USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=5 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 165:sc= 0.188 USER MOD Set 1.2: A 186 LYS NZ :NH3+ -120:sc= 0.19 (180deg=0) USER MOD Single : A 152 SER OG : rot 180:sc= 0 USER MOD Single : A 162 SER OG : rot 100:sc= 1.42 USER MOD Single : A 164 ASN : amide:sc= -0.539 K(o=-0.54,f=-3.1!) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 173 GLN : amide:sc= -0.32 X(o=-0.32,f=0) USER MOD Single : A 181 GLN : amide:sc= 0.45 K(o=0.45,f=-0.078) USER MOD Single : A 185 LYS NZ :NH3+ -160:sc= -0.368! (180deg=-2.07!) USER MOD Single : A 188 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 189 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 149 10.342 22.993 -4.888 1.00 0.00 N ATOM 2 CA GLY A 149 11.413 22.069 -4.524 1.00 0.00 C ATOM 3 C GLY A 149 10.844 20.858 -3.847 1.00 0.00 C ATOM 4 O GLY A 149 9.858 20.309 -4.339 1.00 0.00 O ATOM 0 HA2 GLY A 149 11.965 21.771 -5.416 1.00 0.00 H new ATOM 0 HA3 GLY A 149 12.122 22.565 -3.862 1.00 0.00 H new ATOM 10 N PRO A 150 11.435 20.397 -2.725 1.00 0.00 N ATOM 11 CA PRO A 150 10.904 19.261 -1.965 1.00 0.00 C ATOM 12 C PRO A 150 9.524 19.579 -1.387 1.00 0.00 C ATOM 13 O PRO A 150 9.390 20.312 -0.400 1.00 0.00 O ATOM 14 CB PRO A 150 11.928 19.047 -0.838 1.00 0.00 C ATOM 15 CG PRO A 150 13.151 19.774 -1.285 1.00 0.00 C ATOM 16 CD PRO A 150 12.667 20.924 -2.119 1.00 0.00 C ATOM 0 HA PRO A 150 10.772 18.376 -2.587 1.00 0.00 H new ATOM 0 HB2 PRO A 150 11.560 19.440 0.110 1.00 0.00 H new ATOM 0 HB3 PRO A 150 12.132 17.987 -0.686 1.00 0.00 H new ATOM 0 HG2 PRO A 150 13.729 20.127 -0.431 1.00 0.00 H new ATOM 0 HG3 PRO A 150 13.804 19.120 -1.863 1.00 0.00 H new ATOM 0 HD2 PRO A 150 12.472 21.809 -1.513 1.00 0.00 H new ATOM 0 HD3 PRO A 150 13.398 21.210 -2.875 1.00 0.00 H new ATOM 24 N GLY A 151 8.517 19.091 -2.050 1.00 0.00 N ATOM 25 CA GLY A 151 7.165 19.306 -1.647 1.00 0.00 C ATOM 26 C GLY A 151 6.250 18.533 -2.538 1.00 0.00 C ATOM 27 O GLY A 151 6.715 17.596 -3.213 1.00 0.00 O ATOM 0 H GLY A 151 8.616 18.527 -2.894 1.00 0.00 H new ATOM 0 HA2 GLY A 151 7.029 18.995 -0.611 1.00 0.00 H new ATOM 0 HA3 GLY A 151 6.925 20.368 -1.695 1.00 0.00 H new ATOM 31 N SER A 152 4.976 18.921 -2.576 1.00 0.00 N ATOM 32 CA SER A 152 3.955 18.245 -3.373 1.00 0.00 C ATOM 33 C SER A 152 3.811 16.790 -2.907 1.00 0.00 C ATOM 34 O SER A 152 3.527 15.908 -3.707 1.00 0.00 O ATOM 35 CB SER A 152 4.325 18.318 -4.870 1.00 0.00 C ATOM 36 OG SER A 152 4.510 19.670 -5.267 1.00 0.00 O ATOM 0 H SER A 152 4.621 19.720 -2.050 1.00 0.00 H new ATOM 0 HA SER A 152 2.995 18.743 -3.236 1.00 0.00 H new ATOM 0 HB2 SER A 152 5.237 17.750 -5.054 1.00 0.00 H new ATOM 0 HB3 SER A 152 3.538 17.860 -5.469 1.00 0.00 H new ATOM 0 HG SER A 152 4.746 19.702 -6.218 1.00 0.00 H new ATOM 42 N GLU A 153 3.942 16.588 -1.582 1.00 0.00 N ATOM 43 CA GLU A 153 3.925 15.267 -0.940 1.00 0.00 C ATOM 44 C GLU A 153 2.777 14.412 -1.443 1.00 0.00 C ATOM 45 O GLU A 153 2.989 13.333 -1.995 1.00 0.00 O ATOM 46 CB GLU A 153 3.803 15.371 0.596 1.00 0.00 C ATOM 47 CG GLU A 153 4.798 16.292 1.292 1.00 0.00 C ATOM 48 CD GLU A 153 4.375 17.744 1.290 1.00 0.00 C ATOM 49 OE1 GLU A 153 4.636 18.459 0.309 1.00 0.00 O ATOM 50 OE2 GLU A 153 3.799 18.206 2.295 1.00 0.00 O ATOM 0 H GLU A 153 4.065 17.354 -0.919 1.00 0.00 H new ATOM 0 HA GLU A 153 4.876 14.802 -1.201 1.00 0.00 H new ATOM 0 HB2 GLU A 153 2.796 15.711 0.837 1.00 0.00 H new ATOM 0 HB3 GLU A 153 3.911 14.371 1.016 1.00 0.00 H new ATOM 0 HG2 GLU A 153 4.929 15.961 2.322 1.00 0.00 H new ATOM 0 HG3 GLU A 153 5.768 16.203 0.803 1.00 0.00 H new ATOM 57 N ASP A 154 1.579 14.917 -1.277 1.00 0.00 N ATOM 58 CA ASP A 154 0.374 14.211 -1.679 1.00 0.00 C ATOM 59 C ASP A 154 -0.054 14.634 -3.076 1.00 0.00 C ATOM 60 O ASP A 154 -0.718 13.887 -3.786 1.00 0.00 O ATOM 61 CB ASP A 154 -0.744 14.486 -0.670 1.00 0.00 C ATOM 62 CG ASP A 154 -2.047 13.791 -1.004 1.00 0.00 C ATOM 63 OD1 ASP A 154 -2.166 12.569 -0.753 1.00 0.00 O ATOM 64 OD2 ASP A 154 -2.973 14.460 -1.514 1.00 0.00 O ATOM 0 H ASP A 154 1.405 15.831 -0.859 1.00 0.00 H new ATOM 0 HA ASP A 154 0.581 13.141 -1.699 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -0.415 14.168 0.319 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -0.918 15.561 -0.617 1.00 0.00 H new ATOM 69 N ASP A 155 0.378 15.824 -3.477 1.00 0.00 N ATOM 70 CA ASP A 155 0.019 16.408 -4.789 1.00 0.00 C ATOM 71 C ASP A 155 0.632 15.626 -5.942 1.00 0.00 C ATOM 72 O ASP A 155 0.103 15.609 -7.049 1.00 0.00 O ATOM 73 CB ASP A 155 0.474 17.876 -4.900 1.00 0.00 C ATOM 74 CG ASP A 155 -0.215 18.819 -3.944 1.00 0.00 C ATOM 75 OD1 ASP A 155 0.284 19.008 -2.814 1.00 0.00 O ATOM 76 OD2 ASP A 155 -1.261 19.404 -4.304 1.00 0.00 O ATOM 0 H ASP A 155 0.985 16.419 -2.913 1.00 0.00 H new ATOM 0 HA ASP A 155 -1.068 16.357 -4.855 1.00 0.00 H new ATOM 0 HB2 ASP A 155 1.549 17.924 -4.726 1.00 0.00 H new ATOM 0 HB3 ASP A 155 0.300 18.221 -5.919 1.00 0.00 H new ATOM 81 N ASP A 156 1.760 15.002 -5.682 1.00 0.00 N ATOM 82 CA ASP A 156 2.471 14.234 -6.706 1.00 0.00 C ATOM 83 C ASP A 156 1.887 12.847 -6.852 1.00 0.00 C ATOM 84 O ASP A 156 2.000 12.217 -7.894 1.00 0.00 O ATOM 85 CB ASP A 156 3.960 14.143 -6.366 1.00 0.00 C ATOM 86 CG ASP A 156 4.785 13.425 -7.427 1.00 0.00 C ATOM 87 OD1 ASP A 156 4.882 13.932 -8.568 1.00 0.00 O ATOM 88 OD2 ASP A 156 5.396 12.378 -7.123 1.00 0.00 O ATOM 0 H ASP A 156 2.214 15.006 -4.769 1.00 0.00 H new ATOM 0 HA ASP A 156 2.354 14.755 -7.656 1.00 0.00 H new ATOM 0 HB2 ASP A 156 4.355 15.150 -6.230 1.00 0.00 H new ATOM 0 HB3 ASP A 156 4.076 13.624 -5.415 1.00 0.00 H new ATOM 93 N ILE A 157 1.234 12.400 -5.827 1.00 0.00 N ATOM 94 CA ILE A 157 0.684 11.063 -5.801 1.00 0.00 C ATOM 95 C ILE A 157 -0.653 11.012 -6.544 1.00 0.00 C ATOM 96 O ILE A 157 -1.541 11.855 -6.329 1.00 0.00 O ATOM 97 CB ILE A 157 0.492 10.562 -4.341 1.00 0.00 C ATOM 98 CG1 ILE A 157 1.827 10.617 -3.580 1.00 0.00 C ATOM 99 CG2 ILE A 157 -0.069 9.133 -4.322 1.00 0.00 C ATOM 100 CD1 ILE A 157 1.715 10.246 -2.116 1.00 0.00 C ATOM 0 H ILE A 157 1.062 12.943 -4.981 1.00 0.00 H new ATOM 0 HA ILE A 157 1.395 10.407 -6.303 1.00 0.00 H new ATOM 0 HB ILE A 157 -0.225 11.218 -3.847 1.00 0.00 H new ATOM 0 HG12 ILE A 157 2.537 9.944 -4.062 1.00 0.00 H new ATOM 0 HG13 ILE A 157 2.238 11.624 -3.659 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -0.194 8.805 -3.290 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -1.034 9.114 -4.829 1.00 0.00 H new ATOM 0 HG23 ILE A 157 0.623 8.464 -4.834 1.00 0.00 H new ATOM 0 HD11 ILE A 157 2.698 10.309 -1.649 1.00 0.00 H new ATOM 0 HD12 ILE A 157 1.032 10.934 -1.618 1.00 0.00 H new ATOM 0 HD13 ILE A 157 1.335 9.228 -2.027 1.00 0.00 H new ATOM 112 N ASP A 158 -0.773 10.063 -7.445 1.00 0.00 N ATOM 113 CA ASP A 158 -2.016 9.819 -8.151 1.00 0.00 C ATOM 114 C ASP A 158 -2.612 8.548 -7.628 1.00 0.00 C ATOM 115 O ASP A 158 -1.901 7.707 -7.065 1.00 0.00 O ATOM 116 CB ASP A 158 -1.816 9.657 -9.671 1.00 0.00 C ATOM 117 CG ASP A 158 -1.390 10.908 -10.389 1.00 0.00 C ATOM 118 OD1 ASP A 158 -2.162 11.874 -10.433 1.00 0.00 O ATOM 119 OD2 ASP A 158 -0.293 10.930 -10.992 1.00 0.00 O ATOM 0 H ASP A 158 -0.013 9.437 -7.711 1.00 0.00 H new ATOM 0 HA ASP A 158 -2.663 10.681 -7.986 1.00 0.00 H new ATOM 0 HB2 ASP A 158 -1.068 8.883 -9.844 1.00 0.00 H new ATOM 0 HB3 ASP A 158 -2.749 9.303 -10.110 1.00 0.00 H new ATOM 124 N LEU A 159 -3.890 8.371 -7.823 1.00 0.00 N ATOM 125 CA LEU A 159 -4.541 7.154 -7.421 1.00 0.00 C ATOM 126 C LEU A 159 -4.456 6.160 -8.566 1.00 0.00 C ATOM 127 O LEU A 159 -5.443 5.862 -9.256 1.00 0.00 O ATOM 128 CB LEU A 159 -6.002 7.367 -6.946 1.00 0.00 C ATOM 129 CG LEU A 159 -6.228 8.056 -5.575 1.00 0.00 C ATOM 130 CD1 LEU A 159 -5.663 9.470 -5.532 1.00 0.00 C ATOM 131 CD2 LEU A 159 -7.710 8.077 -5.237 1.00 0.00 C ATOM 0 H LEU A 159 -4.504 9.058 -8.260 1.00 0.00 H new ATOM 0 HA LEU A 159 -4.021 6.759 -6.548 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -6.517 7.956 -7.705 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -6.488 6.392 -6.914 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.689 7.471 -4.830 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -5.848 9.906 -4.550 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -4.590 9.439 -5.718 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -6.146 10.078 -6.296 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -7.856 8.563 -4.272 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -8.251 8.628 -6.007 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -8.087 7.055 -5.189 1.00 0.00 H new ATOM 143 N PHE A 160 -3.240 5.685 -8.774 1.00 0.00 N ATOM 144 CA PHE A 160 -2.863 4.780 -9.872 1.00 0.00 C ATOM 145 C PHE A 160 -3.573 3.425 -9.793 1.00 0.00 C ATOM 146 O PHE A 160 -3.577 2.651 -10.743 1.00 0.00 O ATOM 147 CB PHE A 160 -1.329 4.581 -9.873 1.00 0.00 C ATOM 148 CG PHE A 160 -0.771 4.031 -8.572 1.00 0.00 C ATOM 149 CD1 PHE A 160 -0.372 4.882 -7.554 1.00 0.00 C ATOM 150 CD2 PHE A 160 -0.661 2.663 -8.369 1.00 0.00 C ATOM 151 CE1 PHE A 160 0.120 4.384 -6.367 1.00 0.00 C ATOM 152 CE2 PHE A 160 -0.167 2.158 -7.184 1.00 0.00 C ATOM 153 CZ PHE A 160 0.223 3.020 -6.181 1.00 0.00 C ATOM 0 H PHE A 160 -2.454 5.920 -8.168 1.00 0.00 H new ATOM 0 HA PHE A 160 -3.181 5.246 -10.804 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -1.062 3.904 -10.684 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -0.850 5.537 -10.085 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -0.448 5.950 -7.693 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -0.967 1.983 -9.150 1.00 0.00 H new ATOM 0 HE1 PHE A 160 0.425 5.061 -5.582 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -0.086 1.090 -7.042 1.00 0.00 H new ATOM 0 HZ PHE A 160 0.609 2.629 -5.251 1.00 0.00 H new ATOM 163 N GLY A 161 -4.134 3.157 -8.667 1.00 0.00 N ATOM 164 CA GLY A 161 -4.792 1.920 -8.437 1.00 0.00 C ATOM 165 C GLY A 161 -4.504 1.520 -7.056 1.00 0.00 C ATOM 166 O GLY A 161 -3.837 0.530 -6.806 1.00 0.00 O ATOM 0 H GLY A 161 -4.149 3.796 -7.872 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -5.866 2.022 -8.591 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -4.440 1.162 -9.137 1.00 0.00 H new ATOM 170 N SER A 162 -4.943 2.337 -6.154 1.00 0.00 N ATOM 171 CA SER A 162 -4.665 2.144 -4.777 1.00 0.00 C ATOM 172 C SER A 162 -5.913 2.392 -3.937 1.00 0.00 C ATOM 173 O SER A 162 -6.543 1.463 -3.439 1.00 0.00 O ATOM 174 CB SER A 162 -3.520 3.090 -4.391 1.00 0.00 C ATOM 175 OG SER A 162 -3.812 4.431 -4.829 1.00 0.00 O ATOM 0 H SER A 162 -5.508 3.161 -6.359 1.00 0.00 H new ATOM 0 HA SER A 162 -4.363 1.114 -4.587 1.00 0.00 H new ATOM 0 HB2 SER A 162 -3.376 3.076 -3.311 1.00 0.00 H new ATOM 0 HB3 SER A 162 -2.588 2.748 -4.841 1.00 0.00 H new ATOM 0 HG SER A 162 -4.155 4.954 -4.075 1.00 0.00 H new ATOM 181 N ASP A 163 -6.307 3.632 -3.897 1.00 0.00 N ATOM 182 CA ASP A 163 -7.404 4.122 -3.075 1.00 0.00 C ATOM 183 C ASP A 163 -8.690 4.151 -3.879 1.00 0.00 C ATOM 184 O ASP A 163 -9.644 4.851 -3.539 1.00 0.00 O ATOM 185 CB ASP A 163 -7.069 5.554 -2.632 1.00 0.00 C ATOM 186 CG ASP A 163 -5.758 5.674 -1.881 1.00 0.00 C ATOM 187 OD1 ASP A 163 -4.669 5.573 -2.516 1.00 0.00 O ATOM 188 OD2 ASP A 163 -5.787 5.905 -0.658 1.00 0.00 O ATOM 0 H ASP A 163 -5.865 4.365 -4.451 1.00 0.00 H new ATOM 0 HA ASP A 163 -7.536 3.466 -2.215 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -7.033 6.197 -3.512 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -7.875 5.926 -1.999 1.00 0.00 H new ATOM 193 N ASN A 164 -8.729 3.380 -4.925 1.00 0.00 N ATOM 194 CA ASN A 164 -9.867 3.390 -5.825 1.00 0.00 C ATOM 195 C ASN A 164 -10.894 2.364 -5.385 1.00 0.00 C ATOM 196 O ASN A 164 -12.065 2.698 -5.133 1.00 0.00 O ATOM 197 CB ASN A 164 -9.426 3.147 -7.272 1.00 0.00 C ATOM 198 CG ASN A 164 -8.472 4.217 -7.795 1.00 0.00 C ATOM 199 OD1 ASN A 164 -8.511 5.364 -7.370 1.00 0.00 O ATOM 200 ND2 ASN A 164 -7.620 3.856 -8.718 1.00 0.00 N ATOM 0 H ASN A 164 -7.987 2.730 -5.185 1.00 0.00 H new ATOM 0 HA ASN A 164 -10.330 4.376 -5.785 1.00 0.00 H new ATOM 0 HB2 ASN A 164 -8.942 2.173 -7.339 1.00 0.00 H new ATOM 0 HB3 ASN A 164 -10.307 3.110 -7.913 1.00 0.00 H new ATOM 0 HD21 ASN A 164 -6.965 4.537 -9.102 1.00 0.00 H new ATOM 0 HD22 ASN A 164 -7.610 2.893 -9.054 1.00 0.00 H new ATOM 207 N GLU A 165 -10.477 1.122 -5.309 1.00 0.00 N ATOM 208 CA GLU A 165 -11.321 0.076 -4.813 1.00 0.00 C ATOM 209 C GLU A 165 -11.293 0.101 -3.301 1.00 0.00 C ATOM 210 O GLU A 165 -10.356 -0.382 -2.678 1.00 0.00 O ATOM 211 CB GLU A 165 -10.929 -1.316 -5.339 1.00 0.00 C ATOM 212 CG GLU A 165 -10.767 -1.415 -6.854 1.00 0.00 C ATOM 213 CD GLU A 165 -9.363 -1.106 -7.327 1.00 0.00 C ATOM 214 OE1 GLU A 165 -8.777 -0.065 -6.938 1.00 0.00 O ATOM 215 OE2 GLU A 165 -8.799 -1.903 -8.099 1.00 0.00 O ATOM 0 H GLU A 165 -9.546 0.815 -5.590 1.00 0.00 H new ATOM 0 HA GLU A 165 -12.331 0.261 -5.178 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -9.992 -1.614 -4.869 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -11.686 -2.033 -5.023 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -11.039 -2.420 -7.177 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -11.464 -0.727 -7.333 1.00 0.00 H new ATOM 222 N GLU A 166 -12.308 0.695 -2.738 1.00 0.00 N ATOM 223 CA GLU A 166 -12.414 0.888 -1.306 1.00 0.00 C ATOM 224 C GLU A 166 -13.041 -0.325 -0.630 1.00 0.00 C ATOM 225 O GLU A 166 -12.757 -0.626 0.536 1.00 0.00 O ATOM 226 CB GLU A 166 -13.243 2.151 -1.030 1.00 0.00 C ATOM 227 CG GLU A 166 -14.623 2.133 -1.689 1.00 0.00 C ATOM 228 CD GLU A 166 -15.393 3.399 -1.476 1.00 0.00 C ATOM 229 OE1 GLU A 166 -15.248 4.335 -2.287 1.00 0.00 O ATOM 230 OE2 GLU A 166 -16.168 3.484 -0.505 1.00 0.00 O ATOM 0 H GLU A 166 -13.100 1.067 -3.263 1.00 0.00 H new ATOM 0 HA GLU A 166 -11.414 1.010 -0.890 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -13.365 2.267 0.047 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -12.692 3.022 -1.384 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -14.506 1.962 -2.759 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -15.197 1.295 -1.293 1.00 0.00 H new ATOM 237 N GLU A 167 -13.881 -1.010 -1.361 1.00 0.00 N ATOM 238 CA GLU A 167 -14.594 -2.160 -0.860 1.00 0.00 C ATOM 239 C GLU A 167 -13.787 -3.434 -1.064 1.00 0.00 C ATOM 240 O GLU A 167 -13.787 -4.337 -0.224 1.00 0.00 O ATOM 241 CB GLU A 167 -15.932 -2.266 -1.592 1.00 0.00 C ATOM 242 CG GLU A 167 -16.755 -3.484 -1.243 1.00 0.00 C ATOM 243 CD GLU A 167 -18.017 -3.563 -2.048 1.00 0.00 C ATOM 244 OE1 GLU A 167 -17.968 -3.994 -3.227 1.00 0.00 O ATOM 245 OE2 GLU A 167 -19.086 -3.214 -1.524 1.00 0.00 O ATOM 0 H GLU A 167 -14.093 -0.784 -2.333 1.00 0.00 H new ATOM 0 HA GLU A 167 -14.760 -2.038 0.210 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -16.520 -1.374 -1.375 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -15.743 -2.269 -2.665 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -16.161 -4.382 -1.412 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -17.003 -3.461 -0.182 1.00 0.00 H new ATOM 252 N ASP A 168 -13.088 -3.479 -2.163 1.00 0.00 N ATOM 253 CA ASP A 168 -12.397 -4.673 -2.604 1.00 0.00 C ATOM 254 C ASP A 168 -11.154 -4.959 -1.807 1.00 0.00 C ATOM 255 O ASP A 168 -10.068 -4.432 -2.087 1.00 0.00 O ATOM 256 CB ASP A 168 -12.067 -4.591 -4.088 1.00 0.00 C ATOM 257 CG ASP A 168 -13.292 -4.376 -4.934 1.00 0.00 C ATOM 258 OD1 ASP A 168 -13.808 -3.237 -4.978 1.00 0.00 O ATOM 259 OD2 ASP A 168 -13.783 -5.344 -5.551 1.00 0.00 O ATOM 0 H ASP A 168 -12.976 -2.682 -2.790 1.00 0.00 H new ATOM 0 HA ASP A 168 -13.081 -5.505 -2.434 1.00 0.00 H new ATOM 0 HB2 ASP A 168 -11.364 -3.776 -4.257 1.00 0.00 H new ATOM 0 HB3 ASP A 168 -11.570 -5.510 -4.399 1.00 0.00 H new ATOM 264 N LYS A 169 -11.314 -5.813 -0.823 1.00 0.00 N ATOM 265 CA LYS A 169 -10.234 -6.243 0.042 1.00 0.00 C ATOM 266 C LYS A 169 -9.236 -7.070 -0.760 1.00 0.00 C ATOM 267 O LYS A 169 -8.038 -7.051 -0.491 1.00 0.00 O ATOM 268 CB LYS A 169 -10.796 -7.079 1.192 1.00 0.00 C ATOM 269 CG LYS A 169 -9.764 -7.544 2.202 1.00 0.00 C ATOM 270 CD LYS A 169 -10.396 -8.462 3.217 1.00 0.00 C ATOM 271 CE LYS A 169 -9.388 -8.971 4.226 1.00 0.00 C ATOM 272 NZ LYS A 169 -9.998 -9.944 5.148 1.00 0.00 N ATOM 0 H LYS A 169 -12.213 -6.237 -0.595 1.00 0.00 H new ATOM 0 HA LYS A 169 -9.728 -5.368 0.451 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -11.555 -6.494 1.712 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -11.297 -7.953 0.776 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -8.953 -8.062 1.690 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -9.325 -6.683 2.705 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -11.194 -7.933 3.737 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -10.855 -9.308 2.705 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -8.551 -9.436 3.705 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -8.984 -8.133 4.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -9.283 -10.274 5.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -10.781 -9.492 5.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -10.362 -10.754 4.607 1.00 0.00 H new ATOM 286 N GLU A 170 -9.756 -7.777 -1.761 1.00 0.00 N ATOM 287 CA GLU A 170 -8.957 -8.593 -2.654 1.00 0.00 C ATOM 288 C GLU A 170 -7.902 -7.708 -3.311 1.00 0.00 C ATOM 289 O GLU A 170 -6.699 -7.996 -3.255 1.00 0.00 O ATOM 290 CB GLU A 170 -9.860 -9.202 -3.735 1.00 0.00 C ATOM 291 CG GLU A 170 -9.183 -10.233 -4.626 1.00 0.00 C ATOM 292 CD GLU A 170 -8.770 -11.455 -3.858 1.00 0.00 C ATOM 293 OE1 GLU A 170 -9.655 -12.217 -3.430 1.00 0.00 O ATOM 294 OE2 GLU A 170 -7.548 -11.682 -3.662 1.00 0.00 O ATOM 0 H GLU A 170 -10.754 -7.795 -1.972 1.00 0.00 H new ATOM 0 HA GLU A 170 -8.475 -9.395 -2.096 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -10.718 -9.668 -3.251 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -10.245 -8.398 -4.362 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -9.863 -10.521 -5.428 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -8.307 -9.787 -5.096 1.00 0.00 H new ATOM 301 N ALA A 171 -8.363 -6.598 -3.868 1.00 0.00 N ATOM 302 CA ALA A 171 -7.502 -5.660 -4.545 1.00 0.00 C ATOM 303 C ALA A 171 -6.577 -4.980 -3.553 1.00 0.00 C ATOM 304 O ALA A 171 -5.377 -4.868 -3.795 1.00 0.00 O ATOM 305 CB ALA A 171 -8.332 -4.635 -5.306 1.00 0.00 C ATOM 0 H ALA A 171 -9.347 -6.329 -3.859 1.00 0.00 H new ATOM 0 HA ALA A 171 -6.888 -6.203 -5.264 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -7.669 -3.933 -5.812 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -8.952 -5.144 -6.043 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -8.970 -4.093 -4.608 1.00 0.00 H new ATOM 311 N ALA A 172 -7.143 -4.571 -2.419 1.00 0.00 N ATOM 312 CA ALA A 172 -6.400 -3.888 -1.366 1.00 0.00 C ATOM 313 C ALA A 172 -5.238 -4.735 -0.841 1.00 0.00 C ATOM 314 O ALA A 172 -4.135 -4.219 -0.641 1.00 0.00 O ATOM 315 CB ALA A 172 -7.326 -3.488 -0.226 1.00 0.00 C ATOM 0 H ALA A 172 -8.131 -4.705 -2.206 1.00 0.00 H new ATOM 0 HA ALA A 172 -5.974 -2.986 -1.806 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -6.751 -2.980 0.548 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -8.099 -2.818 -0.603 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -7.792 -4.379 0.194 1.00 0.00 H new ATOM 321 N GLN A 173 -5.470 -6.030 -0.652 1.00 0.00 N ATOM 322 CA GLN A 173 -4.430 -6.910 -0.153 1.00 0.00 C ATOM 323 C GLN A 173 -3.295 -7.055 -1.159 1.00 0.00 C ATOM 324 O GLN A 173 -2.144 -6.811 -0.819 1.00 0.00 O ATOM 325 CB GLN A 173 -4.956 -8.299 0.233 1.00 0.00 C ATOM 326 CG GLN A 173 -3.845 -9.199 0.784 1.00 0.00 C ATOM 327 CD GLN A 173 -4.247 -10.640 1.021 1.00 0.00 C ATOM 328 OE1 GLN A 173 -3.413 -11.541 0.899 1.00 0.00 O ATOM 329 NE2 GLN A 173 -5.483 -10.877 1.372 1.00 0.00 N ATOM 0 H GLN A 173 -6.363 -6.487 -0.836 1.00 0.00 H new ATOM 0 HA GLN A 173 -4.051 -6.436 0.753 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -5.742 -8.194 0.981 1.00 0.00 H new ATOM 0 HB3 GLN A 173 -5.407 -8.772 -0.640 1.00 0.00 H new ATOM 0 HG2 GLN A 173 -3.006 -9.181 0.089 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -3.489 -8.777 1.724 1.00 0.00 H new ATOM 0 HE21 GLN A 173 -6.144 -10.106 1.463 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -5.787 -11.833 1.555 1.00 0.00 H new ATOM 338 N LEU A 174 -3.621 -7.405 -2.404 1.00 0.00 N ATOM 339 CA LEU A 174 -2.589 -7.658 -3.411 1.00 0.00 C ATOM 340 C LEU A 174 -1.709 -6.436 -3.671 1.00 0.00 C ATOM 341 O LEU A 174 -0.492 -6.560 -3.836 1.00 0.00 O ATOM 342 CB LEU A 174 -3.185 -8.275 -4.699 1.00 0.00 C ATOM 343 CG LEU A 174 -4.273 -7.481 -5.445 1.00 0.00 C ATOM 344 CD1 LEU A 174 -3.688 -6.438 -6.380 1.00 0.00 C ATOM 345 CD2 LEU A 174 -5.211 -8.413 -6.182 1.00 0.00 C ATOM 0 H LEU A 174 -4.578 -7.519 -2.737 1.00 0.00 H new ATOM 0 HA LEU A 174 -1.915 -8.409 -2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -2.365 -8.452 -5.395 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -3.600 -9.249 -4.441 1.00 0.00 H new ATOM 0 HG LEU A 174 -4.848 -6.941 -4.693 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -4.496 -5.906 -6.882 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -3.088 -5.731 -5.807 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -3.059 -6.928 -7.124 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -5.971 -7.829 -6.701 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -4.646 -8.999 -6.907 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -5.692 -9.083 -5.470 1.00 0.00 H new ATOM 357 N ARG A 175 -2.301 -5.248 -3.646 1.00 0.00 N ATOM 358 CA ARG A 175 -1.522 -4.044 -3.850 1.00 0.00 C ATOM 359 C ARG A 175 -0.660 -3.727 -2.643 1.00 0.00 C ATOM 360 O ARG A 175 0.415 -3.152 -2.773 1.00 0.00 O ATOM 361 CB ARG A 175 -2.381 -2.860 -4.262 1.00 0.00 C ATOM 362 CG ARG A 175 -3.474 -2.485 -3.289 1.00 0.00 C ATOM 363 CD ARG A 175 -4.372 -1.450 -3.899 1.00 0.00 C ATOM 364 NE ARG A 175 -4.911 -1.918 -5.188 1.00 0.00 N ATOM 365 CZ ARG A 175 -6.055 -1.558 -5.751 1.00 0.00 C ATOM 366 NH1 ARG A 175 -6.879 -0.708 -5.156 1.00 0.00 N ATOM 367 NH2 ARG A 175 -6.368 -2.053 -6.940 1.00 0.00 N ATOM 0 H ARG A 175 -3.298 -5.098 -3.489 1.00 0.00 H new ATOM 0 HA ARG A 175 -0.851 -4.241 -4.686 1.00 0.00 H new ATOM 0 HB2 ARG A 175 -1.733 -1.995 -4.406 1.00 0.00 H new ATOM 0 HB3 ARG A 175 -2.837 -3.081 -5.227 1.00 0.00 H new ATOM 0 HG2 ARG A 175 -4.053 -3.369 -3.022 1.00 0.00 H new ATOM 0 HG3 ARG A 175 -3.036 -2.101 -2.368 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -5.192 -1.226 -3.217 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -3.818 -0.523 -4.047 1.00 0.00 H new ATOM 0 HE ARG A 175 -4.343 -2.591 -5.702 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -6.638 -0.316 -4.246 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -7.755 -0.445 -5.608 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -5.732 -2.700 -7.406 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -7.245 -1.787 -7.388 1.00 0.00 H new ATOM 381 N GLU A 176 -1.107 -4.157 -1.479 1.00 0.00 N ATOM 382 CA GLU A 176 -0.360 -3.958 -0.263 1.00 0.00 C ATOM 383 C GLU A 176 0.859 -4.881 -0.289 1.00 0.00 C ATOM 384 O GLU A 176 1.962 -4.464 0.049 1.00 0.00 O ATOM 385 CB GLU A 176 -1.241 -4.264 0.954 1.00 0.00 C ATOM 386 CG GLU A 176 -0.667 -3.816 2.287 1.00 0.00 C ATOM 387 CD GLU A 176 -0.404 -2.328 2.331 1.00 0.00 C ATOM 388 OE1 GLU A 176 -1.298 -1.535 1.993 1.00 0.00 O ATOM 389 OE2 GLU A 176 0.709 -1.919 2.731 1.00 0.00 O ATOM 0 H GLU A 176 -1.991 -4.650 -1.355 1.00 0.00 H new ATOM 0 HA GLU A 176 -0.034 -2.921 -0.189 1.00 0.00 H new ATOM 0 HB2 GLU A 176 -2.210 -3.785 0.813 1.00 0.00 H new ATOM 0 HB3 GLU A 176 -1.419 -5.339 0.994 1.00 0.00 H new ATOM 0 HG2 GLU A 176 -1.359 -4.084 3.086 1.00 0.00 H new ATOM 0 HG3 GLU A 176 0.263 -4.352 2.478 1.00 0.00 H new ATOM 396 N GLU A 177 0.641 -6.125 -0.739 1.00 0.00 N ATOM 397 CA GLU A 177 1.699 -7.134 -0.851 1.00 0.00 C ATOM 398 C GLU A 177 2.814 -6.652 -1.786 1.00 0.00 C ATOM 399 O GLU A 177 3.987 -6.574 -1.392 1.00 0.00 O ATOM 400 CB GLU A 177 1.135 -8.460 -1.400 1.00 0.00 C ATOM 401 CG GLU A 177 0.027 -9.097 -0.568 1.00 0.00 C ATOM 402 CD GLU A 177 0.450 -9.404 0.838 1.00 0.00 C ATOM 403 OE1 GLU A 177 1.230 -10.356 1.049 1.00 0.00 O ATOM 404 OE2 GLU A 177 0.027 -8.694 1.771 1.00 0.00 O ATOM 0 H GLU A 177 -0.276 -6.458 -1.036 1.00 0.00 H new ATOM 0 HA GLU A 177 2.103 -7.294 0.148 1.00 0.00 H new ATOM 0 HB2 GLU A 177 0.754 -8.284 -2.406 1.00 0.00 H new ATOM 0 HB3 GLU A 177 1.954 -9.174 -1.490 1.00 0.00 H new ATOM 0 HG2 GLU A 177 -0.832 -8.427 -0.544 1.00 0.00 H new ATOM 0 HG3 GLU A 177 -0.299 -10.017 -1.052 1.00 0.00 H new ATOM 411 N ARG A 178 2.430 -6.299 -3.011 1.00 0.00 N ATOM 412 CA ARG A 178 3.385 -5.877 -4.035 1.00 0.00 C ATOM 413 C ARG A 178 4.131 -4.604 -3.634 1.00 0.00 C ATOM 414 O ARG A 178 5.344 -4.506 -3.820 1.00 0.00 O ATOM 415 CB ARG A 178 2.695 -5.715 -5.399 1.00 0.00 C ATOM 416 CG ARG A 178 1.620 -4.656 -5.431 1.00 0.00 C ATOM 417 CD ARG A 178 0.817 -4.678 -6.721 1.00 0.00 C ATOM 418 NE ARG A 178 1.642 -4.432 -7.901 1.00 0.00 N ATOM 419 CZ ARG A 178 1.458 -3.430 -8.771 1.00 0.00 C ATOM 420 NH1 ARG A 178 0.553 -2.485 -8.536 1.00 0.00 N ATOM 421 NH2 ARG A 178 2.212 -3.362 -9.857 1.00 0.00 N ATOM 0 H ARG A 178 1.458 -6.297 -3.320 1.00 0.00 H new ATOM 0 HA ARG A 178 4.131 -6.666 -4.126 1.00 0.00 H new ATOM 0 HB2 ARG A 178 3.449 -5.473 -6.148 1.00 0.00 H new ATOM 0 HB3 ARG A 178 2.256 -6.670 -5.686 1.00 0.00 H new ATOM 0 HG2 ARG A 178 0.947 -4.801 -4.586 1.00 0.00 H new ATOM 0 HG3 ARG A 178 2.078 -3.674 -5.309 1.00 0.00 H new ATOM 0 HD2 ARG A 178 0.325 -5.645 -6.822 1.00 0.00 H new ATOM 0 HD3 ARG A 178 0.031 -3.924 -6.668 1.00 0.00 H new ATOM 0 HE ARG A 178 2.417 -5.072 -8.076 1.00 0.00 H new ATOM 0 HH11 ARG A 178 -0.010 -2.518 -7.686 1.00 0.00 H new ATOM 0 HH12 ARG A 178 0.422 -1.727 -9.206 1.00 0.00 H new ATOM 0 HH21 ARG A 178 2.927 -4.069 -10.027 1.00 0.00 H new ATOM 0 HH22 ARG A 178 2.078 -2.602 -10.524 1.00 0.00 H new ATOM 435 N LEU A 179 3.424 -3.661 -3.033 1.00 0.00 N ATOM 436 CA LEU A 179 4.028 -2.405 -2.636 1.00 0.00 C ATOM 437 C LEU A 179 4.931 -2.608 -1.422 1.00 0.00 C ATOM 438 O LEU A 179 5.915 -1.894 -1.245 1.00 0.00 O ATOM 439 CB LEU A 179 2.946 -1.349 -2.348 1.00 0.00 C ATOM 440 CG LEU A 179 3.428 0.067 -2.004 1.00 0.00 C ATOM 441 CD1 LEU A 179 4.189 0.686 -3.173 1.00 0.00 C ATOM 442 CD2 LEU A 179 2.252 0.947 -1.605 1.00 0.00 C ATOM 0 H LEU A 179 2.432 -3.744 -2.811 1.00 0.00 H new ATOM 0 HA LEU A 179 4.642 -2.040 -3.459 1.00 0.00 H new ATOM 0 HB2 LEU A 179 2.296 -1.283 -3.221 1.00 0.00 H new ATOM 0 HB3 LEU A 179 2.333 -1.708 -1.521 1.00 0.00 H new ATOM 0 HG LEU A 179 4.111 -0.004 -1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 179 4.519 1.689 -2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 179 5.057 0.070 -3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 179 3.536 0.742 -4.044 1.00 0.00 H new ATOM 0 HD21 LEU A 179 2.611 1.947 -1.364 1.00 0.00 H new ATOM 0 HD22 LEU A 179 1.544 1.005 -2.432 1.00 0.00 H new ATOM 0 HD23 LEU A 179 1.757 0.520 -0.733 1.00 0.00 H new ATOM 454 N ARG A 180 4.621 -3.615 -0.624 1.00 0.00 N ATOM 455 CA ARG A 180 5.399 -3.920 0.560 1.00 0.00 C ATOM 456 C ARG A 180 6.725 -4.497 0.142 1.00 0.00 C ATOM 457 O ARG A 180 7.760 -4.047 0.593 1.00 0.00 O ATOM 458 CB ARG A 180 4.659 -4.903 1.465 1.00 0.00 C ATOM 459 CG ARG A 180 5.328 -5.154 2.807 1.00 0.00 C ATOM 460 CD ARG A 180 4.574 -6.214 3.594 1.00 0.00 C ATOM 461 NE ARG A 180 4.612 -7.527 2.926 1.00 0.00 N ATOM 462 CZ ARG A 180 3.542 -8.249 2.560 1.00 0.00 C ATOM 463 NH1 ARG A 180 2.321 -7.775 2.767 1.00 0.00 N ATOM 464 NH2 ARG A 180 3.698 -9.448 1.999 1.00 0.00 N ATOM 0 H ARG A 180 3.829 -4.239 -0.778 1.00 0.00 H new ATOM 0 HA ARG A 180 5.557 -3.001 1.125 1.00 0.00 H new ATOM 0 HB2 ARG A 180 3.651 -4.527 1.641 1.00 0.00 H new ATOM 0 HB3 ARG A 180 4.557 -5.853 0.941 1.00 0.00 H new ATOM 0 HG2 ARG A 180 6.358 -5.474 2.651 1.00 0.00 H new ATOM 0 HG3 ARG A 180 5.365 -4.227 3.379 1.00 0.00 H new ATOM 0 HD2 ARG A 180 5.006 -6.302 4.591 1.00 0.00 H new ATOM 0 HD3 ARG A 180 3.537 -5.902 3.722 1.00 0.00 H new ATOM 0 HE ARG A 180 5.531 -7.921 2.724 1.00 0.00 H new ATOM 0 HH11 ARG A 180 2.196 -6.862 3.204 1.00 0.00 H new ATOM 0 HH12 ARG A 180 1.507 -8.323 2.489 1.00 0.00 H new ATOM 0 HH21 ARG A 180 4.635 -9.821 1.846 1.00 0.00 H new ATOM 0 HH22 ARG A 180 2.881 -9.992 1.723 1.00 0.00 H new ATOM 478 N GLN A 181 6.692 -5.468 -0.782 1.00 0.00 N ATOM 479 CA GLN A 181 7.920 -6.082 -1.263 1.00 0.00 C ATOM 480 C GLN A 181 8.752 -5.093 -2.049 1.00 0.00 C ATOM 481 O GLN A 181 9.972 -5.181 -2.103 1.00 0.00 O ATOM 482 CB GLN A 181 7.651 -7.417 -2.006 1.00 0.00 C ATOM 483 CG GLN A 181 6.886 -7.412 -3.358 1.00 0.00 C ATOM 484 CD GLN A 181 7.716 -6.989 -4.573 1.00 0.00 C ATOM 485 OE1 GLN A 181 8.404 -7.810 -5.178 1.00 0.00 O ATOM 486 NE2 GLN A 181 7.569 -5.770 -5.018 1.00 0.00 N ATOM 0 H GLN A 181 5.838 -5.835 -1.201 1.00 0.00 H new ATOM 0 HA GLN A 181 8.524 -6.360 -0.400 1.00 0.00 H new ATOM 0 HB2 GLN A 181 8.617 -7.891 -2.182 1.00 0.00 H new ATOM 0 HB3 GLN A 181 7.099 -8.063 -1.323 1.00 0.00 H new ATOM 0 HG2 GLN A 181 6.491 -8.412 -3.538 1.00 0.00 H new ATOM 0 HG3 GLN A 181 6.030 -6.742 -3.271 1.00 0.00 H new ATOM 0 HE21 GLN A 181 6.994 -5.104 -4.501 1.00 0.00 H new ATOM 0 HE22 GLN A 181 8.029 -5.484 -5.882 1.00 0.00 H new ATOM 495 N TYR A 182 8.070 -4.125 -2.601 1.00 0.00 N ATOM 496 CA TYR A 182 8.684 -3.043 -3.348 1.00 0.00 C ATOM 497 C TYR A 182 9.452 -2.134 -2.380 1.00 0.00 C ATOM 498 O TYR A 182 10.634 -1.864 -2.578 1.00 0.00 O ATOM 499 CB TYR A 182 7.591 -2.267 -4.109 1.00 0.00 C ATOM 500 CG TYR A 182 8.075 -1.166 -5.021 1.00 0.00 C ATOM 501 CD1 TYR A 182 8.551 -1.450 -6.297 1.00 0.00 C ATOM 502 CD2 TYR A 182 8.037 0.161 -4.618 1.00 0.00 C ATOM 503 CE1 TYR A 182 8.979 -0.440 -7.139 1.00 0.00 C ATOM 504 CE2 TYR A 182 8.461 1.169 -5.450 1.00 0.00 C ATOM 505 CZ TYR A 182 8.931 0.870 -6.709 1.00 0.00 C ATOM 506 OH TYR A 182 9.365 1.889 -7.541 1.00 0.00 O ATOM 0 H TYR A 182 7.054 -4.059 -2.547 1.00 0.00 H new ATOM 0 HA TYR A 182 9.391 -3.435 -4.078 1.00 0.00 H new ATOM 0 HB2 TYR A 182 7.016 -2.977 -4.703 1.00 0.00 H new ATOM 0 HB3 TYR A 182 6.907 -1.833 -3.380 1.00 0.00 H new ATOM 0 HD1 TYR A 182 8.587 -2.475 -6.635 1.00 0.00 H new ATOM 0 HD2 TYR A 182 7.668 0.406 -3.633 1.00 0.00 H new ATOM 0 HE1 TYR A 182 9.348 -0.675 -8.126 1.00 0.00 H new ATOM 0 HE2 TYR A 182 8.426 2.196 -5.116 1.00 0.00 H new ATOM 0 HH TYR A 182 9.054 2.751 -7.192 1.00 0.00 H new ATOM 516 N ALA A 183 8.783 -1.726 -1.308 1.00 0.00 N ATOM 517 CA ALA A 183 9.380 -0.863 -0.283 1.00 0.00 C ATOM 518 C ALA A 183 10.437 -1.622 0.532 1.00 0.00 C ATOM 519 O ALA A 183 11.330 -1.024 1.143 1.00 0.00 O ATOM 520 CB ALA A 183 8.290 -0.323 0.630 1.00 0.00 C ATOM 0 H ALA A 183 7.813 -1.981 -1.121 1.00 0.00 H new ATOM 0 HA ALA A 183 9.878 -0.030 -0.778 1.00 0.00 H new ATOM 0 HB1 ALA A 183 8.737 0.318 1.390 1.00 0.00 H new ATOM 0 HB2 ALA A 183 7.576 0.254 0.042 1.00 0.00 H new ATOM 0 HB3 ALA A 183 7.775 -1.154 1.112 1.00 0.00 H new ATOM 526 N GLU A 184 10.298 -2.929 0.561 1.00 0.00 N ATOM 527 CA GLU A 184 11.232 -3.821 1.215 1.00 0.00 C ATOM 528 C GLU A 184 12.577 -3.786 0.506 1.00 0.00 C ATOM 529 O GLU A 184 13.594 -3.392 1.097 1.00 0.00 O ATOM 530 CB GLU A 184 10.611 -5.252 1.271 1.00 0.00 C ATOM 531 CG GLU A 184 11.500 -6.412 1.754 1.00 0.00 C ATOM 532 CD GLU A 184 12.421 -6.953 0.670 1.00 0.00 C ATOM 533 OE1 GLU A 184 11.916 -7.534 -0.317 1.00 0.00 O ATOM 534 OE2 GLU A 184 13.633 -6.786 0.762 1.00 0.00 O ATOM 0 H GLU A 184 9.515 -3.413 0.121 1.00 0.00 H new ATOM 0 HA GLU A 184 11.416 -3.499 2.240 1.00 0.00 H new ATOM 0 HB2 GLU A 184 9.736 -5.210 1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 184 10.254 -5.500 0.271 1.00 0.00 H new ATOM 0 HG2 GLU A 184 12.102 -6.073 2.597 1.00 0.00 H new ATOM 0 HG3 GLU A 184 10.866 -7.220 2.119 1.00 0.00 H new ATOM 541 N LYS A 185 12.575 -4.122 -0.765 1.00 0.00 N ATOM 542 CA LYS A 185 13.814 -4.218 -1.501 1.00 0.00 C ATOM 543 C LYS A 185 14.361 -2.851 -1.894 1.00 0.00 C ATOM 544 O LYS A 185 15.580 -2.678 -2.044 1.00 0.00 O ATOM 545 CB LYS A 185 13.695 -5.198 -2.677 1.00 0.00 C ATOM 546 CG LYS A 185 12.623 -4.867 -3.700 1.00 0.00 C ATOM 547 CD LYS A 185 12.384 -6.018 -4.690 1.00 0.00 C ATOM 548 CE LYS A 185 11.512 -7.178 -4.120 1.00 0.00 C ATOM 549 NZ LYS A 185 12.086 -7.902 -2.945 1.00 0.00 N ATOM 0 H LYS A 185 11.736 -4.332 -1.306 1.00 0.00 H new ATOM 0 HA LYS A 185 14.564 -4.641 -0.832 1.00 0.00 H new ATOM 0 HB2 LYS A 185 14.657 -5.244 -3.187 1.00 0.00 H new ATOM 0 HB3 LYS A 185 13.497 -6.193 -2.279 1.00 0.00 H new ATOM 0 HG2 LYS A 185 11.691 -4.635 -3.184 1.00 0.00 H new ATOM 0 HG3 LYS A 185 12.913 -3.972 -4.250 1.00 0.00 H new ATOM 0 HD2 LYS A 185 11.902 -5.620 -5.583 1.00 0.00 H new ATOM 0 HD3 LYS A 185 13.348 -6.421 -5.001 1.00 0.00 H new ATOM 0 HE2 LYS A 185 10.541 -6.772 -3.835 1.00 0.00 H new ATOM 0 HE3 LYS A 185 11.334 -7.900 -4.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 11.630 -8.832 -2.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 13.109 -8.030 -3.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 11.919 -7.348 -2.081 1.00 0.00 H new ATOM 563 N LYS A 186 13.491 -1.859 -2.019 1.00 0.00 N ATOM 564 CA LYS A 186 13.966 -0.526 -2.274 1.00 0.00 C ATOM 565 C LYS A 186 14.350 0.166 -0.996 1.00 0.00 C ATOM 566 O LYS A 186 13.578 0.925 -0.426 1.00 0.00 O ATOM 567 CB LYS A 186 13.009 0.357 -3.083 1.00 0.00 C ATOM 568 CG LYS A 186 12.812 -0.082 -4.515 1.00 0.00 C ATOM 569 CD LYS A 186 12.016 0.939 -5.326 1.00 0.00 C ATOM 570 CE LYS A 186 12.742 2.275 -5.457 1.00 0.00 C ATOM 571 NZ LYS A 186 12.027 3.211 -6.352 1.00 0.00 N ATOM 0 H LYS A 186 12.478 -1.956 -1.949 1.00 0.00 H new ATOM 0 HA LYS A 186 14.846 -0.664 -2.903 1.00 0.00 H new ATOM 0 HB2 LYS A 186 12.040 0.373 -2.584 1.00 0.00 H new ATOM 0 HB3 LYS A 186 13.386 1.380 -3.078 1.00 0.00 H new ATOM 0 HG2 LYS A 186 13.784 -0.237 -4.983 1.00 0.00 H new ATOM 0 HG3 LYS A 186 12.294 -1.041 -4.532 1.00 0.00 H new ATOM 0 HD2 LYS A 186 11.821 0.536 -6.320 1.00 0.00 H new ATOM 0 HD3 LYS A 186 11.048 1.100 -4.852 1.00 0.00 H new ATOM 0 HE2 LYS A 186 12.849 2.727 -4.471 1.00 0.00 H new ATOM 0 HE3 LYS A 186 13.748 2.104 -5.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 12.642 3.466 -7.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 11.164 2.756 -6.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 11.772 4.070 -5.824 1.00 0.00 H new ATOM 585 N ALA A 187 15.529 -0.151 -0.514 1.00 0.00 N ATOM 586 CA ALA A 187 16.095 0.534 0.636 1.00 0.00 C ATOM 587 C ALA A 187 16.584 1.899 0.189 1.00 0.00 C ATOM 588 O ALA A 187 16.786 2.816 0.990 1.00 0.00 O ATOM 589 CB ALA A 187 17.235 -0.275 1.233 1.00 0.00 C ATOM 0 H ALA A 187 16.123 -0.885 -0.901 1.00 0.00 H new ATOM 0 HA ALA A 187 15.334 0.650 1.408 1.00 0.00 H new ATOM 0 HB1 ALA A 187 17.646 0.254 2.093 1.00 0.00 H new ATOM 0 HB2 ALA A 187 16.863 -1.249 1.551 1.00 0.00 H new ATOM 0 HB3 ALA A 187 18.015 -0.411 0.484 1.00 0.00 H new ATOM 595 N LYS A 188 16.759 2.018 -1.109 1.00 0.00 N ATOM 596 CA LYS A 188 17.182 3.237 -1.728 1.00 0.00 C ATOM 597 C LYS A 188 16.742 3.280 -3.193 1.00 0.00 C ATOM 598 O LYS A 188 15.985 4.156 -3.583 1.00 0.00 O ATOM 599 CB LYS A 188 18.707 3.466 -1.549 1.00 0.00 C ATOM 600 CG LYS A 188 19.609 2.319 -2.001 1.00 0.00 C ATOM 601 CD LYS A 188 21.058 2.597 -1.639 1.00 0.00 C ATOM 602 CE LYS A 188 21.964 1.445 -2.037 1.00 0.00 C ATOM 603 NZ LYS A 188 23.348 1.639 -1.564 1.00 0.00 N ATOM 0 H LYS A 188 16.607 1.254 -1.767 1.00 0.00 H new ATOM 0 HA LYS A 188 16.691 4.069 -1.224 1.00 0.00 H new ATOM 0 HB2 LYS A 188 18.988 4.363 -2.101 1.00 0.00 H new ATOM 0 HB3 LYS A 188 18.904 3.665 -0.496 1.00 0.00 H new ATOM 0 HG2 LYS A 188 19.285 1.389 -1.533 1.00 0.00 H new ATOM 0 HG3 LYS A 188 19.519 2.182 -3.079 1.00 0.00 H new ATOM 0 HD2 LYS A 188 21.389 3.509 -2.135 1.00 0.00 H new ATOM 0 HD3 LYS A 188 21.139 2.770 -0.566 1.00 0.00 H new ATOM 0 HE2 LYS A 188 21.568 0.515 -1.628 1.00 0.00 H new ATOM 0 HE3 LYS A 188 21.963 1.342 -3.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 23.932 0.830 -1.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 23.736 2.513 -1.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 23.353 1.712 -0.527 1.00 0.00 H new ATOM 617 N LYS A 189 17.161 2.297 -3.989 1.00 0.00 N ATOM 618 CA LYS A 189 16.849 2.301 -5.428 1.00 0.00 C ATOM 619 C LYS A 189 16.472 0.916 -6.002 1.00 0.00 C ATOM 620 O LYS A 189 15.397 0.795 -6.573 1.00 0.00 O ATOM 621 CB LYS A 189 17.991 2.933 -6.254 1.00 0.00 C ATOM 622 CG LYS A 189 18.219 4.407 -5.976 1.00 0.00 C ATOM 623 CD LYS A 189 19.453 4.952 -6.673 1.00 0.00 C ATOM 624 CE LYS A 189 20.716 4.248 -6.194 1.00 0.00 C ATOM 625 NZ LYS A 189 21.944 4.865 -6.731 1.00 0.00 N ATOM 0 H LYS A 189 17.709 1.497 -3.674 1.00 0.00 H new ATOM 0 HA LYS A 189 15.956 2.919 -5.518 1.00 0.00 H new ATOM 0 HB2 LYS A 189 18.914 2.390 -6.052 1.00 0.00 H new ATOM 0 HB3 LYS A 189 17.771 2.805 -7.314 1.00 0.00 H new ATOM 0 HG2 LYS A 189 17.345 4.973 -6.299 1.00 0.00 H new ATOM 0 HG3 LYS A 189 18.317 4.559 -4.901 1.00 0.00 H new ATOM 0 HD2 LYS A 189 19.350 4.825 -7.751 1.00 0.00 H new ATOM 0 HD3 LYS A 189 19.537 6.022 -6.484 1.00 0.00 H new ATOM 0 HE2 LYS A 189 20.749 4.269 -5.105 1.00 0.00 H new ATOM 0 HE3 LYS A 189 20.679 3.200 -6.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 22.775 4.350 -6.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 21.928 4.822 -7.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 21.996 5.858 -6.426 1.00 0.00 H new ATOM 639 N PRO A 190 17.328 -0.154 -5.855 1.00 0.00 N ATOM 640 CA PRO A 190 17.076 -1.465 -6.504 1.00 0.00 C ATOM 641 C PRO A 190 15.712 -2.077 -6.212 1.00 0.00 C ATOM 642 O PRO A 190 15.314 -2.244 -5.060 1.00 0.00 O ATOM 643 CB PRO A 190 18.176 -2.366 -5.953 1.00 0.00 C ATOM 644 CG PRO A 190 19.264 -1.432 -5.619 1.00 0.00 C ATOM 645 CD PRO A 190 18.589 -0.209 -5.081 1.00 0.00 C ATOM 0 HA PRO A 190 17.081 -1.345 -7.587 1.00 0.00 H new ATOM 0 HB2 PRO A 190 17.839 -2.917 -5.075 1.00 0.00 H new ATOM 0 HB3 PRO A 190 18.495 -3.104 -6.689 1.00 0.00 H new ATOM 0 HG2 PRO A 190 19.940 -1.864 -4.881 1.00 0.00 H new ATOM 0 HG3 PRO A 190 19.862 -1.195 -6.499 1.00 0.00 H new ATOM 0 HD2 PRO A 190 18.402 -0.290 -4.010 1.00 0.00 H new ATOM 0 HD3 PRO A 190 19.194 0.685 -5.232 1.00 0.00 H new ATOM 653 N ALA A 191 15.016 -2.395 -7.266 1.00 0.00 N ATOM 654 CA ALA A 191 13.759 -3.065 -7.202 1.00 0.00 C ATOM 655 C ALA A 191 13.788 -4.181 -8.203 1.00 0.00 C ATOM 656 O ALA A 191 13.459 -3.993 -9.374 1.00 0.00 O ATOM 657 CB ALA A 191 12.596 -2.125 -7.471 1.00 0.00 C ATOM 0 H ALA A 191 15.320 -2.187 -8.217 1.00 0.00 H new ATOM 0 HA ALA A 191 13.606 -3.455 -6.196 1.00 0.00 H new ATOM 0 HB1 ALA A 191 11.659 -2.679 -7.412 1.00 0.00 H new ATOM 0 HB2 ALA A 191 12.593 -1.327 -6.728 1.00 0.00 H new ATOM 0 HB3 ALA A 191 12.700 -1.693 -8.466 1.00 0.00 H new ATOM 663 N LEU A 192 14.274 -5.300 -7.771 1.00 0.00 N ATOM 664 CA LEU A 192 14.393 -6.461 -8.590 1.00 0.00 C ATOM 665 C LEU A 192 14.112 -7.656 -7.731 1.00 0.00 C ATOM 666 O LEU A 192 13.040 -8.277 -7.886 1.00 0.00 O ATOM 667 CB LEU A 192 15.803 -6.552 -9.195 1.00 0.00 C ATOM 668 CG LEU A 192 16.071 -7.749 -10.116 1.00 0.00 C ATOM 669 CD1 LEU A 192 15.169 -7.713 -11.345 1.00 0.00 C ATOM 670 CD2 LEU A 192 17.534 -7.787 -10.520 1.00 0.00 C ATOM 671 OXT LEU A 192 14.926 -7.937 -6.832 1.00 0.00 O ATOM 0 H LEU A 192 14.607 -5.434 -6.816 1.00 0.00 H new ATOM 0 HA LEU A 192 13.684 -6.414 -9.417 1.00 0.00 H new ATOM 0 HB2 LEU A 192 15.994 -5.638 -9.757 1.00 0.00 H new ATOM 0 HB3 LEU A 192 16.525 -6.580 -8.379 1.00 0.00 H new ATOM 0 HG LEU A 192 15.840 -8.660 -9.564 1.00 0.00 H new ATOM 0 HD11 LEU A 192 15.383 -8.574 -11.978 1.00 0.00 H new ATOM 0 HD12 LEU A 192 14.125 -7.743 -11.031 1.00 0.00 H new ATOM 0 HD13 LEU A 192 15.353 -6.796 -11.905 1.00 0.00 H new ATOM 0 HD21 LEU A 192 17.709 -8.642 -11.173 1.00 0.00 H new ATOM 0 HD22 LEU A 192 17.790 -6.868 -11.048 1.00 0.00 H new ATOM 0 HD23 LEU A 192 18.155 -7.878 -9.629 1.00 0.00 H new TER 683 LEU A 192