 7.370 1.961 1.00 0.00 C ATOM 396 O ASP A 103 1.356 7.239 0.883 1.00 0.00 O ATOM 397 CB ASP A 103 -1.667 7.203 2.271 1.00 0.00 C ATOM 398 CG ASP A 103 -2.731 7.856 3.155 1.00 0.00 C ATOM 399 OD1 ASP A 103 -2.882 9.063 3.074 1.00 0.00 O ATOM 400 OD2 ASP A 103 -3.376 7.135 3.901 1.00 0.00 O ATOM 0 H ASP A 103 -1.327 8.508 0.173 1.00 0.00 H new ATOM 0 HA ASP A 103 -0.352 8.789 2.990 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.087 6.964 1.294 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -1.337 6.264 2.715 1.00 0.00 H new ATOM 405 N GLN A 104 1.315 6.831 3.044 1.00 0.00 N ATOM 406 CA GLN A 104 2.564 6.030 2.995 1.00 0.00 C ATOM 407 C GLN A 104 2.294 4.637 3.554 1.00 0.00 C ATOM 408 O GLN A 104 1.760 4.487 4.636 1.00 0.00 O ATOM 409 CB GLN A 104 3.563 6.773 3.881 1.00 0.00 C ATOM 410 CG GLN A 104 4.348 7.777 3.038 1.00 0.00 C ATOM 411 CD GLN A 104 5.787 7.855 3.553 1.00 0.00 C ATOM 412 OE1 GLN A 104 6.265 8.916 3.900 1.00 0.00 O ATOM 413 NE2 GLN A 104 6.500 6.764 3.621 1.00 0.00 N ATOM 0 H GLN A 104 0.898 6.916 3.971 1.00 0.00 H new ATOM 0 HA GLN A 104 2.942 5.913 1.979 1.00 0.00 H new ATOM 0 HB2 GLN A 104 3.038 7.289 4.684 1.00 0.00 H new ATOM 0 HB3 GLN A 104 4.246 6.064 4.350 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.340 7.474 1.991 1.00 0.00 H new ATOM 0 HG3 GLN A 104 3.878 8.759 3.090 1.00 0.00 H new ATOM 0 HE21 GLN A 104 6.098 5.873 3.329 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.459 6.802 3.966 1.00 0.00 H new ATOM 422 N MET A 105 2.663 3.624 2.824 1.00 0.00 N ATOM 423 CA MET A 105 2.437 2.233 3.300 1.00 0.00 C ATOM 424 C MET A 105 3.687 1.403 3.045 1.00 0.00 C ATOM 425 O MET A 105 4.407 1.631 2.095 1.00 0.00 O ATOM 426 CB MET A 105 1.266 1.707 2.466 1.00 0.00 C ATOM 427 CG MET A 105 0.025 2.578 2.708 1.00 0.00 C ATOM 428 SD MET A 105 -0.178 3.760 1.347 1.00 0.00 S ATOM 429 CE MET A 105 -0.622 2.568 0.059 1.00 0.00 C ATOM 0 H MET A 105 3.114 3.700 1.912 1.00 0.00 H new ATOM 0 HA MET A 105 2.222 2.185 4.367 1.00 0.00 H new ATOM 0 HB2 MET A 105 1.528 1.716 1.408 1.00 0.00 H new ATOM 0 HB3 MET A 105 1.053 0.672 2.733 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.861 1.948 2.789 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.124 3.112 3.653 1.00 0.00 H new ATOM 0 HE1 MET A 105 -1.460 2.954 -0.521 1.00 0.00 H new ATOM 0 HE2 MET A 105 0.232 2.409 -0.599 1.00 0.00 H new ATOM 0 HE3 MET A 105 -0.906 1.622 0.521 1.00 0.00 H new ATOM 439 N VAL A 106 3.948 0.440 3.883 1.00 0.00 N ATOM 440 CA VAL A 106 5.149 -0.416 3.682 1.00 0.00 C ATOM 441 C VAL A 106 4.695 -1.700 3.002 1.00 0.00 C ATOM 442 O VAL A 106 3.569 -2.112 3.151 1.00 0.00 O ATOM 443 CB VAL A 106 5.702 -0.711 5.078 1.00 0.00 C ATOM 444 CG1 VAL A 106 7.024 -1.466 4.960 1.00 0.00 C ATOM 445 CG2 VAL A 106 5.936 0.601 5.842 1.00 0.00 C ATOM 0 H VAL A 106 3.381 0.209 4.699 1.00 0.00 H new ATOM 0 HA VAL A 106 5.913 0.058 3.065 1.00 0.00 H new ATOM 0 HB VAL A 106 4.978 -1.320 5.620 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.414 -1.674 5.956 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.861 -2.405 4.431 1.00 0.00 H new ATOM 0 HG13 VAL A 106 7.742 -0.859 4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.329 0.379 6.834 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.652 1.217 5.297 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.993 1.139 5.938 1.00 0.00 H new ATOM 455 N VAL A 107 5.548 -2.332 2.260 1.00 0.00 N ATOM 456 CA VAL A 107 5.132 -3.590 1.570 1.00 0.00 C ATOM 457 C VAL A 107 5.520 -4.807 2.405 1.00 0.00 C ATOM 458 O VAL A 107 6.596 -4.885 2.966 1.00 0.00 O ATOM 459 CB VAL A 107 5.833 -3.599 0.206 1.00 0.00 C ATOM 460 CG1 VAL A 107 5.443 -4.862 -0.566 1.00 0.00 C ATOM 461 CG2 VAL A 107 5.389 -2.370 -0.591 1.00 0.00 C ATOM 0 H VAL A 107 6.512 -2.041 2.097 1.00 0.00 H new ATOM 0 HA VAL A 107 4.051 -3.632 1.439 1.00 0.00 H new ATOM 0 HB VAL A 107 6.913 -3.581 0.352 1.00 0.00 H new ATOM 0 HG11 VAL A 107 5.943 -4.865 -1.535 1.00 0.00 H new ATOM 0 HG12 VAL A 107 5.745 -5.743 0.001 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.363 -4.879 -0.715 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.883 -2.369 -1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 107 4.309 -2.399 -0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.659 -1.466 -0.046 1.00 0.00 H new ATOM 471 N LEU A 108 4.642 -5.760 2.461 1.00 0.00 N ATOM 472 CA LEU A 108 4.902 -7.007 3.222 1.00 0.00 C ATOM 473 C LEU A 108 5.447 -8.064 2.256 1.00 0.00 C ATOM 474 O LEU A 108 6.240 -8.913 2.617 1.00 0.00 O ATOM 475 CB LEU A 108 3.519 -7.443 3.725 1.00 0.00 C ATOM 476 CG LEU A 108 3.062 -6.579 4.907 1.00 0.00 C ATOM 477 CD1 LEU A 108 2.298 -5.367 4.391 1.00 0.00 C ATOM 478 CD2 LEU A 108 2.132 -7.409 5.804 1.00 0.00 C ATOM 0 H LEU A 108 3.733 -5.727 2.000 1.00 0.00 H new ATOM 0 HA LEU A 108 5.618 -6.874 4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.794 -7.368 2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 108 3.552 -8.490 4.027 1.00 0.00 H new ATOM 0 HG LEU A 108 3.933 -6.248 5.472 1.00 0.00 H new ATOM 0 HD11 LEU A 108 1.975 -4.755 5.233 1.00 0.00 H new ATOM 0 HD12 LEU A 108 2.946 -4.778 3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.426 -5.699 3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 108 1.802 -6.802 6.647 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.265 -7.732 5.229 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.668 -8.283 6.174 1.00 0.00 H new ATOM 490 N GLU A 109 5.014 -8.001 1.021 1.00 0.00 N ATOM 491 CA GLU A 109 5.475 -8.978 -0.008 1.00 0.00 C ATOM 492 C GLU A 109 5.320 -8.372 -1.408 1.00 0.00 C ATOM 493 O GLU A 109 4.598 -7.411 -1.597 1.00 0.00 O ATOM 494 CB GLU A 109 4.553 -10.188 0.150 1.00 0.00 C ATOM 495 CG GLU A 109 5.076 -11.093 1.267 1.00 0.00 C ATOM 496 CD GLU A 109 4.382 -12.454 1.186 1.00 0.00 C ATOM 497 OE1 GLU A 109 4.861 -13.297 0.446 1.00 0.00 O ATOM 498 OE2 GLU A 109 3.383 -12.628 1.864 1.00 0.00 O ATOM 0 H GLU A 109 4.352 -7.304 0.680 1.00 0.00 H new ATOM 0 HA GLU A 109 6.524 -9.246 0.116 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.540 -9.858 0.381 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.502 -10.743 -0.787 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.155 -11.217 1.174 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.890 -10.635 2.238 1.00 0.00 H new ATOM 505 N GLU A 110 5.971 -8.941 -2.390 1.00 0.00 N ATOM 506 CA GLU A 110 5.848 -8.420 -3.789 1.00 0.00 C ATOM 507 C GLU A 110 4.954 -9.362 -4.609 1.00 0.00 C ATOM 508 O GLU A 110 4.851 -10.538 -4.310 1.00 0.00 O ATOM 509 CB GLU A 110 7.274 -8.416 -4.341 1.00 0.00 C ATOM 510 CG GLU A 110 7.408 -7.311 -5.390 1.00 0.00 C ATOM 511 CD GLU A 110 8.775 -7.411 -6.072 1.00 0.00 C ATOM 512 OE1 GLU A 110 9.128 -8.502 -6.491 1.00 0.00 O ATOM 513 OE2 GLU A 110 9.445 -6.395 -6.163 1.00 0.00 O ATOM 0 H GLU A 110 6.586 -9.748 -2.284 1.00 0.00 H new ATOM 0 HA GLU A 110 5.400 -7.427 -3.829 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.988 -8.255 -3.533 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.507 -9.384 -4.784 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.614 -7.401 -6.131 1.00 0.00 H new ATOM 0 HG3 GLU A 110 7.296 -6.334 -4.920 1.00 0.00 H new ATOM 520 N SER A 111 4.306 -8.860 -5.633 1.00 0.00 N ATOM 521 CA SER A 111 3.423 -9.737 -6.465 1.00 0.00 C ATOM 522 C SER A 111 3.418 -9.267 -7.922 1.00 0.00 C ATOM 523 O SER A 111 3.927 -9.941 -8.798 1.00 0.00 O ATOM 524 CB SER A 111 2.028 -9.605 -5.856 1.00 0.00 C ATOM 525 OG SER A 111 1.087 -10.264 -6.693 1.00 0.00 O ATOM 0 H SER A 111 4.350 -7.884 -5.928 1.00 0.00 H new ATOM 0 HA SER A 111 3.768 -10.771 -6.468 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.012 -10.041 -4.857 1.00 0.00 H new ATOM 0 HB3 SER A 111 1.763 -8.553 -5.749 1.00 0.00 H new ATOM 0 HG SER A 111 0.191 -10.183 -6.305 1.00 0.00 H new ATOM 531 N GLY A 112 2.842 -8.122 -8.189 1.00 0.00 N ATOM 532 CA GLY A 112 2.798 -7.610 -9.591 1.00 0.00 C ATOM 533 C GLY A 112 1.968 -6.327 -9.643 1.00 0.00 C ATOM 534 O GLY A 112 2.490 -5.237 -9.503 1.00 0.00 O ATOM 0 H GLY A 112 2.400 -7.519 -7.495 1.00 0.00 H new ATOM 0 HA2 GLY A 112 3.809 -7.416 -9.950 1.00 0.00 H new ATOM 0 HA3 GLY A 112 2.365 -8.362 -10.250 1.00 0.00 H new ATOM 538 N GLU A 113 0.679 -6.452 -9.832 1.00 0.00 N ATOM 539 CA GLU A 113 -0.195 -5.240 -9.882 1.00 0.00 C ATOM 540 C GLU A 113 -0.894 -5.034 -8.532 1.00 0.00 C ATOM 541 O GLU A 113 -1.343 -3.947 -8.220 1.00 0.00 O ATOM 542 CB GLU A 113 -1.214 -5.526 -10.985 1.00 0.00 C ATOM 543 CG GLU A 113 -1.778 -4.205 -11.508 1.00 0.00 C ATOM 544 CD GLU A 113 -3.175 -4.439 -12.086 1.00 0.00 C ATOM 545 OE1 GLU A 113 -3.895 -5.253 -11.531 1.00 0.00 O ATOM 546 OE2 GLU A 113 -3.501 -3.800 -13.073 1.00 0.00 O ATOM 0 H GLU A 113 0.194 -7.341 -9.954 1.00 0.00 H new ATOM 0 HA GLU A 113 0.371 -4.331 -10.084 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -0.742 -6.080 -11.797 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.019 -6.151 -10.599 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -1.824 -3.473 -10.702 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -1.120 -3.794 -12.274 1.00 0.00 H new ATOM 553 N TRP A 114 -0.992 -6.068 -7.733 1.00 0.00 N ATOM 554 CA TRP A 114 -1.653 -5.944 -6.399 1.00 0.00 C ATOM 555 C TRP A 114 -0.660 -6.340 -5.303 1.00 0.00 C ATOM 556 O TRP A 114 -0.402 -7.510 -5.089 1.00 0.00 O ATOM 557 CB TRP A 114 -2.826 -6.926 -6.435 1.00 0.00 C ATOM 558 CG TRP A 114 -3.879 -6.423 -7.370 1.00 0.00 C ATOM 559 CD1 TRP A 114 -3.876 -6.600 -8.711 1.00 0.00 C ATOM 560 CD2 TRP A 114 -5.088 -5.669 -7.059 1.00 0.00 C ATOM 561 NE1 TRP A 114 -5.004 -6.002 -9.244 1.00 0.00 N ATOM 562 CE2 TRP A 114 -5.783 -5.415 -8.265 1.00 0.00 C ATOM 563 CE3 TRP A 114 -5.644 -5.186 -5.859 1.00 0.00 C ATOM 564 CZ2 TRP A 114 -6.985 -4.708 -8.282 1.00 0.00 C ATOM 565 CZ3 TRP A 114 -6.854 -4.474 -5.873 1.00 0.00 C ATOM 566 CH2 TRP A 114 -7.524 -4.236 -7.081 1.00 0.00 C ATOM 0 H TRP A 114 -0.639 -7.000 -7.951 1.00 0.00 H new ATOM 0 HA TRP A 114 -1.988 -4.928 -6.192 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -2.480 -7.908 -6.757 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -3.242 -7.046 -5.435 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -3.117 -7.123 -9.274 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -5.233 -5.995 -10.238 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -5.137 -5.364 -4.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -7.496 -4.526 -9.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -7.271 -4.107 -4.947 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -8.455 -3.689 -7.084 1.00 0.00 H new ATOM 577 N TRP A 115 -0.086 -5.379 -4.619 1.00 0.00 N ATOM 578 CA TRP A 115 0.907 -5.711 -3.551 1.00 0.00 C ATOM 579 C TRP A 115 0.257 -5.665 -2.167 1.00 0.00 C ATOM 580 O TRP A 115 -0.666 -4.912 -1.925 1.00 0.00 O ATOM 581 CB TRP A 115 1.995 -4.629 -3.651 1.00 0.00 C ATOM 582 CG TRP A 115 2.668 -4.653 -4.999 1.00 0.00 C ATOM 583 CD1 TRP A 115 2.691 -5.703 -5.861 1.00 0.00 C ATOM 584 CD2 TRP A 115 3.429 -3.589 -5.644 1.00 0.00 C ATOM 585 NE1 TRP A 115 3.410 -5.347 -6.987 1.00 0.00 N ATOM 586 CE2 TRP A 115 3.885 -4.055 -6.903 1.00 0.00 C ATOM 587 CE3 TRP A 115 3.761 -2.275 -5.264 1.00 0.00 C ATOM 588 CZ2 TRP A 115 4.642 -3.248 -7.751 1.00 0.00 C ATOM 589 CZ3 TRP A 115 4.525 -1.460 -6.118 1.00 0.00 C ATOM 590 CH2 TRP A 115 4.963 -1.946 -7.358 1.00 0.00 C ATOM 0 H TRP A 115 -0.262 -4.383 -4.754 1.00 0.00 H new ATOM 0 HA TRP A 115 1.308 -6.716 -3.683 1.00 0.00 H new ATOM 0 HB2 TRP A 115 1.552 -3.648 -3.481 1.00 0.00 H new ATOM 0 HB3 TRP A 115 2.738 -4.784 -2.868 1.00 0.00 H new ATOM 0 HD1 TRP A 115 2.223 -6.662 -5.694 1.00 0.00 H new ATOM 0 HE1 TRP A 115 3.570 -5.965 -7.783 1.00 0.00 H new ATOM 0 HE3 TRP A 115 3.427 -1.891 -4.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 4.978 -3.626 -8.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 4.776 -0.454 -5.817 1.00 0.00 H new ATOM 0 HH2 TRP A 115 5.548 -1.314 -8.009 1.00 0.00 H new ATOM 601 N LYS A 116 0.761 -6.453 -1.253 1.00 0.00 N ATOM 602 CA LYS A 116 0.207 -6.465 0.134 1.00 0.00 C ATOM 603 C LYS A 116 1.038 -5.514 1.002 1.00 0.00 C ATOM 604 O LYS A 116 2.201 -5.768 1.238 1.00 0.00 O ATOM 605 CB LYS A 116 0.381 -7.913 0.607 1.00 0.00 C ATOM 606 CG LYS A 116 -0.881 -8.383 1.333 1.00 0.00 C ATOM 607 CD LYS A 116 -0.934 -9.911 1.297 1.00 0.00 C ATOM 608 CE LYS A 116 -1.718 -10.428 2.506 1.00 0.00 C ATOM 609 NZ LYS A 116 -0.980 -11.645 2.946 1.00 0.00 N ATOM 0 H LYS A 116 1.539 -7.094 -1.409 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.834 -6.145 0.188 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.582 -8.561 -0.246 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.241 -7.986 1.272 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -0.876 -8.030 2.364 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.768 -7.964 0.857 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -1.407 -10.247 0.374 1.00 0.00 H new ATOM 0 HD3 LYS A 116 0.076 -10.320 1.304 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -1.759 -9.682 3.299 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -2.748 -10.665 2.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -1.456 -12.059 3.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -0.963 -12.340 2.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -0.005 -11.387 3.201 1.00 0.00 H new ATOM 623 N ALA A 117 0.473 -4.418 1.458 1.00 0.00 N ATOM 624 CA ALA A 117 1.277 -3.455 2.278 1.00 0.00 C ATOM 625 C ALA A 117 0.581 -3.094 3.600 1.00 0.00 C ATOM 626 O ALA A 117 -0.588 -3.360 3.805 1.00 0.00 O ATOM 627 CB ALA A 117 1.403 -2.211 1.400 1.00 0.00 C ATOM 0 H ALA A 117 -0.499 -4.152 1.300 1.00 0.00 H new ATOM 0 HA ALA A 117 2.239 -3.886 2.556 1.00 0.00 H new ATOM 0 HB1 ALA A 117 1.981 -1.451 1.926 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.909 -2.472 0.470 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.410 -1.822 1.176 1.00 0.00 H new ATOM 633 N ARG A 118 1.316 -2.482 4.498 1.00 0.00 N ATOM 634 CA ARG A 118 0.753 -2.092 5.811 1.00 0.00 C ATOM 635 C ARG A 118 0.681 -0.563 5.926 1.00 0.00 C ATOM 636 O ARG A 118 1.670 0.128 5.782 1.00 0.00 O ATOM 637 CB ARG A 118 1.742 -2.686 6.827 1.00 0.00 C ATOM 638 CG ARG A 118 1.424 -2.216 8.256 1.00 0.00 C ATOM 639 CD ARG A 118 2.705 -1.723 8.941 1.00 0.00 C ATOM 640 NE ARG A 118 2.316 -1.479 10.369 1.00 0.00 N ATOM 641 CZ ARG A 118 3.211 -1.134 11.275 1.00 0.00 C ATOM 642 NH1 ARG A 118 4.472 -0.954 10.962 1.00 0.00 N ATOM 643 NH2 ARG A 118 2.835 -0.964 12.513 1.00 0.00 N ATOM 0 H ARG A 118 2.297 -2.236 4.366 1.00 0.00 H new ATOM 0 HA ARG A 118 -0.264 -2.453 5.968 1.00 0.00 H new ATOM 0 HB2 ARG A 118 1.703 -3.774 6.783 1.00 0.00 H new ATOM 0 HB3 ARG A 118 2.758 -2.393 6.563 1.00 0.00 H new ATOM 0 HG2 ARG A 118 0.685 -1.416 8.229 1.00 0.00 H new ATOM 0 HG3 ARG A 118 0.987 -3.034 8.828 1.00 0.00 H new ATOM 0 HD2 ARG A 118 3.500 -2.465 8.870 1.00 0.00 H new ATOM 0 HD3 ARG A 118 3.077 -0.812 8.473 1.00 0.00 H new ATOM 0 HE ARG A 118 1.340 -1.582 10.645 1.00 0.00 H new ATOM 0 HH11 ARG A 118 4.781 -1.081 9.998 1.00 0.00 H new ATOM 0 HH12 ARG A 118 5.143 -0.687 11.682 1.00 0.00 H new ATOM 0 HH21 ARG A 118 1.858 -1.098 12.772 1.00 0.00 H new ATOM 0 HH22 ARG A 118 3.519 -0.697 13.222 1.00 0.00 H new ATOM 657 N SER A 119 -0.487 -0.043 6.210 1.00 0.00 N ATOM 658 CA SER A 119 -0.640 1.433 6.364 1.00 0.00 C ATOM 659 C SER A 119 -0.111 1.853 7.737 1.00 0.00 C ATOM 660 O SER A 119 -0.653 1.465 8.760 1.00 0.00 O ATOM 661 CB SER A 119 -2.143 1.698 6.270 1.00 0.00 C ATOM 662 OG SER A 119 -2.381 3.094 6.381 1.00 0.00 O ATOM 0 H SER A 119 -1.343 -0.581 6.342 1.00 0.00 H new ATOM 0 HA SER A 119 -0.088 1.992 5.608 1.00 0.00 H new ATOM 0 HB2 SER A 119 -2.531 1.325 5.322 1.00 0.00 H new ATOM 0 HB3 SER A 119 -2.668 1.164 7.062 1.00 0.00 H new ATOM 0 HG SER A 119 -3.344 3.268 6.320 1.00 0.00 H new ATOM 668 N LEU A 120 0.942 2.630 7.765 1.00 0.00 N ATOM 669 CA LEU A 120 1.522 3.074 9.072 1.00 0.00 C ATOM 670 C LEU A 120 0.574 4.041 9.781 1.00 0.00 C ATOM 671 O LEU A 120 0.604 4.172 10.991 1.00 0.00 O ATOM 672 CB LEU A 120 2.832 3.778 8.714 1.00 0.00 C ATOM 673 CG LEU A 120 3.820 2.758 8.147 1.00 0.00 C ATOM 674 CD1 LEU A 120 4.851 3.475 7.276 1.00 0.00 C ATOM 675 CD2 LEU A 120 4.533 2.043 9.299 1.00 0.00 C ATOM 0 H LEU A 120 1.427 2.978 6.938 1.00 0.00 H new ATOM 0 HA LEU A 120 1.681 2.235 9.750 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.646 4.565 7.984 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.254 4.256 9.598 1.00 0.00 H new ATOM 0 HG LEU A 120 3.281 2.027 7.544 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.555 2.747 6.872 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.344 3.983 6.456 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.390 4.206 7.878 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.237 1.316 8.895 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.072 2.773 9.903 1.00 0.00 H new ATOM 0 HD23 LEU A 120 3.798 1.530 9.920 1.00 0.00 H new ATOM 687 N ALA A 121 -0.268 4.720 9.041 1.00 0.00 N ATOM 688 CA ALA A 121 -1.225 5.677 9.679 1.00 0.00 C ATOM 689 C ALA A 121 -2.139 4.930 10.655 1.00 0.00 C ATOM 690 O ALA A 121 -2.633 5.496 11.610 1.00 0.00 O ATOM 691 CB ALA A 121 -2.039 6.269 8.526 1.00 0.00 C ATOM 0 H ALA A 121 -0.334 4.653 8.025 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.713 6.453 10.248 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -2.763 6.982 8.920 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -1.370 6.778 7.832 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.564 5.470 8.003 1.00 0.00 H new ATOM 697 N THR A 122 -2.358 3.659 10.421 1.00 0.00 N ATOM 698 CA THR A 122 -3.230 2.861 11.333 1.00 0.00 C ATOM 699 C THR A 122 -2.597 1.491 11.634 1.00 0.00 C ATOM 700 O THR A 122 -3.225 0.631 12.220 1.00 0.00 O ATOM 701 CB THR A 122 -4.548 2.690 10.570 1.00 0.00 C ATOM 702 OG1 THR A 122 -4.276 2.207 9.261 1.00 0.00 O ATOM 703 CG2 THR A 122 -5.272 4.037 10.479 1.00 0.00 C ATOM 0 H THR A 122 -1.968 3.140 9.634 1.00 0.00 H new ATOM 0 HA THR A 122 -3.373 3.353 12.295 1.00 0.00 H new ATOM 0 HB THR A 122 -5.182 1.977 11.098 1.00 0.00 H new ATOM 0 HG1 THR A 122 -5.093 2.246 8.721 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.208 3.911 9.936 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.482 4.406 11.483 1.00 0.00 H new ATOM 0 HG23 THR A 122 -4.642 4.754 9.953 1.00 0.00 H new ATOM 711 N ARG A 123 -1.357 1.278 11.240 1.00 0.00 N ATOM 712 CA ARG A 123 -0.678 -0.039 11.498 1.00 0.00 C ATOM 713 C ARG A 123 -1.519 -1.195 10.947 1.00 0.00 C ATOM 714 O ARG A 123 -1.489 -2.294 11.466 1.00 0.00 O ATOM 715 CB ARG A 123 -0.557 -0.159 13.023 1.00 0.00 C ATOM 716 CG ARG A 123 0.222 1.038 13.585 1.00 0.00 C ATOM 717 CD ARG A 123 1.197 0.565 14.673 1.00 0.00 C ATOM 718 NE ARG A 123 0.765 1.257 15.942 1.00 0.00 N ATOM 719 CZ ARG A 123 0.708 2.569 16.054 1.00 0.00 C ATOM 720 NH1 ARG A 123 1.153 3.355 15.103 1.00 0.00 N ATOM 721 NH2 ARG A 123 0.237 3.097 17.150 1.00 0.00 N ATOM 0 H ARG A 123 -0.784 1.964 10.748 1.00 0.00 H new ATOM 0 HA ARG A 123 0.295 -0.084 11.009 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -1.549 -0.201 13.472 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -0.050 -1.088 13.284 1.00 0.00 H new ATOM 0 HG2 ARG A 123 0.770 1.534 12.784 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -0.470 1.771 13.999 1.00 0.00 H new ATOM 0 HD2 ARG A 123 1.160 -0.518 14.787 1.00 0.00 H new ATOM 0 HD3 ARG A 123 2.224 0.824 14.417 1.00 0.00 H new ATOM 0 HE ARG A 123 0.506 0.686 16.747 1.00 0.00 H new ATOM 0 HH11 ARG A 123 1.553 2.953 14.255 1.00 0.00 H new ATOM 0 HH12 ARG A 123 1.099 4.368 15.211 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -0.083 2.496 17.909 1.00 0.00 H new ATOM 0 HH22 ARG A 123 0.188 4.111 17.248 1.00 0.00 H new ATOM 735 N LYS A 124 -2.257 -0.955 9.893 1.00 0.00 N ATOM 736 CA LYS A 124 -3.093 -2.041 9.298 1.00 0.00 C ATOM 737 C LYS A 124 -2.374 -2.623 8.089 1.00 0.00 C ATOM 738 O LYS A 124 -1.321 -2.156 7.723 1.00 0.00 O ATOM 739 CB LYS A 124 -4.393 -1.360 8.869 1.00 0.00 C ATOM 740 CG LYS A 124 -5.088 -0.749 10.091 1.00 0.00 C ATOM 741 CD LYS A 124 -6.332 -1.565 10.450 1.00 0.00 C ATOM 742 CE LYS A 124 -7.475 -1.206 9.497 1.00 0.00 C ATOM 743 NZ LYS A 124 -8.325 -0.249 10.259 1.00 0.00 N ATOM 0 H LYS A 124 -2.317 -0.054 9.419 1.00 0.00 H new ATOM 0 HA LYS A 124 -3.281 -2.857 9.996 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -4.182 -0.584 8.134 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -5.052 -2.083 8.389 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -4.401 -0.727 10.937 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -5.368 0.283 9.882 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -6.112 -2.630 10.384 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -6.627 -1.363 11.480 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -7.097 -0.755 8.580 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -8.040 -2.092 9.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -9.131 0.044 9.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -8.676 -0.709 11.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -7.762 0.587 10.515 1.00 0.00 H new ATOM 757 N GLU A 125 -2.936 -3.623 7.460 1.00 0.00 N ATOM 758 CA GLU A 125 -2.267 -4.218 6.257 1.00 0.00 C ATOM 759 C GLU A 125 -3.274 -4.901 5.343 1.00 0.00 C ATOM 760 O GLU A 125 -4.179 -5.586 5.783 1.00 0.00 O ATOM 761 CB GLU A 125 -1.199 -5.224 6.748 1.00 0.00 C ATOM 762 CG GLU A 125 -1.582 -5.876 8.085 1.00 0.00 C ATOM 763 CD GLU A 125 -2.869 -6.685 7.918 1.00 0.00 C ATOM 764 OE1 GLU A 125 -2.801 -7.754 7.334 1.00 0.00 O ATOM 765 OE2 GLU A 125 -3.901 -6.224 8.378 1.00 0.00 O ATOM 0 H GLU A 125 -3.823 -4.053 7.722 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.797 -3.427 5.673 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -1.060 -6.000 5.995 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -0.243 -4.711 6.857 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -0.776 -6.525 8.428 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -1.720 -5.109 8.847 1.00 0.00 H new ATOM 772 N GLY A 126 -3.102 -4.721 4.061 1.00 0.00 N ATOM 773 CA GLY A 126 -4.021 -5.351 3.079 1.00 0.00 C ATOM 774 C GLY A 126 -3.427 -5.220 1.675 1.00 0.00 C ATOM 775 O GLY A 126 -2.226 -5.164 1.507 1.00 0.00 O ATOM 0 H GLY A 126 -2.356 -4.159 3.652 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -4.171 -6.402 3.326 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -4.999 -4.871 3.119 1.00 0.00 H new ATOM 779 N TYR A 127 -4.265 -5.158 0.673 1.00 0.00 N ATOM 780 CA TYR A 127 -3.773 -5.036 -0.735 1.00 0.00 C ATOM 781 C TYR A 127 -3.717 -3.568 -1.162 1.00 0.00 C ATOM 782 O TYR A 127 -4.329 -2.708 -0.558 1.00 0.00 O ATOM 783 CB TYR A 127 -4.813 -5.765 -1.597 1.00 0.00 C ATOM 784 CG TYR A 127 -5.010 -7.189 -1.127 1.00 0.00 C ATOM 785 CD1 TYR A 127 -3.984 -8.130 -1.267 1.00 0.00 C ATOM 786 CD2 TYR A 127 -6.233 -7.565 -0.563 1.00 0.00 C ATOM 787 CE1 TYR A 127 -4.184 -9.448 -0.838 1.00 0.00 C ATOM 788 CE2 TYR A 127 -6.433 -8.878 -0.132 1.00 0.00 C ATOM 789 CZ TYR A 127 -5.408 -9.822 -0.268 1.00 0.00 C ATOM 790 OH TYR A 127 -5.606 -11.120 0.154 1.00 0.00 O ATOM 0 H TYR A 127 -5.280 -5.187 0.770 1.00 0.00 H new ATOM 0 HA TYR A 127 -2.771 -5.453 -0.839 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -5.762 -5.231 -1.556 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -4.491 -5.764 -2.638 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -3.040 -7.841 -1.705 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -7.025 -6.838 -0.460 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -3.394 -10.177 -0.947 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -7.378 -9.165 0.306 1.00 0.00 H new ATOM 0 HH TYR A 127 -6.508 -11.209 0.526 1.00 0.00 H new ATOM 800 N ILE A 128 -2.993 -3.286 -2.215 1.00 0.00 N ATOM 801 CA ILE A 128 -2.887 -1.881 -2.719 1.00 0.00 C ATOM 802 C ILE A 128 -2.535 -1.888 -4.220 1.00 0.00 C ATOM 803 O ILE A 128 -1.448 -2.289 -4.588 1.00 0.00 O ATOM 804 CB ILE A 128 -1.773 -1.199 -1.905 1.00 0.00 C ATOM 805 CG1 ILE A 128 -0.543 -2.113 -1.782 1.00 0.00 C ATOM 806 CG2 ILE A 128 -2.302 -0.868 -0.510 1.00 0.00 C ATOM 807 CD1 ILE A 128 0.726 -1.261 -1.760 1.00 0.00 C ATOM 0 H ILE A 128 -2.466 -3.974 -2.752 1.00 0.00 H new ATOM 0 HA ILE A 128 -3.830 -1.346 -2.604 1.00 0.00 H new ATOM 0 HB ILE A 128 -1.473 -0.287 -2.421 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -0.609 -2.709 -0.872 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -0.510 -2.811 -2.618 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -1.517 -0.385 0.072 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -3.157 -0.197 -0.595 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -2.610 -1.786 -0.010 1.00 0.00 H new ATOM 0 HD11 ILE A 128 1.598 -1.909 -1.673 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.793 -0.685 -2.683 1.00 0.00 H new ATOM 0 HD13 ILE A 128 0.693 -0.581 -0.909 1.00 0.00 H new ATOM 819 N PRO A 129 -3.468 -1.464 -5.056 1.00 0.00 N ATOM 820 CA PRO A 129 -3.225 -1.450 -6.529 1.00 0.00 C ATOM 821 C PRO A 129 -1.887 -0.787 -6.887 1.00 0.00 C ATOM 822 O PRO A 129 -1.727 0.417 -6.805 1.00 0.00 O ATOM 823 CB PRO A 129 -4.395 -0.645 -7.083 1.00 0.00 C ATOM 824 CG PRO A 129 -5.482 -0.798 -6.070 1.00 0.00 C ATOM 825 CD PRO A 129 -4.816 -0.961 -4.730 1.00 0.00 C ATOM 0 HA PRO A 129 -3.163 -2.457 -6.942 1.00 0.00 H new ATOM 0 HB2 PRO A 129 -4.125 0.402 -7.217 1.00 0.00 H new ATOM 0 HB3 PRO A 129 -4.707 -1.021 -8.057 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -6.136 0.074 -6.072 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -6.104 -1.663 -6.299 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -4.769 -0.015 -4.191 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -5.360 -1.662 -4.097 1.00 0.00 H new ATOM 833 N SER A 130 -0.935 -1.580 -7.299 1.00 0.00 N ATOM 834 CA SER A 130 0.408 -1.041 -7.684 1.00 0.00 C ATOM 835 C SER A 130 0.302 -0.062 -8.864 1.00 0.00 C ATOM 836 O SER A 130 1.226 0.682 -9.140 1.00 0.00 O ATOM 837 CB SER A 130 1.212 -2.267 -8.115 1.00 0.00 C ATOM 838 OG SER A 130 1.152 -3.252 -7.094 1.00 0.00 O ATOM 0 H SER A 130 -1.029 -2.592 -7.387 1.00 0.00 H new ATOM 0 HA SER A 130 0.865 -0.495 -6.859 1.00 0.00 H new ATOM 0 HB2 SER A 130 0.813 -2.668 -9.047 1.00 0.00 H new ATOM 0 HB3 SER A 130 2.248 -1.988 -8.306 1.00 0.00 H new ATOM 0 HG SER A 130 2.029 -3.332 -6.664 1.00 0.00 H new ATOM 844 N ASN A 131 -0.795 -0.079 -9.583 1.00 0.00 N ATOM 845 CA ASN A 131 -0.935 0.834 -10.765 1.00 0.00 C ATOM 846 C ASN A 131 -1.244 2.285 -10.350 1.00 0.00 C ATOM 847 O ASN A 131 -1.416 3.142 -11.197 1.00 0.00 O ATOM 848 CB ASN A 131 -2.085 0.251 -11.595 1.00 0.00 C ATOM 849 CG ASN A 131 -3.369 0.190 -10.760 1.00 0.00 C ATOM 850 OD1 ASN A 131 -3.646 1.073 -9.972 1.00 0.00 O ATOM 851 ND2 ASN A 131 -4.173 -0.828 -10.905 1.00 0.00 N ATOM 0 H ASN A 131 -1.597 -0.683 -9.405 1.00 0.00 H new ATOM 0 HA ASN A 131 -0.002 0.885 -11.327 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -2.249 0.863 -12.482 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -1.821 -0.748 -11.942 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -5.032 -0.881 -10.358 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -3.942 -1.570 -11.566 1.00 0.00 H new ATOM 858 N TYR A 132 -1.320 2.572 -9.070 1.00 0.00 N ATOM 859 CA TYR A 132 -1.610 3.978 -8.628 1.00 0.00 C ATOM 860 C TYR A 132 -0.785 4.309 -7.379 1.00 0.00 C ATOM 861 O TYR A 132 -1.298 4.833 -6.406 1.00 0.00 O ATOM 862 CB TYR A 132 -3.105 4.002 -8.290 1.00 0.00 C ATOM 863 CG TYR A 132 -3.911 4.343 -9.522 1.00 0.00 C ATOM 864 CD1 TYR A 132 -3.602 5.483 -10.274 1.00 0.00 C ATOM 865 CD2 TYR A 132 -4.976 3.520 -9.910 1.00 0.00 C ATOM 866 CE1 TYR A 132 -4.354 5.799 -11.410 1.00 0.00 C ATOM 867 CE2 TYR A 132 -5.727 3.836 -11.050 1.00 0.00 C ATOM 868 CZ TYR A 132 -5.416 4.976 -11.799 1.00 0.00 C ATOM 869 OH TYR A 132 -6.158 5.290 -12.918 1.00 0.00 O ATOM 0 H TYR A 132 -1.195 1.898 -8.315 1.00 0.00 H new ATOM 0 HA TYR A 132 -1.357 4.709 -9.396 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -3.413 3.031 -7.901 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -3.297 4.735 -7.506 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -2.782 6.119 -9.976 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -5.218 2.642 -9.330 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -4.114 6.680 -11.988 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -6.546 3.199 -11.351 1.00 0.00 H new ATOM 0 HH TYR A 132 -6.856 4.615 -13.048 1.00 0.00 H new ATOM 879 N VAL A 133 0.483 3.994 -7.397 1.00 0.00 N ATOM 880 CA VAL A 133 1.343 4.263 -6.204 1.00 0.00 C ATOM 881 C VAL A 133 2.812 4.415 -6.613 1.00 0.00 C ATOM 882 O VAL A 133 3.199 4.109 -7.723 1.00 0.00 O ATOM 883 CB VAL A 133 1.142 3.033 -5.298 1.00 0.00 C ATOM 884 CG1 VAL A 133 1.414 1.742 -6.085 1.00 0.00 C ATOM 885 CG2 VAL A 133 2.078 3.086 -4.088 1.00 0.00 C ATOM 0 H VAL A 133 0.962 3.561 -8.187 1.00 0.00 H new ATOM 0 HA VAL A 133 1.076 5.192 -5.700 1.00 0.00 H new ATOM 0 HB VAL A 133 0.109 3.041 -4.950 1.00 0.00 H new ATOM 0 HG11 VAL A 133 1.268 0.881 -5.433 1.00 0.00 H new ATOM 0 HG12 VAL A 133 0.727 1.679 -6.929 1.00 0.00 H new ATOM 0 HG13 VAL A 133 2.440 1.749 -6.453 1.00 0.00 H new ATOM 0 HG21 VAL A 133 1.917 2.207 -3.464 1.00 0.00 H new ATOM 0 HG22 VAL A 133 3.113 3.104 -4.429 1.00 0.00 H new ATOM 0 HG23 VAL A 133 1.872 3.985 -3.508 1.00 0.00 H new ATOM 895 N ALA A 134 3.624 4.873 -5.700 1.00 0.00 N ATOM 896 CA ALA A 134 5.085 5.040 -5.992 1.00 0.00 C ATOM 897 C ALA A 134 5.903 4.194 -5.007 1.00 0.00 C ATOM 898 O ALA A 134 5.690 4.245 -3.812 1.00 0.00 O ATOM 899 CB ALA A 134 5.368 6.533 -5.797 1.00 0.00 C ATOM 0 H ALA A 134 3.341 5.141 -4.758 1.00 0.00 H new ATOM 0 HA ALA A 134 5.353 4.715 -6.997 1.00 0.00 H new ATOM 0 HB1 ALA A 134 6.421 6.732 -5.994 1.00 0.00 H new ATOM 0 HB2 ALA A 134 4.754 7.113 -6.486 1.00 0.00 H new ATOM 0 HB3 ALA A 134 5.130 6.818 -4.772 1.00 0.00 H new ATOM 905 N ARG A 135 6.812 3.390 -5.506 1.00 0.00 N ATOM 906 CA ARG A 135 7.618 2.505 -4.622 1.00 0.00 C ATOM 907 C ARG A 135 8.994 3.098 -4.277 1.00 0.00 C ATOM 908 O ARG A 135 9.826 3.311 -5.137 1.00 0.00 O ATOM 909 CB ARG A 135 7.795 1.236 -5.453 1.00 0.00 C ATOM 910 CG ARG A 135 8.542 0.176 -4.640 1.00 0.00 C ATOM 911 CD ARG A 135 7.689 -1.094 -4.499 1.00 0.00 C ATOM 912 NE ARG A 135 8.582 -2.238 -4.916 1.00 0.00 N ATOM 913 CZ ARG A 135 9.129 -2.315 -6.113 1.00 0.00 C ATOM 914 NH1 ARG A 135 8.811 -1.469 -7.062 1.00 0.00 N ATOM 915 NH2 ARG A 135 9.967 -3.281 -6.374 1.00 0.00 N ATOM 0 H ARG A 135 7.028 3.312 -6.500 1.00 0.00 H new ATOM 0 HA ARG A 135 7.125 2.348 -3.662 1.00 0.00 H new ATOM 0 HB2 ARG A 135 6.821 0.853 -5.758 1.00 0.00 H new ATOM 0 HB3 ARG A 135 8.348 1.463 -6.365 1.00 0.00 H new ATOM 0 HG2 ARG A 135 9.487 -0.066 -5.127 1.00 0.00 H new ATOM 0 HG3 ARG A 135 8.784 0.570 -3.653 1.00 0.00 H new ATOM 0 HD2 ARG A 135 7.344 -1.221 -3.473 1.00 0.00 H new ATOM 0 HD3 ARG A 135 6.801 -1.041 -5.130 1.00 0.00 H new ATOM 0 HE ARG A 135 8.770 -2.982 -4.244 1.00 0.00 H new ATOM 0 HH11 ARG A 135 8.128 -0.733 -6.881 1.00 0.00 H new ATOM 0 HH12 ARG A 135 9.246 -1.546 -7.981 1.00 0.00 H new ATOM 0 HH21 ARG A 135 10.193 -3.968 -5.655 1.00 0.00 H new ATOM 0 HH22 ARG A 135 10.395 -3.349 -7.297 1.00 0.00 H new