USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 331 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 182 TYR OH : rot 167:sc= 0.891 USER MOD Set 1.2: A 186 LYS NZ :NH3+ -179:sc= 1.37 (180deg=0.0933) USER MOD Set 2.1: A 181 GLN : amide:sc= 0.785 K(o=1.7,f=-4.2!) USER MOD Set 2.2: A 185 LYS NZ :NH3+ 173:sc= 0.938 (180deg=0) USER MOD Single : A 152 SER OG : rot 180:sc= -2.13! USER MOD Single : A 162 SER OG : rot -37:sc= 0.883 USER MOD Single : A 164 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 169 LYS NZ :NH3+ -170:sc= -0.0118 (180deg=-0.119) USER MOD Single : A 173 GLN : amide:sc= -1.43 K(o=-1.4,f=-2.6!) USER MOD Single : A 188 LYS NZ :NH3+ 169:sc= 1.27 (180deg=1.12) USER MOD Single : A 189 LYS NZ :NH3+ 137:sc= 1.35 (180deg=0.755) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 149 0.517 -10.318 -13.635 1.00 0.00 N ATOM 2 CA GLY A 149 -0.596 -10.170 -14.567 1.00 0.00 C ATOM 3 C GLY A 149 -1.458 -11.395 -14.570 1.00 0.00 C ATOM 4 O GLY A 149 -1.157 -12.346 -13.837 1.00 0.00 O ATOM 0 HA2 GLY A 149 -1.193 -9.301 -14.291 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -0.213 -9.988 -15.571 1.00 0.00 H new ATOM 10 N PRO A 150 -2.537 -11.415 -15.382 1.00 0.00 N ATOM 11 CA PRO A 150 -3.443 -12.563 -15.471 1.00 0.00 C ATOM 12 C PRO A 150 -2.689 -13.818 -15.898 1.00 0.00 C ATOM 13 O PRO A 150 -2.070 -13.851 -16.969 1.00 0.00 O ATOM 14 CB PRO A 150 -4.454 -12.156 -16.552 1.00 0.00 C ATOM 15 CG PRO A 150 -4.367 -10.672 -16.623 1.00 0.00 C ATOM 16 CD PRO A 150 -2.950 -10.321 -16.279 1.00 0.00 C ATOM 0 HA PRO A 150 -3.913 -12.797 -14.516 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -4.210 -12.612 -17.512 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -5.462 -12.480 -16.292 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -4.626 -10.314 -17.619 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -5.064 -10.207 -15.926 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -2.321 -10.271 -17.168 1.00 0.00 H new ATOM 0 HD3 PRO A 150 -2.884 -9.351 -15.787 1.00 0.00 H new ATOM 24 N GLY A 151 -2.693 -14.801 -15.052 1.00 0.00 N ATOM 25 CA GLY A 151 -2.001 -16.022 -15.332 1.00 0.00 C ATOM 26 C GLY A 151 -1.809 -16.813 -14.082 1.00 0.00 C ATOM 27 O GLY A 151 -0.671 -17.055 -13.667 1.00 0.00 O ATOM 0 H GLY A 151 -3.173 -14.781 -14.152 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -2.565 -16.608 -16.057 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -1.033 -15.803 -15.783 1.00 0.00 H new ATOM 31 N SER A 152 -2.929 -17.129 -13.439 1.00 0.00 N ATOM 32 CA SER A 152 -2.974 -17.928 -12.229 1.00 0.00 C ATOM 33 C SER A 152 -2.425 -17.126 -11.059 1.00 0.00 C ATOM 34 O SER A 152 -1.234 -17.150 -10.769 1.00 0.00 O ATOM 35 CB SER A 152 -2.235 -19.277 -12.417 1.00 0.00 C ATOM 36 OG SER A 152 -2.479 -20.186 -11.360 1.00 0.00 O ATOM 0 H SER A 152 -3.850 -16.827 -13.756 1.00 0.00 H new ATOM 0 HA SER A 152 -4.012 -18.176 -12.007 1.00 0.00 H new ATOM 0 HB2 SER A 152 -2.547 -19.729 -13.359 1.00 0.00 H new ATOM 0 HB3 SER A 152 -1.163 -19.092 -12.492 1.00 0.00 H new ATOM 0 HG SER A 152 -1.992 -21.020 -11.527 1.00 0.00 H new ATOM 42 N GLU A 153 -3.284 -16.364 -10.428 1.00 0.00 N ATOM 43 CA GLU A 153 -2.852 -15.524 -9.346 1.00 0.00 C ATOM 44 C GLU A 153 -3.084 -16.164 -7.984 1.00 0.00 C ATOM 45 O GLU A 153 -2.120 -16.433 -7.245 1.00 0.00 O ATOM 46 CB GLU A 153 -3.503 -14.152 -9.423 1.00 0.00 C ATOM 47 CG GLU A 153 -3.054 -13.213 -8.322 1.00 0.00 C ATOM 48 CD GLU A 153 -3.665 -11.854 -8.425 1.00 0.00 C ATOM 49 OE1 GLU A 153 -4.757 -11.649 -7.866 1.00 0.00 O ATOM 50 OE2 GLU A 153 -3.052 -10.970 -9.056 1.00 0.00 O ATOM 0 H GLU A 153 -4.279 -16.310 -10.645 1.00 0.00 H new ATOM 0 HA GLU A 153 -1.775 -15.398 -9.457 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -3.275 -13.703 -10.390 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -4.586 -14.268 -9.373 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -3.310 -13.647 -7.356 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -1.968 -13.120 -8.352 1.00 0.00 H new ATOM 57 N ASP A 154 -4.333 -16.404 -7.622 1.00 0.00 N ATOM 58 CA ASP A 154 -4.593 -16.935 -6.293 1.00 0.00 C ATOM 59 C ASP A 154 -4.515 -18.447 -6.257 1.00 0.00 C ATOM 60 O ASP A 154 -3.546 -18.995 -5.727 1.00 0.00 O ATOM 61 CB ASP A 154 -5.921 -16.438 -5.736 1.00 0.00 C ATOM 62 CG ASP A 154 -6.228 -17.021 -4.379 1.00 0.00 C ATOM 63 OD1 ASP A 154 -5.551 -16.669 -3.401 1.00 0.00 O ATOM 64 OD2 ASP A 154 -7.147 -17.842 -4.279 1.00 0.00 O ATOM 0 H ASP A 154 -5.156 -16.247 -8.204 1.00 0.00 H new ATOM 0 HA ASP A 154 -3.802 -16.556 -5.646 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -5.898 -15.351 -5.665 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -6.722 -16.695 -6.429 1.00 0.00 H new ATOM 69 N ASP A 155 -5.500 -19.135 -6.787 1.00 0.00 N ATOM 70 CA ASP A 155 -5.377 -20.583 -6.880 1.00 0.00 C ATOM 71 C ASP A 155 -4.862 -20.956 -8.246 1.00 0.00 C ATOM 72 O ASP A 155 -3.685 -21.285 -8.414 1.00 0.00 O ATOM 73 CB ASP A 155 -6.711 -21.282 -6.580 1.00 0.00 C ATOM 74 CG ASP A 155 -6.660 -22.785 -6.802 1.00 0.00 C ATOM 75 OD1 ASP A 155 -6.091 -23.505 -5.971 1.00 0.00 O ATOM 76 OD2 ASP A 155 -7.198 -23.270 -7.823 1.00 0.00 O ATOM 0 H ASP A 155 -6.368 -18.740 -7.150 1.00 0.00 H new ATOM 0 HA ASP A 155 -4.666 -20.922 -6.127 1.00 0.00 H new ATOM 0 HB2 ASP A 155 -6.994 -21.083 -5.546 1.00 0.00 H new ATOM 0 HB3 ASP A 155 -7.489 -20.854 -7.212 1.00 0.00 H new ATOM 81 N ASP A 156 -5.737 -20.852 -9.226 1.00 0.00 N ATOM 82 CA ASP A 156 -5.386 -21.001 -10.624 1.00 0.00 C ATOM 83 C ASP A 156 -6.057 -19.914 -11.423 1.00 0.00 C ATOM 84 O ASP A 156 -5.525 -19.398 -12.400 1.00 0.00 O ATOM 85 CB ASP A 156 -5.753 -22.371 -11.166 1.00 0.00 C ATOM 86 CG ASP A 156 -5.257 -22.563 -12.591 1.00 0.00 C ATOM 87 OD1 ASP A 156 -4.067 -22.283 -12.860 1.00 0.00 O ATOM 88 OD2 ASP A 156 -6.050 -22.964 -13.472 1.00 0.00 O ATOM 0 H ASP A 156 -6.726 -20.659 -9.071 1.00 0.00 H new ATOM 0 HA ASP A 156 -4.304 -20.910 -10.714 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -5.326 -23.142 -10.525 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -6.835 -22.496 -11.137 1.00 0.00 H new ATOM 93 N ILE A 157 -7.248 -19.583 -11.013 1.00 0.00 N ATOM 94 CA ILE A 157 -7.993 -18.522 -11.620 1.00 0.00 C ATOM 95 C ILE A 157 -7.532 -17.186 -11.021 1.00 0.00 C ATOM 96 O ILE A 157 -7.082 -17.129 -9.862 1.00 0.00 O ATOM 97 CB ILE A 157 -9.535 -18.741 -11.420 1.00 0.00 C ATOM 98 CG1 ILE A 157 -9.962 -20.068 -12.074 1.00 0.00 C ATOM 99 CG2 ILE A 157 -10.347 -17.585 -12.002 1.00 0.00 C ATOM 100 CD1 ILE A 157 -11.419 -20.434 -11.859 1.00 0.00 C ATOM 0 H ILE A 157 -7.731 -20.046 -10.243 1.00 0.00 H new ATOM 0 HA ILE A 157 -7.809 -18.510 -12.694 1.00 0.00 H new ATOM 0 HB ILE A 157 -9.734 -18.780 -10.349 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -9.769 -20.009 -13.145 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -9.337 -20.870 -11.681 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -11.409 -17.771 -11.845 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -10.064 -16.656 -11.507 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -10.147 -17.502 -13.070 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -11.633 -21.382 -12.353 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -11.617 -20.529 -10.791 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -12.056 -19.655 -12.278 1.00 0.00 H new ATOM 112 N ASP A 158 -7.560 -16.160 -11.828 1.00 0.00 N ATOM 113 CA ASP A 158 -7.209 -14.818 -11.418 1.00 0.00 C ATOM 114 C ASP A 158 -8.486 -14.131 -11.024 1.00 0.00 C ATOM 115 O ASP A 158 -9.379 -13.950 -11.865 1.00 0.00 O ATOM 116 CB ASP A 158 -6.574 -14.034 -12.579 1.00 0.00 C ATOM 117 CG ASP A 158 -5.329 -14.674 -13.158 1.00 0.00 C ATOM 118 OD1 ASP A 158 -5.450 -15.603 -14.011 1.00 0.00 O ATOM 119 OD2 ASP A 158 -4.214 -14.254 -12.808 1.00 0.00 O ATOM 0 H ASP A 158 -7.832 -16.230 -12.809 1.00 0.00 H new ATOM 0 HA ASP A 158 -6.491 -14.859 -10.599 1.00 0.00 H new ATOM 0 HB2 ASP A 158 -7.313 -13.921 -13.373 1.00 0.00 H new ATOM 0 HB3 ASP A 158 -6.325 -13.032 -12.231 1.00 0.00 H new ATOM 124 N LEU A 159 -8.598 -13.786 -9.780 1.00 0.00 N ATOM 125 CA LEU A 159 -9.796 -13.164 -9.274 1.00 0.00 C ATOM 126 C LEU A 159 -9.763 -11.673 -9.498 1.00 0.00 C ATOM 127 O LEU A 159 -8.834 -10.987 -9.062 1.00 0.00 O ATOM 128 CB LEU A 159 -10.031 -13.460 -7.772 1.00 0.00 C ATOM 129 CG LEU A 159 -10.425 -14.902 -7.360 1.00 0.00 C ATOM 130 CD1 LEU A 159 -9.319 -15.913 -7.619 1.00 0.00 C ATOM 131 CD2 LEU A 159 -10.839 -14.936 -5.904 1.00 0.00 C ATOM 0 H LEU A 159 -7.867 -13.924 -9.082 1.00 0.00 H new ATOM 0 HA LEU A 159 -10.627 -13.598 -9.831 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -9.119 -13.198 -7.235 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -10.813 -12.788 -7.419 1.00 0.00 H new ATOM 0 HG LEU A 159 -11.269 -15.191 -7.986 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -9.652 -16.904 -7.311 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -9.079 -15.925 -8.682 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -8.432 -15.636 -7.050 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -11.113 -15.954 -5.627 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -10.009 -14.602 -5.282 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -11.694 -14.276 -5.753 1.00 0.00 H new ATOM 143 N PHE A 160 -10.748 -11.195 -10.205 1.00 0.00 N ATOM 144 CA PHE A 160 -10.927 -9.785 -10.439 1.00 0.00 C ATOM 145 C PHE A 160 -12.290 -9.400 -9.920 1.00 0.00 C ATOM 146 O PHE A 160 -13.309 -9.801 -10.489 1.00 0.00 O ATOM 147 CB PHE A 160 -10.851 -9.451 -11.937 1.00 0.00 C ATOM 148 CG PHE A 160 -9.539 -9.766 -12.589 1.00 0.00 C ATOM 149 CD1 PHE A 160 -8.459 -8.918 -12.437 1.00 0.00 C ATOM 150 CD2 PHE A 160 -9.393 -10.901 -13.368 1.00 0.00 C ATOM 151 CE1 PHE A 160 -7.254 -9.197 -13.043 1.00 0.00 C ATOM 152 CE2 PHE A 160 -8.189 -11.185 -13.978 1.00 0.00 C ATOM 153 CZ PHE A 160 -7.118 -10.332 -13.814 1.00 0.00 C ATOM 0 H PHE A 160 -11.460 -11.780 -10.642 1.00 0.00 H new ATOM 0 HA PHE A 160 -10.135 -9.235 -9.931 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -11.638 -9.997 -12.456 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -11.060 -8.389 -12.068 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -8.561 -8.026 -11.836 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -10.230 -11.571 -13.499 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -6.416 -8.527 -12.914 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -8.085 -12.074 -14.583 1.00 0.00 H new ATOM 0 HZ PHE A 160 -6.174 -10.553 -14.289 1.00 0.00 H new ATOM 163 N GLY A 161 -12.331 -8.676 -8.844 1.00 0.00 N ATOM 164 CA GLY A 161 -13.608 -8.301 -8.298 1.00 0.00 C ATOM 165 C GLY A 161 -13.546 -7.019 -7.536 1.00 0.00 C ATOM 166 O GLY A 161 -14.168 -6.887 -6.474 1.00 0.00 O ATOM 0 H GLY A 161 -11.517 -8.337 -8.332 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -14.332 -8.205 -9.107 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -13.967 -9.094 -7.642 1.00 0.00 H new ATOM 170 N SER A 162 -12.821 -6.069 -8.063 1.00 0.00 N ATOM 171 CA SER A 162 -12.621 -4.800 -7.400 1.00 0.00 C ATOM 172 C SER A 162 -13.867 -3.910 -7.441 1.00 0.00 C ATOM 173 O SER A 162 -14.092 -3.131 -6.542 1.00 0.00 O ATOM 174 CB SER A 162 -11.427 -4.092 -7.993 1.00 0.00 C ATOM 175 OG SER A 162 -10.262 -4.904 -7.893 1.00 0.00 O ATOM 0 H SER A 162 -12.350 -6.149 -8.964 1.00 0.00 H new ATOM 0 HA SER A 162 -12.428 -5.006 -6.347 1.00 0.00 H new ATOM 0 HB2 SER A 162 -11.622 -3.853 -9.039 1.00 0.00 H new ATOM 0 HB3 SER A 162 -11.264 -3.147 -7.475 1.00 0.00 H new ATOM 0 HG SER A 162 -10.279 -5.397 -7.046 1.00 0.00 H new ATOM 181 N ASP A 163 -14.676 -4.034 -8.471 1.00 0.00 N ATOM 182 CA ASP A 163 -15.904 -3.235 -8.536 1.00 0.00 C ATOM 183 C ASP A 163 -17.083 -4.056 -8.058 1.00 0.00 C ATOM 184 O ASP A 163 -18.096 -3.530 -7.614 1.00 0.00 O ATOM 185 CB ASP A 163 -16.166 -2.693 -9.937 1.00 0.00 C ATOM 186 CG ASP A 163 -17.397 -1.806 -9.979 1.00 0.00 C ATOM 187 OD1 ASP A 163 -17.332 -0.656 -9.486 1.00 0.00 O ATOM 188 OD2 ASP A 163 -18.451 -2.246 -10.507 1.00 0.00 O ATOM 0 H ASP A 163 -14.522 -4.660 -9.261 1.00 0.00 H new ATOM 0 HA ASP A 163 -15.771 -2.375 -7.879 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -15.298 -2.126 -10.275 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -16.294 -3.525 -10.630 1.00 0.00 H new ATOM 193 N ASN A 164 -16.924 -5.360 -8.117 1.00 0.00 N ATOM 194 CA ASN A 164 -17.958 -6.285 -7.659 1.00 0.00 C ATOM 195 C ASN A 164 -18.087 -6.221 -6.126 1.00 0.00 C ATOM 196 O ASN A 164 -19.127 -6.556 -5.546 1.00 0.00 O ATOM 197 CB ASN A 164 -17.651 -7.707 -8.158 1.00 0.00 C ATOM 198 CG ASN A 164 -18.727 -8.719 -7.805 1.00 0.00 C ATOM 199 OD1 ASN A 164 -19.723 -8.849 -8.515 1.00 0.00 O ATOM 200 ND2 ASN A 164 -18.509 -9.476 -6.768 1.00 0.00 N ATOM 0 H ASN A 164 -16.085 -5.814 -8.479 1.00 0.00 H new ATOM 0 HA ASN A 164 -18.921 -5.993 -8.077 1.00 0.00 H new ATOM 0 HB2 ASN A 164 -17.526 -7.684 -9.241 1.00 0.00 H new ATOM 0 HB3 ASN A 164 -16.702 -8.035 -7.734 1.00 0.00 H new ATOM 0 HD21 ASN A 164 -19.176 -10.207 -6.521 1.00 0.00 H new ATOM 0 HD22 ASN A 164 -17.671 -9.338 -6.203 1.00 0.00 H new ATOM 207 N GLU A 165 -17.041 -5.740 -5.490 1.00 0.00 N ATOM 208 CA GLU A 165 -17.018 -5.530 -4.068 1.00 0.00 C ATOM 209 C GLU A 165 -16.549 -4.106 -3.788 1.00 0.00 C ATOM 210 O GLU A 165 -15.459 -3.728 -4.189 1.00 0.00 O ATOM 211 CB GLU A 165 -16.103 -6.559 -3.380 1.00 0.00 C ATOM 212 CG GLU A 165 -15.930 -6.353 -1.878 1.00 0.00 C ATOM 213 CD GLU A 165 -17.216 -6.492 -1.090 1.00 0.00 C ATOM 214 OE1 GLU A 165 -18.195 -5.774 -1.374 1.00 0.00 O ATOM 215 OE2 GLU A 165 -17.272 -7.332 -0.169 1.00 0.00 O ATOM 0 H GLU A 165 -16.172 -5.482 -5.958 1.00 0.00 H new ATOM 0 HA GLU A 165 -18.021 -5.665 -3.662 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -16.507 -7.557 -3.552 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -15.122 -6.526 -3.853 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -15.205 -7.075 -1.503 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -15.512 -5.362 -1.702 1.00 0.00 H new ATOM 222 N GLU A 166 -17.361 -3.353 -3.055 1.00 0.00 N ATOM 223 CA GLU A 166 -17.118 -1.920 -2.749 1.00 0.00 C ATOM 224 C GLU A 166 -15.840 -1.707 -1.933 1.00 0.00 C ATOM 225 O GLU A 166 -15.354 -0.578 -1.787 1.00 0.00 O ATOM 226 CB GLU A 166 -18.305 -1.353 -1.957 1.00 0.00 C ATOM 227 CG GLU A 166 -18.492 -2.015 -0.595 1.00 0.00 C ATOM 228 CD GLU A 166 -19.671 -1.491 0.167 1.00 0.00 C ATOM 229 OE1 GLU A 166 -19.578 -0.388 0.754 1.00 0.00 O ATOM 230 OE2 GLU A 166 -20.716 -2.171 0.199 1.00 0.00 O ATOM 0 H GLU A 166 -18.223 -3.712 -2.644 1.00 0.00 H new ATOM 0 HA GLU A 166 -17.003 -1.404 -3.702 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -18.161 -0.282 -1.816 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -19.216 -1.477 -2.542 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -18.608 -3.090 -0.735 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -17.590 -1.867 -0.001 1.00 0.00 H new ATOM 237 N GLU A 167 -15.343 -2.776 -1.375 1.00 0.00 N ATOM 238 CA GLU A 167 -14.169 -2.748 -0.542 1.00 0.00 C ATOM 239 C GLU A 167 -12.896 -2.708 -1.396 1.00 0.00 C ATOM 240 O GLU A 167 -11.877 -2.150 -0.965 1.00 0.00 O ATOM 241 CB GLU A 167 -14.154 -4.014 0.335 1.00 0.00 C ATOM 242 CG GLU A 167 -13.055 -4.067 1.388 1.00 0.00 C ATOM 243 CD GLU A 167 -13.277 -3.097 2.512 1.00 0.00 C ATOM 244 OE1 GLU A 167 -13.024 -1.897 2.349 1.00 0.00 O ATOM 245 OE2 GLU A 167 -13.722 -3.529 3.600 1.00 0.00 O ATOM 0 H GLU A 167 -15.747 -3.706 -1.487 1.00 0.00 H new ATOM 0 HA GLU A 167 -14.196 -1.853 0.079 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -15.118 -4.100 0.836 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -14.054 -4.884 -0.314 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -12.995 -5.077 1.793 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -12.096 -3.855 0.916 1.00 0.00 H new ATOM 252 N ASP A 168 -12.979 -3.265 -2.635 1.00 0.00 N ATOM 253 CA ASP A 168 -11.780 -3.500 -3.493 1.00 0.00 C ATOM 254 C ASP A 168 -10.856 -4.450 -2.752 1.00 0.00 C ATOM 255 O ASP A 168 -9.647 -4.413 -2.917 1.00 0.00 O ATOM 256 CB ASP A 168 -10.998 -2.200 -3.827 1.00 0.00 C ATOM 257 CG ASP A 168 -11.654 -1.271 -4.822 1.00 0.00 C ATOM 258 OD1 ASP A 168 -12.516 -0.455 -4.439 1.00 0.00 O ATOM 259 OD2 ASP A 168 -11.249 -1.281 -6.003 1.00 0.00 O ATOM 0 H ASP A 168 -13.858 -3.559 -3.062 1.00 0.00 H new ATOM 0 HA ASP A 168 -12.125 -3.912 -4.441 1.00 0.00 H new ATOM 0 HB2 ASP A 168 -10.833 -1.650 -2.900 1.00 0.00 H new ATOM 0 HB3 ASP A 168 -10.017 -2.478 -4.212 1.00 0.00 H new ATOM 264 N LYS A 169 -11.477 -5.356 -1.995 1.00 0.00 N ATOM 265 CA LYS A 169 -10.815 -6.261 -1.065 1.00 0.00 C ATOM 266 C LYS A 169 -9.666 -7.036 -1.701 1.00 0.00 C ATOM 267 O LYS A 169 -8.531 -6.932 -1.235 1.00 0.00 O ATOM 268 CB LYS A 169 -11.836 -7.229 -0.437 1.00 0.00 C ATOM 269 CG LYS A 169 -11.267 -8.120 0.667 1.00 0.00 C ATOM 270 CD LYS A 169 -10.758 -7.289 1.842 1.00 0.00 C ATOM 271 CE LYS A 169 -10.175 -8.154 2.945 1.00 0.00 C ATOM 272 NZ LYS A 169 -11.173 -9.070 3.533 1.00 0.00 N ATOM 0 H LYS A 169 -12.489 -5.481 -2.016 1.00 0.00 H new ATOM 0 HA LYS A 169 -10.377 -5.640 -0.284 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -12.664 -6.649 -0.028 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -12.248 -7.863 -1.222 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -12.036 -8.810 1.013 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -10.453 -8.724 0.266 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -9.998 -6.591 1.490 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -11.576 -6.692 2.245 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -9.344 -8.735 2.545 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -9.769 -7.514 3.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -10.777 -9.514 4.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -12.028 -8.535 3.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -11.418 -9.807 2.841 1.00 0.00 H new ATOM 286 N GLU A 170 -9.955 -7.792 -2.760 1.00 0.00 N ATOM 287 CA GLU A 170 -8.941 -8.585 -3.429 1.00 0.00 C ATOM 288 C GLU A 170 -7.740 -7.767 -3.897 1.00 0.00 C ATOM 289 O GLU A 170 -6.583 -8.186 -3.708 1.00 0.00 O ATOM 290 CB GLU A 170 -9.529 -9.528 -4.517 1.00 0.00 C ATOM 291 CG GLU A 170 -10.668 -8.978 -5.411 1.00 0.00 C ATOM 292 CD GLU A 170 -10.348 -7.739 -6.217 1.00 0.00 C ATOM 293 OE1 GLU A 170 -10.511 -6.618 -5.682 1.00 0.00 O ATOM 294 OE2 GLU A 170 -9.995 -7.855 -7.407 1.00 0.00 O ATOM 0 H GLU A 170 -10.887 -7.868 -3.169 1.00 0.00 H new ATOM 0 HA GLU A 170 -8.535 -9.251 -2.667 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -8.712 -9.838 -5.169 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -9.898 -10.425 -4.019 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -10.972 -9.765 -6.100 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -11.527 -8.761 -4.776 1.00 0.00 H new ATOM 301 N ALA A 171 -8.008 -6.603 -4.438 1.00 0.00 N ATOM 302 CA ALA A 171 -6.972 -5.706 -4.865 1.00 0.00 C ATOM 303 C ALA A 171 -6.212 -5.155 -3.664 1.00 0.00 C ATOM 304 O ALA A 171 -5.002 -5.300 -3.594 1.00 0.00 O ATOM 305 CB ALA A 171 -7.549 -4.576 -5.699 1.00 0.00 C ATOM 0 H ALA A 171 -8.954 -6.254 -4.593 1.00 0.00 H new ATOM 0 HA ALA A 171 -6.272 -6.264 -5.487 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -6.746 -3.908 -6.012 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -8.042 -4.989 -6.579 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -8.274 -4.019 -5.105 1.00 0.00 H new ATOM 311 N ALA A 172 -6.945 -4.578 -2.702 1.00 0.00 N ATOM 312 CA ALA A 172 -6.375 -3.944 -1.495 1.00 0.00 C ATOM 313 C ALA A 172 -5.375 -4.852 -0.792 1.00 0.00 C ATOM 314 O ALA A 172 -4.289 -4.402 -0.385 1.00 0.00 O ATOM 315 CB ALA A 172 -7.483 -3.547 -0.527 1.00 0.00 C ATOM 0 H ALA A 172 -7.964 -4.535 -2.736 1.00 0.00 H new ATOM 0 HA ALA A 172 -5.842 -3.051 -1.822 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -7.045 -3.082 0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -8.156 -2.841 -1.014 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -8.042 -4.434 -0.230 1.00 0.00 H new ATOM 321 N GLN A 173 -5.737 -6.127 -0.689 1.00 0.00 N ATOM 322 CA GLN A 173 -4.892 -7.147 -0.086 1.00 0.00 C ATOM 323 C GLN A 173 -3.540 -7.213 -0.782 1.00 0.00 C ATOM 324 O GLN A 173 -2.497 -6.909 -0.175 1.00 0.00 O ATOM 325 CB GLN A 173 -5.575 -8.515 -0.160 1.00 0.00 C ATOM 326 CG GLN A 173 -6.817 -8.638 0.708 1.00 0.00 C ATOM 327 CD GLN A 173 -7.531 -9.980 0.590 1.00 0.00 C ATOM 328 OE1 GLN A 173 -8.167 -10.437 1.542 1.00 0.00 O ATOM 329 NE2 GLN A 173 -7.430 -10.629 -0.553 1.00 0.00 N ATOM 0 H GLN A 173 -6.632 -6.482 -1.025 1.00 0.00 H new ATOM 0 HA GLN A 173 -4.735 -6.879 0.959 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -5.848 -8.717 -1.196 1.00 0.00 H new ATOM 0 HB3 GLN A 173 -4.860 -9.282 0.137 1.00 0.00 H new ATOM 0 HG2 GLN A 173 -6.536 -8.479 1.749 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -7.514 -7.844 0.441 1.00 0.00 H new ATOM 0 HE21 GLN A 173 -6.897 -10.225 -1.323 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -7.885 -11.535 -0.667 1.00 0.00 H new ATOM 338 N LEU A 174 -3.567 -7.544 -2.067 1.00 0.00 N ATOM 339 CA LEU A 174 -2.352 -7.696 -2.838 1.00 0.00 C ATOM 340 C LEU A 174 -1.596 -6.377 -3.007 1.00 0.00 C ATOM 341 O LEU A 174 -0.389 -6.390 -3.163 1.00 0.00 O ATOM 342 CB LEU A 174 -2.630 -8.410 -4.185 1.00 0.00 C ATOM 343 CG LEU A 174 -3.590 -7.725 -5.177 1.00 0.00 C ATOM 344 CD1 LEU A 174 -2.896 -6.660 -6.016 1.00 0.00 C ATOM 345 CD2 LEU A 174 -4.278 -8.748 -6.047 1.00 0.00 C ATOM 0 H LEU A 174 -4.424 -7.712 -2.594 1.00 0.00 H new ATOM 0 HA LEU A 174 -1.683 -8.341 -2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -1.675 -8.556 -4.690 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -3.028 -9.400 -3.963 1.00 0.00 H new ATOM 0 HG LEU A 174 -4.348 -7.209 -4.588 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -3.616 -6.208 -6.698 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -2.485 -5.892 -5.361 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -2.090 -7.117 -6.590 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -4.951 -8.243 -6.740 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -3.531 -9.308 -6.610 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -4.849 -9.433 -5.421 1.00 0.00 H new ATOM 357 N ARG A 175 -2.317 -5.243 -2.958 1.00 0.00 N ATOM 358 CA ARG A 175 -1.693 -3.914 -3.061 1.00 0.00 C ATOM 359 C ARG A 175 -0.674 -3.735 -1.969 1.00 0.00 C ATOM 360 O ARG A 175 0.486 -3.466 -2.249 1.00 0.00 O ATOM 361 CB ARG A 175 -2.722 -2.777 -2.995 1.00 0.00 C ATOM 362 CG ARG A 175 -3.670 -2.707 -4.176 1.00 0.00 C ATOM 363 CD ARG A 175 -2.958 -2.368 -5.473 1.00 0.00 C ATOM 364 NE ARG A 175 -3.884 -2.369 -6.610 1.00 0.00 N ATOM 365 CZ ARG A 175 -4.720 -1.367 -6.935 1.00 0.00 C ATOM 366 NH1 ARG A 175 -4.794 -0.273 -6.176 1.00 0.00 N ATOM 367 NH2 ARG A 175 -5.483 -1.468 -8.017 1.00 0.00 N ATOM 0 H ARG A 175 -3.331 -5.221 -2.848 1.00 0.00 H new ATOM 0 HA ARG A 175 -1.208 -3.864 -4.036 1.00 0.00 H new ATOM 0 HB2 ARG A 175 -3.308 -2.889 -2.083 1.00 0.00 H new ATOM 0 HB3 ARG A 175 -2.190 -1.829 -2.918 1.00 0.00 H new ATOM 0 HG2 ARG A 175 -4.181 -3.664 -4.285 1.00 0.00 H new ATOM 0 HG3 ARG A 175 -4.436 -1.957 -3.979 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -2.488 -1.388 -5.386 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -2.161 -3.090 -5.651 1.00 0.00 H new ATOM 0 HE ARG A 175 -3.895 -3.198 -7.204 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -4.214 -0.191 -5.341 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -5.431 0.482 -6.430 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -5.434 -2.304 -8.599 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -6.118 -0.710 -8.266 1.00 0.00 H new ATOM 381 N GLU A 176 -1.100 -3.929 -0.735 1.00 0.00 N ATOM 382 CA GLU A 176 -0.197 -3.836 0.393 1.00 0.00 C ATOM 383 C GLU A 176 0.914 -4.846 0.291 1.00 0.00 C ATOM 384 O GLU A 176 2.081 -4.494 0.432 1.00 0.00 O ATOM 385 CB GLU A 176 -0.935 -3.988 1.708 1.00 0.00 C ATOM 386 CG GLU A 176 -1.490 -2.694 2.241 1.00 0.00 C ATOM 387 CD GLU A 176 -0.382 -1.720 2.572 1.00 0.00 C ATOM 388 OE1 GLU A 176 0.426 -2.008 3.498 1.00 0.00 O ATOM 389 OE2 GLU A 176 -0.301 -0.655 1.954 1.00 0.00 O ATOM 0 H GLU A 176 -2.065 -4.152 -0.490 1.00 0.00 H new ATOM 0 HA GLU A 176 0.247 -2.841 0.368 1.00 0.00 H new ATOM 0 HB2 GLU A 176 -1.752 -4.697 1.577 1.00 0.00 H new ATOM 0 HB3 GLU A 176 -0.258 -4.415 2.448 1.00 0.00 H new ATOM 0 HG2 GLU A 176 -2.159 -2.251 1.503 1.00 0.00 H new ATOM 0 HG3 GLU A 176 -2.084 -2.890 3.133 1.00 0.00 H new ATOM 396 N GLU A 177 0.549 -6.085 -0.004 1.00 0.00 N ATOM 397 CA GLU A 177 1.510 -7.170 -0.121 1.00 0.00 C ATOM 398 C GLU A 177 2.630 -6.835 -1.110 1.00 0.00 C ATOM 399 O GLU A 177 3.810 -6.951 -0.771 1.00 0.00 O ATOM 400 CB GLU A 177 0.810 -8.478 -0.496 1.00 0.00 C ATOM 401 CG GLU A 177 -0.166 -8.960 0.567 1.00 0.00 C ATOM 402 CD GLU A 177 -0.886 -10.228 0.190 1.00 0.00 C ATOM 403 OE1 GLU A 177 -0.253 -11.310 0.196 1.00 0.00 O ATOM 404 OE2 GLU A 177 -2.092 -10.188 -0.098 1.00 0.00 O ATOM 0 H GLU A 177 -0.418 -6.365 -0.168 1.00 0.00 H new ATOM 0 HA GLU A 177 1.976 -7.303 0.855 1.00 0.00 H new ATOM 0 HB2 GLU A 177 0.275 -8.340 -1.436 1.00 0.00 H new ATOM 0 HB3 GLU A 177 1.561 -9.249 -0.667 1.00 0.00 H new ATOM 0 HG2 GLU A 177 0.375 -9.122 1.499 1.00 0.00 H new ATOM 0 HG3 GLU A 177 -0.900 -8.177 0.757 1.00 0.00 H new ATOM 411 N ARG A 178 2.269 -6.360 -2.296 1.00 0.00 N ATOM 412 CA ARG A 178 3.262 -6.037 -3.294 1.00 0.00 C ATOM 413 C ARG A 178 4.013 -4.744 -2.970 1.00 0.00 C ATOM 414 O ARG A 178 5.210 -4.684 -3.144 1.00 0.00 O ATOM 415 CB ARG A 178 2.666 -6.009 -4.708 1.00 0.00 C ATOM 416 CG ARG A 178 1.625 -4.929 -4.951 1.00 0.00 C ATOM 417 CD ARG A 178 0.961 -5.110 -6.294 1.00 0.00 C ATOM 418 NE ARG A 178 1.917 -5.027 -7.400 1.00 0.00 N ATOM 419 CZ ARG A 178 1.848 -5.745 -8.533 1.00 0.00 C ATOM 420 NH1 ARG A 178 0.806 -6.542 -8.773 1.00 0.00 N ATOM 421 NH2 ARG A 178 2.811 -5.649 -9.433 1.00 0.00 N ATOM 0 H ARG A 178 1.304 -6.194 -2.581 1.00 0.00 H new ATOM 0 HA ARG A 178 3.997 -6.841 -3.271 1.00 0.00 H new ATOM 0 HB2 ARG A 178 3.477 -5.877 -5.424 1.00 0.00 H new ATOM 0 HB3 ARG A 178 2.214 -6.979 -4.914 1.00 0.00 H new ATOM 0 HG2 ARG A 178 0.873 -4.960 -4.163 1.00 0.00 H new ATOM 0 HG3 ARG A 178 2.096 -3.947 -4.904 1.00 0.00 H new ATOM 0 HD2 ARG A 178 0.459 -6.077 -6.322 1.00 0.00 H new ATOM 0 HD3 ARG A 178 0.192 -4.348 -6.423 1.00 0.00 H new ATOM 0 HE ARG A 178 2.695 -4.374 -7.303 1.00 0.00 H new ATOM 0 HH11 ARG A 178 0.050 -6.611 -8.092 1.00 0.00 H new ATOM 0 HH12 ARG A 178 0.765 -7.082 -9.637 1.00 0.00 H new ATOM 0 HH21 ARG A 178 3.605 -5.030 -9.267 1.00 0.00 H new ATOM 0 HH22 ARG A 178 2.760 -6.193 -10.294 1.00 0.00 H new ATOM 435 N LEU A 179 3.320 -3.730 -2.457 1.00 0.00 N ATOM 436 CA LEU A 179 3.969 -2.448 -2.153 1.00 0.00 C ATOM 437 C LEU A 179 5.010 -2.580 -1.051 1.00 0.00 C ATOM 438 O LEU A 179 6.075 -1.964 -1.121 1.00 0.00 O ATOM 439 CB LEU A 179 2.952 -1.354 -1.803 1.00 0.00 C ATOM 440 CG LEU A 179 2.026 -0.897 -2.939 1.00 0.00 C ATOM 441 CD1 LEU A 179 1.029 0.130 -2.427 1.00 0.00 C ATOM 442 CD2 LEU A 179 2.833 -0.318 -4.097 1.00 0.00 C ATOM 0 H LEU A 179 2.323 -3.765 -2.244 1.00 0.00 H new ATOM 0 HA LEU A 179 4.484 -2.146 -3.065 1.00 0.00 H new ATOM 0 HB2 LEU A 179 2.333 -1.713 -0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 179 3.497 -0.485 -1.436 1.00 0.00 H new ATOM 0 HG LEU A 179 1.479 -1.767 -3.304 1.00 0.00 H new ATOM 0 HD11 LEU A 179 0.379 0.445 -3.244 1.00 0.00 H new ATOM 0 HD12 LEU A 179 0.426 -0.312 -1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 179 1.566 0.995 -2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 179 2.156 -0.001 -4.890 1.00 0.00 H new ATOM 0 HD22 LEU A 179 3.408 0.539 -3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 179 3.513 -1.078 -4.483 1.00 0.00 H new ATOM 454 N ARG A 180 4.717 -3.395 -0.050 1.00 0.00 N ATOM 455 CA ARG A 180 5.644 -3.610 1.058 1.00 0.00 C ATOM 456 C ARG A 180 6.935 -4.240 0.565 1.00 0.00 C ATOM 457 O ARG A 180 8.022 -3.741 0.863 1.00 0.00 O ATOM 458 CB ARG A 180 5.019 -4.470 2.153 1.00 0.00 C ATOM 459 CG ARG A 180 3.800 -3.843 2.792 1.00 0.00 C ATOM 460 CD ARG A 180 3.129 -4.789 3.759 1.00 0.00 C ATOM 461 NE ARG A 180 1.829 -4.277 4.200 1.00 0.00 N ATOM 462 CZ ARG A 180 0.943 -4.956 4.928 1.00 0.00 C ATOM 463 NH1 ARG A 180 1.226 -6.178 5.370 1.00 0.00 N ATOM 464 NH2 ARG A 180 -0.220 -4.404 5.210 1.00 0.00 N ATOM 0 H ARG A 180 3.845 -3.920 0.021 1.00 0.00 H new ATOM 0 HA ARG A 180 5.872 -2.634 1.487 1.00 0.00 H new ATOM 0 HB2 ARG A 180 4.742 -5.436 1.731 1.00 0.00 H new ATOM 0 HB3 ARG A 180 5.765 -4.661 2.924 1.00 0.00 H new ATOM 0 HG2 ARG A 180 4.091 -2.933 3.316 1.00 0.00 H new ATOM 0 HG3 ARG A 180 3.091 -3.552 2.017 1.00 0.00 H new ATOM 0 HD2 ARG A 180 2.996 -5.761 3.285 1.00 0.00 H new ATOM 0 HD3 ARG A 180 3.773 -4.942 4.625 1.00 0.00 H new ATOM 0 HE ARG A 180 1.583 -3.325 3.928 1.00 0.00 H new ATOM 0 HH11 ARG A 180 2.127 -6.603 5.152 1.00 0.00 H new ATOM 0 HH12 ARG A 180 0.542 -6.690 5.927 1.00 0.00 H new ATOM 0 HH21 ARG A 180 -0.435 -3.466 4.872 1.00 0.00 H new ATOM 0 HH22 ARG A 180 -0.905 -4.915 5.766 1.00 0.00 H new ATOM 478 N GLN A 181 6.808 -5.306 -0.225 1.00 0.00 N ATOM 479 CA GLN A 181 7.957 -6.011 -0.759 1.00 0.00 C ATOM 480 C GLN A 181 8.689 -5.174 -1.800 1.00 0.00 C ATOM 481 O GLN A 181 9.914 -5.108 -1.797 1.00 0.00 O ATOM 482 CB GLN A 181 7.539 -7.413 -1.271 1.00 0.00 C ATOM 483 CG GLN A 181 6.504 -7.460 -2.406 1.00 0.00 C ATOM 484 CD GLN A 181 7.084 -7.591 -3.812 1.00 0.00 C ATOM 485 OE1 GLN A 181 8.196 -7.163 -4.101 1.00 0.00 O ATOM 486 NE2 GLN A 181 6.329 -8.183 -4.693 1.00 0.00 N ATOM 0 H GLN A 181 5.909 -5.697 -0.507 1.00 0.00 H new ATOM 0 HA GLN A 181 8.678 -6.174 0.042 1.00 0.00 H new ATOM 0 HB2 GLN A 181 8.436 -7.932 -1.609 1.00 0.00 H new ATOM 0 HB3 GLN A 181 7.143 -7.978 -0.427 1.00 0.00 H new ATOM 0 HG2 GLN A 181 5.832 -8.300 -2.228 1.00 0.00 H new ATOM 0 HG3 GLN A 181 5.900 -6.554 -2.363 1.00 0.00 H new ATOM 0 HE21 GLN A 181 5.408 -8.529 -4.425 1.00 0.00 H new ATOM 0 HE22 GLN A 181 6.659 -8.300 -5.651 1.00 0.00 H new ATOM 495 N TYR A 182 7.927 -4.495 -2.638 1.00 0.00 N ATOM 496 CA TYR A 182 8.472 -3.621 -3.668 1.00 0.00 C ATOM 497 C TYR A 182 9.338 -2.516 -3.062 1.00 0.00 C ATOM 498 O TYR A 182 10.475 -2.287 -3.511 1.00 0.00 O ATOM 499 CB TYR A 182 7.335 -3.038 -4.540 1.00 0.00 C ATOM 500 CG TYR A 182 7.745 -1.905 -5.448 1.00 0.00 C ATOM 501 CD1 TYR A 182 8.534 -2.121 -6.569 1.00 0.00 C ATOM 502 CD2 TYR A 182 7.350 -0.608 -5.165 1.00 0.00 C ATOM 503 CE1 TYR A 182 8.925 -1.071 -7.371 1.00 0.00 C ATOM 504 CE2 TYR A 182 7.724 0.438 -5.965 1.00 0.00 C ATOM 505 CZ TYR A 182 8.513 0.206 -7.063 1.00 0.00 C ATOM 506 OH TYR A 182 8.921 1.269 -7.841 1.00 0.00 O ATOM 0 H TYR A 182 6.908 -4.533 -2.626 1.00 0.00 H new ATOM 0 HA TYR A 182 9.119 -4.217 -4.312 1.00 0.00 H new ATOM 0 HB2 TYR A 182 6.918 -3.839 -5.150 1.00 0.00 H new ATOM 0 HB3 TYR A 182 6.538 -2.688 -3.884 1.00 0.00 H new ATOM 0 HD1 TYR A 182 8.846 -3.125 -6.816 1.00 0.00 H new ATOM 0 HD2 TYR A 182 6.736 -0.418 -4.297 1.00 0.00 H new ATOM 0 HE1 TYR A 182 9.550 -1.248 -8.234 1.00 0.00 H new ATOM 0 HE2 TYR A 182 7.399 1.442 -5.733 1.00 0.00 H new ATOM 0 HH TYR A 182 8.381 2.058 -7.626 1.00 0.00 H new ATOM 516 N ALA A 183 8.820 -1.855 -2.037 1.00 0.00 N ATOM 517 CA ALA A 183 9.549 -0.790 -1.369 1.00 0.00 C ATOM 518 C ALA A 183 10.743 -1.351 -0.613 1.00 0.00 C ATOM 519 O ALA A 183 11.813 -0.749 -0.600 1.00 0.00 O ATOM 520 CB ALA A 183 8.636 -0.018 -0.426 1.00 0.00 C ATOM 0 H ALA A 183 7.895 -2.039 -1.650 1.00 0.00 H new ATOM 0 HA ALA A 183 9.915 -0.101 -2.130 1.00 0.00 H new ATOM 0 HB1 ALA A 183 9.204 0.774 0.063 1.00 0.00 H new ATOM 0 HB2 ALA A 183 7.815 0.421 -0.993 1.00 0.00 H new ATOM 0 HB3 ALA A 183 8.235 -0.695 0.328 1.00 0.00 H new ATOM 526 N GLU A 184 10.554 -2.519 -0.013 1.00 0.00 N ATOM 527 CA GLU A 184 11.589 -3.198 0.760 1.00 0.00 C ATOM 528 C GLU A 184 12.806 -3.519 -0.098 1.00 0.00 C ATOM 529 O GLU A 184 13.945 -3.328 0.326 1.00 0.00 O ATOM 530 CB GLU A 184 11.020 -4.482 1.354 1.00 0.00 C ATOM 531 CG GLU A 184 12.001 -5.297 2.160 1.00 0.00 C ATOM 532 CD GLU A 184 11.377 -6.534 2.711 1.00 0.00 C ATOM 533 OE1 GLU A 184 11.316 -7.557 2.005 1.00 0.00 O ATOM 534 OE2 GLU A 184 10.932 -6.513 3.866 1.00 0.00 O ATOM 0 H GLU A 184 9.670 -3.027 -0.049 1.00 0.00 H new ATOM 0 HA GLU A 184 11.911 -2.530 1.559 1.00 0.00 H new ATOM 0 HB2 GLU A 184 10.173 -4.227 1.990 1.00 0.00 H new ATOM 0 HB3 GLU A 184 10.635 -5.101 0.544 1.00 0.00 H new ATOM 0 HG2 GLU A 184 12.850 -5.568 1.532 1.00 0.00 H new ATOM 0 HG3 GLU A 184 12.390 -4.691 2.978 1.00 0.00 H new ATOM 541 N LYS A 185 12.555 -4.003 -1.293 1.00 0.00 N ATOM 542 CA LYS A 185 13.610 -4.390 -2.205 1.00 0.00 C ATOM 543 C LYS A 185 14.415 -3.204 -2.695 1.00 0.00 C ATOM 544 O LYS A 185 15.629 -3.315 -2.869 1.00 0.00 O ATOM 545 CB LYS A 185 13.047 -5.215 -3.346 1.00 0.00 C ATOM 546 CG LYS A 185 12.485 -6.531 -2.863 1.00 0.00 C ATOM 547 CD LYS A 185 11.679 -7.235 -3.922 1.00 0.00 C ATOM 548 CE LYS A 185 11.091 -8.500 -3.352 1.00 0.00 C ATOM 549 NZ LYS A 185 10.192 -9.178 -4.291 1.00 0.00 N ATOM 0 H LYS A 185 11.614 -4.140 -1.661 1.00 0.00 H new ATOM 0 HA LYS A 185 14.313 -5.015 -1.654 1.00 0.00 H new ATOM 0 HB2 LYS A 185 12.264 -4.649 -3.852 1.00 0.00 H new ATOM 0 HB3 LYS A 185 13.830 -5.402 -4.080 1.00 0.00 H new ATOM 0 HG2 LYS A 185 13.303 -7.177 -2.544 1.00 0.00 H new ATOM 0 HG3 LYS A 185 11.857 -6.356 -1.989 1.00 0.00 H new ATOM 0 HD2 LYS A 185 10.884 -6.582 -4.282 1.00 0.00 H new ATOM 0 HD3 LYS A 185 12.311 -7.469 -4.779 1.00 0.00 H new ATOM 0 HE2 LYS A 185 11.898 -9.178 -3.074 1.00 0.00 H new ATOM 0 HE3 LYS A 185 10.545 -8.263 -2.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 9.909 -10.098 -3.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 9.346 -8.593 -4.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 10.682 -9.325 -5.196 1.00 0.00 H new ATOM 563 N LYS A 186 13.770 -2.064 -2.897 1.00 0.00 N ATOM 564 CA LYS A 186 14.502 -0.867 -3.295 1.00 0.00 C ATOM 565 C LYS A 186 15.289 -0.356 -2.109 1.00 0.00 C ATOM 566 O LYS A 186 14.734 0.176 -1.144 1.00 0.00 O ATOM 567 CB LYS A 186 13.595 0.212 -3.888 1.00 0.00 C ATOM 568 CG LYS A 186 12.907 -0.232 -5.168 1.00 0.00 C ATOM 569 CD LYS A 186 12.181 0.903 -5.871 1.00 0.00 C ATOM 570 CE LYS A 186 11.105 1.524 -5.008 1.00 0.00 C ATOM 571 NZ LYS A 186 10.333 2.551 -5.745 1.00 0.00 N ATOM 0 H LYS A 186 12.763 -1.941 -2.795 1.00 0.00 H new ATOM 0 HA LYS A 186 15.190 -1.134 -4.097 1.00 0.00 H new ATOM 0 HB2 LYS A 186 12.840 0.489 -3.153 1.00 0.00 H new ATOM 0 HB3 LYS A 186 14.186 1.105 -4.090 1.00 0.00 H new ATOM 0 HG2 LYS A 186 13.648 -0.657 -5.845 1.00 0.00 H new ATOM 0 HG3 LYS A 186 12.195 -1.024 -4.936 1.00 0.00 H new ATOM 0 HD2 LYS A 186 12.901 1.670 -6.156 1.00 0.00 H new ATOM 0 HD3 LYS A 186 11.733 0.529 -6.792 1.00 0.00 H new ATOM 0 HE2 LYS A 186 10.429 0.746 -4.654 1.00 0.00 H new ATOM 0 HE3 LYS A 186 11.561 1.975 -4.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 9.617 2.965 -5.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 10.977 3.298 -6.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 9.863 2.112 -6.562 1.00 0.00 H new ATOM 585 N ALA A 187 16.570 -0.536 -2.186 1.00 0.00 N ATOM 586 CA ALA A 187 17.441 -0.315 -1.075 1.00 0.00 C ATOM 587 C ALA A 187 17.927 1.104 -0.962 1.00 0.00 C ATOM 588 O ALA A 187 17.761 1.924 -1.872 1.00 0.00 O ATOM 589 CB ALA A 187 18.620 -1.252 -1.166 1.00 0.00 C ATOM 0 H ALA A 187 17.047 -0.845 -3.033 1.00 0.00 H new ATOM 0 HA ALA A 187 16.857 -0.513 -0.176 1.00 0.00 H new ATOM 0 HB1 ALA A 187 19.285 -1.084 -0.319 1.00 0.00 H new ATOM 0 HB2 ALA A 187 18.267 -2.283 -1.151 1.00 0.00 H new ATOM 0 HB3 ALA A 187 19.161 -1.067 -2.094 1.00 0.00 H new ATOM 595 N LYS A 188 18.499 1.370 0.174 1.00 0.00 N ATOM 596 CA LYS A 188 19.145 2.600 0.522 1.00 0.00 C ATOM 597 C LYS A 188 20.046 2.271 1.687 1.00 0.00 C ATOM 598 O LYS A 188 19.957 1.160 2.224 1.00 0.00 O ATOM 599 CB LYS A 188 18.151 3.742 0.906 1.00 0.00 C ATOM 600 CG LYS A 188 17.194 3.460 2.089 1.00 0.00 C ATOM 601 CD LYS A 188 16.024 2.543 1.720 1.00 0.00 C ATOM 602 CE LYS A 188 15.094 3.208 0.710 1.00 0.00 C ATOM 603 NZ LYS A 188 13.962 2.343 0.336 1.00 0.00 N ATOM 0 H LYS A 188 18.529 0.688 0.932 1.00 0.00 H new ATOM 0 HA LYS A 188 19.690 2.984 -0.340 1.00 0.00 H new ATOM 0 HB2 LYS A 188 18.732 4.634 1.143 1.00 0.00 H new ATOM 0 HB3 LYS A 188 17.548 3.978 0.029 1.00 0.00 H new ATOM 0 HG2 LYS A 188 17.759 3.006 2.903 1.00 0.00 H new ATOM 0 HG3 LYS A 188 16.801 4.406 2.462 1.00 0.00 H new ATOM 0 HD2 LYS A 188 16.407 1.611 1.305 1.00 0.00 H new ATOM 0 HD3 LYS A 188 15.464 2.286 2.619 1.00 0.00 H new ATOM 0 HE2 LYS A 188 14.713 4.139 1.129 1.00 0.00 H new ATOM 0 HE3 LYS A 188 15.660 3.469 -0.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 13.264 2.897 -0.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 14.305 1.557 -0.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 13.516 1.964 1.196 1.00 0.00 H new ATOM 617 N LYS A 189 20.900 3.164 2.067 1.00 0.00 N ATOM 618 CA LYS A 189 21.773 2.928 3.187 1.00 0.00 C ATOM 619 C LYS A 189 21.253 3.749 4.361 1.00 0.00 C ATOM 620 O LYS A 189 21.333 4.978 4.340 1.00 0.00 O ATOM 621 CB LYS A 189 23.230 3.288 2.798 1.00 0.00 C ATOM 622 CG LYS A 189 24.329 2.902 3.805 1.00 0.00 C ATOM 623 CD LYS A 189 24.419 3.847 4.993 1.00 0.00 C ATOM 624 CE LYS A 189 25.522 3.423 5.946 1.00 0.00 C ATOM 625 NZ LYS A 189 25.755 4.425 7.002 1.00 0.00 N ATOM 0 H LYS A 189 21.018 4.073 1.619 1.00 0.00 H new ATOM 0 HA LYS A 189 21.782 1.877 3.478 1.00 0.00 H new ATOM 0 HB2 LYS A 189 23.457 2.808 1.846 1.00 0.00 H new ATOM 0 HB3 LYS A 189 23.282 4.364 2.633 1.00 0.00 H new ATOM 0 HG2 LYS A 189 24.140 1.892 4.168 1.00 0.00 H new ATOM 0 HG3 LYS A 189 25.291 2.882 3.292 1.00 0.00 H new ATOM 0 HD2 LYS A 189 24.608 4.861 4.641 1.00 0.00 H new ATOM 0 HD3 LYS A 189 23.465 3.865 5.520 1.00 0.00 H new ATOM 0 HE2 LYS A 189 25.259 2.469 6.403 1.00 0.00 H new ATOM 0 HE3 LYS A 189 26.444 3.265 5.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 25.874 3.944 7.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 26.614 4.968 6.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 24.941 5.071 7.054 1.00 0.00 H new ATOM 639 N PRO A 190 20.680 3.090 5.375 1.00 0.00 N ATOM 640 CA PRO A 190 20.086 3.773 6.516 1.00 0.00 C ATOM 641 C PRO A 190 21.133 4.376 7.456 1.00 0.00 C ATOM 642 O PRO A 190 22.192 3.764 7.697 1.00 0.00 O ATOM 643 CB PRO A 190 19.290 2.675 7.226 1.00 0.00 C ATOM 644 CG PRO A 190 19.981 1.405 6.864 1.00 0.00 C ATOM 645 CD PRO A 190 20.576 1.617 5.495 1.00 0.00 C ATOM 0 HA PRO A 190 19.475 4.619 6.202 1.00 0.00 H new ATOM 0 HB2 PRO A 190 19.283 2.827 8.305 1.00 0.00 H new ATOM 0 HB3 PRO A 190 18.250 2.666 6.899 1.00 0.00 H new ATOM 0 HG2 PRO A 190 20.757 1.164 7.591 1.00 0.00 H new ATOM 0 HG3 PRO A 190 19.280 0.570 6.857 1.00 0.00 H new ATOM 0 HD2 PRO A 190 21.552 1.139 5.405 1.00 0.00 H new ATOM 0 HD3 PRO A 190 19.942 1.196 4.714 1.00 0.00 H new ATOM 653 N ALA A 191 20.818 5.573 7.961 1.00 0.00 N ATOM 654 CA ALA A 191 21.641 6.344 8.901 1.00 0.00 C ATOM 655 C ALA A 191 22.945 6.830 8.283 1.00 0.00 C ATOM 656 O ALA A 191 23.834 6.039 7.963 1.00 0.00 O ATOM 657 CB ALA A 191 21.892 5.582 10.201 1.00 0.00 C ATOM 0 H ALA A 191 19.950 6.050 7.718 1.00 0.00 H new ATOM 0 HA ALA A 191 21.061 7.233 9.147 1.00 0.00 H new ATOM 0 HB1 ALA A 191 22.505 6.190 10.867 1.00 0.00 H new ATOM 0 HB2 ALA A 191 20.940 5.363 10.684 1.00 0.00 H new ATOM 0 HB3 ALA A 191 22.411 4.649 9.981 1.00 0.00 H new ATOM 663 N LEU A 192 23.049 8.120 8.107 1.00 0.00 N ATOM 664 CA LEU A 192 24.254 8.725 7.597 1.00 0.00 C ATOM 665 C LEU A 192 25.059 9.186 8.791 1.00 0.00 C ATOM 666 O LEU A 192 26.059 8.539 9.136 1.00 0.00 O ATOM 667 CB LEU A 192 23.929 9.913 6.675 1.00 0.00 C ATOM 668 CG LEU A 192 25.133 10.644 6.053 1.00 0.00 C ATOM 669 CD1 LEU A 192 25.891 9.737 5.097 1.00 0.00 C ATOM 670 CD2 LEU A 192 24.689 11.915 5.350 1.00 0.00 C ATOM 671 OXT LEU A 192 24.613 10.131 9.477 1.00 0.00 O ATOM 0 H LEU A 192 22.302 8.783 8.313 1.00 0.00 H new ATOM 0 HA LEU A 192 24.817 8.006 7.002 1.00 0.00 H new ATOM 0 HB2 LEU A 192 23.292 9.554 5.867 1.00 0.00 H new ATOM 0 HB3 LEU A 192 23.345 10.637 7.243 1.00 0.00 H new ATOM 0 HG LEU A 192 25.810 10.920 6.862 1.00 0.00 H new ATOM 0 HD11 LEU A 192 26.736 10.280 4.673 1.00 0.00 H new ATOM 0 HD12 LEU A 192 26.255 8.863 5.637 1.00 0.00 H new ATOM 0 HD13 LEU A 192 25.226 9.417 4.295 1.00 0.00 H new ATOM 0 HD21 LEU A 192 25.557 12.414 4.919 1.00 0.00 H new ATOM 0 HD22 LEU A 192 23.983 11.665 4.558 1.00 0.00 H new ATOM 0 HD23 LEU A 192 24.208 12.579 6.068 1.00 0.00 H new TER 683 LEU A 192