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 30:sc= 1.02 USER MOD Set 1.2: A 186 LYS NZ :NH3+ -175:sc= 1.35 (180deg=0) USER MOD Single : A 152 SER OG : rot 61:sc= 1.06 USER MOD Single : A 162 SER OG : rot 120:sc= -0.621 USER MOD Single : A 164 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 173 GLN : amide:sc= -0.0188 K(o=-0.019,f=-1.7!) USER MOD Single : A 181 GLN : amide:sc= 0.689 K(o=0.69,f=-0.16) USER MOD Single : A 185 LYS NZ :NH3+ 162:sc= 1.25 (180deg=1.02) 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 2.112 6.569 -7.648 1.00 0.00 N ATOM 2 CA GLY A 149 1.844 7.681 -8.563 1.00 0.00 C ATOM 3 C GLY A 149 3.120 8.394 -8.929 1.00 0.00 C ATOM 4 O GLY A 149 4.186 7.779 -8.872 1.00 0.00 O ATOM 0 HA2 GLY A 149 1.360 7.307 -9.465 1.00 0.00 H new ATOM 0 HA3 GLY A 149 1.151 8.382 -8.097 1.00 0.00 H new ATOM 10 N PRO A 150 3.063 9.687 -9.304 1.00 0.00 N ATOM 11 CA PRO A 150 4.243 10.449 -9.707 1.00 0.00 C ATOM 12 C PRO A 150 5.130 10.855 -8.512 1.00 0.00 C ATOM 13 O PRO A 150 6.142 10.192 -8.229 1.00 0.00 O ATOM 14 CB PRO A 150 3.673 11.685 -10.433 1.00 0.00 C ATOM 15 CG PRO A 150 2.186 11.475 -10.482 1.00 0.00 C ATOM 16 CD PRO A 150 1.854 10.506 -9.383 1.00 0.00 C ATOM 0 HA PRO A 150 4.901 9.855 -10.341 1.00 0.00 H new ATOM 0 HB2 PRO A 150 3.922 12.602 -9.899 1.00 0.00 H new ATOM 0 HB3 PRO A 150 4.089 11.777 -11.436 1.00 0.00 H new ATOM 0 HG2 PRO A 150 1.657 12.417 -10.341 1.00 0.00 H new ATOM 0 HG3 PRO A 150 1.882 11.081 -11.452 1.00 0.00 H new ATOM 0 HD2 PRO A 150 1.647 11.016 -8.442 1.00 0.00 H new ATOM 0 HD3 PRO A 150 0.974 9.908 -9.622 1.00 0.00 H new ATOM 24 N GLY A 151 4.749 11.903 -7.794 1.00 0.00 N ATOM 25 CA GLY A 151 5.527 12.315 -6.648 1.00 0.00 C ATOM 26 C GLY A 151 4.663 12.910 -5.570 1.00 0.00 C ATOM 27 O GLY A 151 4.042 12.187 -4.789 1.00 0.00 O ATOM 0 H GLY A 151 3.922 12.469 -7.984 1.00 0.00 H new ATOM 0 HA2 GLY A 151 6.067 11.457 -6.248 1.00 0.00 H new ATOM 0 HA3 GLY A 151 6.274 13.045 -6.959 1.00 0.00 H new ATOM 31 N SER A 152 4.558 14.222 -5.570 1.00 0.00 N ATOM 32 CA SER A 152 3.773 14.956 -4.587 1.00 0.00 C ATOM 33 C SER A 152 2.274 14.635 -4.697 1.00 0.00 C ATOM 34 O SER A 152 1.507 14.794 -3.758 1.00 0.00 O ATOM 35 CB SER A 152 4.055 16.448 -4.774 1.00 0.00 C ATOM 36 OG SER A 152 4.217 16.764 -6.172 1.00 0.00 O ATOM 0 H SER A 152 5.018 14.819 -6.257 1.00 0.00 H new ATOM 0 HA SER A 152 4.065 14.652 -3.582 1.00 0.00 H new ATOM 0 HB2 SER A 152 3.236 17.033 -4.356 1.00 0.00 H new ATOM 0 HB3 SER A 152 4.956 16.724 -4.227 1.00 0.00 H new ATOM 0 HG SER A 152 3.392 16.546 -6.654 1.00 0.00 H new ATOM 42 N GLU A 153 1.895 14.125 -5.829 1.00 0.00 N ATOM 43 CA GLU A 153 0.528 13.779 -6.125 1.00 0.00 C ATOM 44 C GLU A 153 0.193 12.442 -5.475 1.00 0.00 C ATOM 45 O GLU A 153 -0.952 11.994 -5.490 1.00 0.00 O ATOM 46 CB GLU A 153 0.307 13.667 -7.656 1.00 0.00 C ATOM 47 CG GLU A 153 0.748 14.879 -8.508 1.00 0.00 C ATOM 48 CD GLU A 153 2.239 15.143 -8.438 1.00 0.00 C ATOM 49 OE1 GLU A 153 3.028 14.166 -8.365 1.00 0.00 O ATOM 50 OE2 GLU A 153 2.643 16.313 -8.327 1.00 0.00 O ATOM 0 H GLU A 153 2.540 13.931 -6.595 1.00 0.00 H new ATOM 0 HA GLU A 153 -0.120 14.563 -5.733 1.00 0.00 H new ATOM 0 HB2 GLU A 153 0.840 12.786 -8.014 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -0.754 13.492 -7.835 1.00 0.00 H new ATOM 0 HG2 GLU A 153 0.463 14.709 -9.546 1.00 0.00 H new ATOM 0 HG3 GLU A 153 0.212 15.766 -8.172 1.00 0.00 H new ATOM 57 N ASP A 154 1.207 11.796 -4.938 1.00 0.00 N ATOM 58 CA ASP A 154 1.039 10.501 -4.320 1.00 0.00 C ATOM 59 C ASP A 154 1.084 10.619 -2.801 1.00 0.00 C ATOM 60 O ASP A 154 0.149 10.200 -2.113 1.00 0.00 O ATOM 61 CB ASP A 154 2.123 9.525 -4.805 1.00 0.00 C ATOM 62 CG ASP A 154 1.913 8.102 -4.315 1.00 0.00 C ATOM 63 OD1 ASP A 154 2.187 7.804 -3.143 1.00 0.00 O ATOM 64 OD2 ASP A 154 1.451 7.252 -5.112 1.00 0.00 O ATOM 0 H ASP A 154 2.163 12.152 -4.918 1.00 0.00 H new ATOM 0 HA ASP A 154 0.063 10.112 -4.610 1.00 0.00 H new ATOM 0 HB2 ASP A 154 2.143 9.527 -5.895 1.00 0.00 H new ATOM 0 HB3 ASP A 154 3.097 9.878 -4.467 1.00 0.00 H new ATOM 69 N ASP A 155 2.153 11.202 -2.270 1.00 0.00 N ATOM 70 CA ASP A 155 2.299 11.267 -0.811 1.00 0.00 C ATOM 71 C ASP A 155 1.717 12.547 -0.204 1.00 0.00 C ATOM 72 O ASP A 155 1.181 12.514 0.911 1.00 0.00 O ATOM 73 CB ASP A 155 3.762 11.074 -0.349 1.00 0.00 C ATOM 74 CG ASP A 155 4.666 12.256 -0.641 1.00 0.00 C ATOM 75 OD1 ASP A 155 5.279 12.299 -1.710 1.00 0.00 O ATOM 76 OD2 ASP A 155 4.799 13.147 0.224 1.00 0.00 O ATOM 0 H ASP A 155 2.912 11.626 -2.803 1.00 0.00 H new ATOM 0 HA ASP A 155 1.712 10.429 -0.435 1.00 0.00 H new ATOM 0 HB2 ASP A 155 3.770 10.881 0.724 1.00 0.00 H new ATOM 0 HB3 ASP A 155 4.171 10.189 -0.836 1.00 0.00 H new ATOM 81 N ASP A 156 1.816 13.665 -0.912 1.00 0.00 N ATOM 82 CA ASP A 156 1.303 14.939 -0.387 1.00 0.00 C ATOM 83 C ASP A 156 -0.191 14.990 -0.537 1.00 0.00 C ATOM 84 O ASP A 156 -0.917 15.181 0.442 1.00 0.00 O ATOM 85 CB ASP A 156 1.939 16.150 -1.084 1.00 0.00 C ATOM 86 CG ASP A 156 1.403 17.481 -0.567 1.00 0.00 C ATOM 87 OD1 ASP A 156 0.348 17.954 -1.051 1.00 0.00 O ATOM 88 OD2 ASP A 156 2.040 18.084 0.324 1.00 0.00 O ATOM 0 H ASP A 156 2.239 13.724 -1.838 1.00 0.00 H new ATOM 0 HA ASP A 156 1.571 14.990 0.668 1.00 0.00 H new ATOM 0 HB2 ASP A 156 3.019 16.119 -0.941 1.00 0.00 H new ATOM 0 HB3 ASP A 156 1.757 16.083 -2.157 1.00 0.00 H new ATOM 93 N ILE A 157 -0.650 14.799 -1.755 1.00 0.00 N ATOM 94 CA ILE A 157 -2.063 14.792 -2.031 1.00 0.00 C ATOM 95 C ILE A 157 -2.693 13.549 -1.434 1.00 0.00 C ATOM 96 O ILE A 157 -2.283 12.422 -1.731 1.00 0.00 O ATOM 97 CB ILE A 157 -2.378 14.864 -3.554 1.00 0.00 C ATOM 98 CG1 ILE A 157 -1.805 16.156 -4.156 1.00 0.00 C ATOM 99 CG2 ILE A 157 -3.889 14.775 -3.805 1.00 0.00 C ATOM 100 CD1 ILE A 157 -2.116 16.351 -5.627 1.00 0.00 C ATOM 0 H ILE A 157 -0.058 14.646 -2.572 1.00 0.00 H new ATOM 0 HA ILE A 157 -2.486 15.687 -1.574 1.00 0.00 H new ATOM 0 HB ILE A 157 -1.905 14.012 -4.043 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -2.196 17.007 -3.598 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -0.723 16.157 -4.022 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -4.084 14.828 -4.876 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -4.268 13.831 -3.413 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -4.390 15.603 -3.304 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -1.675 17.286 -5.971 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -1.701 15.522 -6.200 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -3.196 16.385 -5.769 1.00 0.00 H new ATOM 112 N ASP A 158 -3.632 13.751 -0.564 1.00 0.00 N ATOM 113 CA ASP A 158 -4.338 12.666 0.034 1.00 0.00 C ATOM 114 C ASP A 158 -5.466 12.268 -0.867 1.00 0.00 C ATOM 115 O ASP A 158 -6.272 13.099 -1.292 1.00 0.00 O ATOM 116 CB ASP A 158 -4.837 13.004 1.457 1.00 0.00 C ATOM 117 CG ASP A 158 -5.785 14.188 1.537 1.00 0.00 C ATOM 118 OD1 ASP A 158 -5.314 15.351 1.477 1.00 0.00 O ATOM 119 OD2 ASP A 158 -7.017 13.984 1.687 1.00 0.00 O ATOM 0 H ASP A 158 -3.930 14.674 -0.249 1.00 0.00 H new ATOM 0 HA ASP A 158 -3.654 11.826 0.152 1.00 0.00 H new ATOM 0 HB2 ASP A 158 -5.338 12.128 1.869 1.00 0.00 H new ATOM 0 HB3 ASP A 158 -3.973 13.205 2.091 1.00 0.00 H new ATOM 124 N LEU A 159 -5.495 11.024 -1.220 1.00 0.00 N ATOM 125 CA LEU A 159 -6.531 10.523 -2.061 1.00 0.00 C ATOM 126 C LEU A 159 -7.672 10.103 -1.142 1.00 0.00 C ATOM 127 O LEU A 159 -8.837 10.354 -1.438 1.00 0.00 O ATOM 128 CB LEU A 159 -5.986 9.359 -2.928 1.00 0.00 C ATOM 129 CG LEU A 159 -6.771 8.982 -4.211 1.00 0.00 C ATOM 130 CD1 LEU A 159 -5.963 8.008 -5.053 1.00 0.00 C ATOM 131 CD2 LEU A 159 -8.129 8.375 -3.896 1.00 0.00 C ATOM 0 H LEU A 159 -4.804 10.330 -0.935 1.00 0.00 H new ATOM 0 HA LEU A 159 -6.897 11.271 -2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -4.966 9.609 -3.221 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -5.928 8.471 -2.298 1.00 0.00 H new ATOM 0 HG LEU A 159 -6.938 9.904 -4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.525 7.751 -5.951 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.017 8.470 -5.336 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.767 7.104 -4.476 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -8.641 8.127 -4.826 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -7.994 7.470 -3.304 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -8.726 9.092 -3.333 1.00 0.00 H new ATOM 143 N PHE A 160 -7.286 9.532 0.002 1.00 0.00 N ATOM 144 CA PHE A 160 -8.184 9.109 1.081 1.00 0.00 C ATOM 145 C PHE A 160 -9.233 8.096 0.619 1.00 0.00 C ATOM 146 O PHE A 160 -10.238 8.443 -0.027 1.00 0.00 O ATOM 147 CB PHE A 160 -8.829 10.318 1.802 1.00 0.00 C ATOM 148 CG PHE A 160 -9.616 9.957 3.044 1.00 0.00 C ATOM 149 CD1 PHE A 160 -8.968 9.719 4.242 1.00 0.00 C ATOM 150 CD2 PHE A 160 -10.995 9.863 3.009 1.00 0.00 C ATOM 151 CE1 PHE A 160 -9.679 9.397 5.380 1.00 0.00 C ATOM 152 CE2 PHE A 160 -11.713 9.541 4.141 1.00 0.00 C ATOM 153 CZ PHE A 160 -11.053 9.306 5.328 1.00 0.00 C ATOM 0 H PHE A 160 -6.305 9.345 0.210 1.00 0.00 H new ATOM 0 HA PHE A 160 -7.560 8.591 1.810 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -8.044 11.023 2.076 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -9.490 10.832 1.104 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -7.891 9.786 4.288 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -11.517 10.044 2.081 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -9.160 9.217 6.310 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -12.790 9.473 4.098 1.00 0.00 H new ATOM 0 HZ PHE A 160 -11.612 9.051 6.216 1.00 0.00 H new ATOM 163 N GLY A 161 -9.000 6.860 0.947 1.00 0.00 N ATOM 164 CA GLY A 161 -9.931 5.816 0.587 1.00 0.00 C ATOM 165 C GLY A 161 -9.276 4.765 -0.260 1.00 0.00 C ATOM 166 O GLY A 161 -9.846 3.711 -0.524 1.00 0.00 O ATOM 0 H GLY A 161 -8.178 6.544 1.462 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -10.333 5.358 1.491 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -10.773 6.248 0.046 1.00 0.00 H new ATOM 170 N SER A 162 -8.079 5.050 -0.678 1.00 0.00 N ATOM 171 CA SER A 162 -7.287 4.143 -1.466 1.00 0.00 C ATOM 172 C SER A 162 -6.110 3.692 -0.622 1.00 0.00 C ATOM 173 O SER A 162 -5.057 3.263 -1.126 1.00 0.00 O ATOM 174 CB SER A 162 -6.802 4.899 -2.686 1.00 0.00 C ATOM 175 OG SER A 162 -6.197 6.124 -2.284 1.00 0.00 O ATOM 0 H SER A 162 -7.613 5.935 -0.479 1.00 0.00 H new ATOM 0 HA SER A 162 -7.860 3.270 -1.779 1.00 0.00 H new ATOM 0 HB2 SER A 162 -6.085 4.293 -3.240 1.00 0.00 H new ATOM 0 HB3 SER A 162 -7.637 5.098 -3.358 1.00 0.00 H new ATOM 0 HG SER A 162 -5.262 6.139 -2.578 1.00 0.00 H new ATOM 181 N ASP A 163 -6.300 3.779 0.660 1.00 0.00 N ATOM 182 CA ASP A 163 -5.250 3.538 1.602 1.00 0.00 C ATOM 183 C ASP A 163 -5.398 2.161 2.188 1.00 0.00 C ATOM 184 O ASP A 163 -4.483 1.347 2.119 1.00 0.00 O ATOM 185 CB ASP A 163 -5.283 4.618 2.685 1.00 0.00 C ATOM 186 CG ASP A 163 -5.317 6.016 2.081 1.00 0.00 C ATOM 187 OD1 ASP A 163 -4.261 6.529 1.643 1.00 0.00 O ATOM 188 OD2 ASP A 163 -6.425 6.620 2.012 1.00 0.00 O ATOM 0 H ASP A 163 -7.195 4.021 1.085 1.00 0.00 H new ATOM 0 HA ASP A 163 -4.282 3.585 1.104 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -6.159 4.473 3.318 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -4.407 4.519 3.326 1.00 0.00 H new ATOM 193 N ASN A 164 -6.563 1.888 2.729 1.00 0.00 N ATOM 194 CA ASN A 164 -6.857 0.579 3.290 1.00 0.00 C ATOM 195 C ASN A 164 -7.264 -0.363 2.168 1.00 0.00 C ATOM 196 O ASN A 164 -6.582 -1.349 1.895 1.00 0.00 O ATOM 197 CB ASN A 164 -7.985 0.658 4.341 1.00 0.00 C ATOM 198 CG ASN A 164 -8.281 -0.689 5.007 1.00 0.00 C ATOM 199 OD1 ASN A 164 -7.381 -1.516 5.207 1.00 0.00 O ATOM 200 ND2 ASN A 164 -9.518 -0.919 5.352 1.00 0.00 N ATOM 0 H ASN A 164 -7.331 2.556 2.795 1.00 0.00 H new ATOM 0 HA ASN A 164 -5.962 0.206 3.788 1.00 0.00 H new ATOM 0 HB2 ASN A 164 -7.709 1.383 5.107 1.00 0.00 H new ATOM 0 HB3 ASN A 164 -8.893 1.028 3.864 1.00 0.00 H new ATOM 0 HD21 ASN A 164 -9.767 -1.801 5.800 1.00 0.00 H new ATOM 0 HD22 ASN A 164 -10.236 -0.217 5.173 1.00 0.00 H new ATOM 207 N GLU A 165 -8.354 -0.034 1.500 1.00 0.00 N ATOM 208 CA GLU A 165 -8.856 -0.840 0.406 1.00 0.00 C ATOM 209 C GLU A 165 -9.462 0.041 -0.680 1.00 0.00 C ATOM 210 O GLU A 165 -10.470 0.703 -0.456 1.00 0.00 O ATOM 211 CB GLU A 165 -9.856 -1.911 0.901 1.00 0.00 C ATOM 212 CG GLU A 165 -10.996 -1.373 1.752 1.00 0.00 C ATOM 213 CD GLU A 165 -12.002 -2.433 2.118 1.00 0.00 C ATOM 214 OE1 GLU A 165 -11.779 -3.169 3.104 1.00 0.00 O ATOM 215 OE2 GLU A 165 -13.040 -2.538 1.439 1.00 0.00 O ATOM 0 H GLU A 165 -8.913 0.795 1.700 1.00 0.00 H new ATOM 0 HA GLU A 165 -8.013 -1.374 -0.032 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -10.277 -2.422 0.035 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -9.311 -2.658 1.478 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -10.588 -0.936 2.663 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -11.500 -0.572 1.212 1.00 0.00 H new ATOM 222 N GLU A 166 -8.824 0.087 -1.833 1.00 0.00 N ATOM 223 CA GLU A 166 -9.324 0.934 -2.906 1.00 0.00 C ATOM 224 C GLU A 166 -10.470 0.288 -3.717 1.00 0.00 C ATOM 225 O GLU A 166 -11.582 0.817 -3.751 1.00 0.00 O ATOM 226 CB GLU A 166 -8.160 1.385 -3.818 1.00 0.00 C ATOM 227 CG GLU A 166 -7.249 0.268 -4.329 1.00 0.00 C ATOM 228 CD GLU A 166 -6.127 0.794 -5.190 1.00 0.00 C ATOM 229 OE1 GLU A 166 -5.088 1.215 -4.653 1.00 0.00 O ATOM 230 OE2 GLU A 166 -6.265 0.808 -6.434 1.00 0.00 O ATOM 0 H GLU A 166 -7.977 -0.438 -2.052 1.00 0.00 H new ATOM 0 HA GLU A 166 -9.765 1.814 -2.437 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -8.578 1.910 -4.677 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -7.551 2.104 -3.270 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -6.830 -0.273 -3.481 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -7.840 -0.446 -4.902 1.00 0.00 H new ATOM 237 N GLU A 167 -10.226 -0.866 -4.311 1.00 0.00 N ATOM 238 CA GLU A 167 -11.266 -1.531 -5.080 1.00 0.00 C ATOM 239 C GLU A 167 -12.062 -2.472 -4.189 1.00 0.00 C ATOM 240 O GLU A 167 -13.285 -2.385 -4.094 1.00 0.00 O ATOM 241 CB GLU A 167 -10.687 -2.270 -6.294 1.00 0.00 C ATOM 242 CG GLU A 167 -11.746 -2.894 -7.198 1.00 0.00 C ATOM 243 CD GLU A 167 -11.164 -3.623 -8.378 1.00 0.00 C ATOM 244 OE1 GLU A 167 -10.748 -2.979 -9.342 1.00 0.00 O ATOM 245 OE2 GLU A 167 -11.108 -4.857 -8.368 1.00 0.00 O ATOM 0 H GLU A 167 -9.333 -1.357 -4.278 1.00 0.00 H new ATOM 0 HA GLU A 167 -11.942 -0.767 -5.464 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -10.088 -1.573 -6.880 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -10.014 -3.053 -5.944 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -12.351 -3.587 -6.613 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -12.415 -2.112 -7.557 1.00 0.00 H new ATOM 252 N ASP A 168 -11.346 -3.336 -3.518 1.00 0.00 N ATOM 253 CA ASP A 168 -11.908 -4.352 -2.646 1.00 0.00 C ATOM 254 C ASP A 168 -10.829 -4.683 -1.673 1.00 0.00 C ATOM 255 O ASP A 168 -9.696 -4.266 -1.901 1.00 0.00 O ATOM 256 CB ASP A 168 -12.286 -5.610 -3.455 1.00 0.00 C ATOM 257 CG ASP A 168 -13.080 -6.613 -2.646 1.00 0.00 C ATOM 258 OD1 ASP A 168 -12.486 -7.405 -1.899 1.00 0.00 O ATOM 259 OD2 ASP A 168 -14.323 -6.601 -2.738 1.00 0.00 O ATOM 0 H ASP A 168 -10.327 -3.359 -3.559 1.00 0.00 H new ATOM 0 HA ASP A 168 -12.813 -3.999 -2.153 1.00 0.00 H new ATOM 0 HB2 ASP A 168 -12.867 -5.313 -4.328 1.00 0.00 H new ATOM 0 HB3 ASP A 168 -11.377 -6.086 -3.823 1.00 0.00 H new ATOM 264 N LYS A 169 -11.122 -5.403 -0.621 1.00 0.00 N ATOM 265 CA LYS A 169 -10.104 -5.775 0.326 1.00 0.00 C ATOM 266 C LYS A 169 -9.141 -6.773 -0.302 1.00 0.00 C ATOM 267 O LYS A 169 -7.941 -6.697 -0.077 1.00 0.00 O ATOM 268 CB LYS A 169 -10.694 -6.302 1.636 1.00 0.00 C ATOM 269 CG LYS A 169 -9.633 -6.636 2.672 1.00 0.00 C ATOM 270 CD LYS A 169 -10.230 -6.978 4.021 1.00 0.00 C ATOM 271 CE LYS A 169 -9.126 -7.274 5.021 1.00 0.00 C ATOM 272 NZ LYS A 169 -9.644 -7.514 6.379 1.00 0.00 N ATOM 0 H LYS A 169 -12.058 -5.743 -0.399 1.00 0.00 H new ATOM 0 HA LYS A 169 -9.546 -4.876 0.586 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -11.374 -5.557 2.048 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -11.286 -7.194 1.429 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -9.036 -7.477 2.318 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -8.957 -5.788 2.782 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -10.841 -6.149 4.377 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -10.888 -7.842 3.928 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -8.565 -8.148 4.690 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -8.428 -6.437 5.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -8.852 -7.711 7.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -10.157 -6.672 6.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -10.290 -8.329 6.365 1.00 0.00 H new ATOM 286 N GLU A 170 -9.651 -7.663 -1.149 1.00 0.00 N ATOM 287 CA GLU A 170 -8.775 -8.602 -1.831 1.00 0.00 C ATOM 288 C GLU A 170 -7.980 -7.880 -2.915 1.00 0.00 C ATOM 289 O GLU A 170 -6.849 -8.251 -3.228 1.00 0.00 O ATOM 290 CB GLU A 170 -9.527 -9.804 -2.411 1.00 0.00 C ATOM 291 CG GLU A 170 -10.609 -9.457 -3.412 1.00 0.00 C ATOM 292 CD GLU A 170 -11.194 -10.677 -4.044 1.00 0.00 C ATOM 293 OE1 GLU A 170 -12.125 -11.270 -3.479 1.00 0.00 O ATOM 294 OE2 GLU A 170 -10.705 -11.093 -5.120 1.00 0.00 O ATOM 0 H GLU A 170 -10.642 -7.751 -1.374 1.00 0.00 H new ATOM 0 HA GLU A 170 -8.088 -9.003 -1.086 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -8.807 -10.467 -2.891 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -9.977 -10.363 -1.591 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -11.397 -8.893 -2.914 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -10.194 -8.811 -4.186 1.00 0.00 H new ATOM 301 N ALA A 171 -8.558 -6.805 -3.451 1.00 0.00 N ATOM 302 CA ALA A 171 -7.865 -6.026 -4.456 1.00 0.00 C ATOM 303 C ALA A 171 -6.797 -5.193 -3.776 1.00 0.00 C ATOM 304 O ALA A 171 -5.726 -4.964 -4.318 1.00 0.00 O ATOM 305 CB ALA A 171 -8.833 -5.144 -5.207 1.00 0.00 C ATOM 0 H ALA A 171 -9.488 -6.465 -3.207 1.00 0.00 H new ATOM 0 HA ALA A 171 -7.399 -6.695 -5.180 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -8.293 -4.567 -5.957 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -9.584 -5.763 -5.697 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -9.322 -4.464 -4.509 1.00 0.00 H new ATOM 311 N ALA A 172 -7.105 -4.773 -2.564 1.00 0.00 N ATOM 312 CA ALA A 172 -6.195 -4.021 -1.738 1.00 0.00 C ATOM 313 C ALA A 172 -5.035 -4.889 -1.385 1.00 0.00 C ATOM 314 O ALA A 172 -3.909 -4.492 -1.534 1.00 0.00 O ATOM 315 CB ALA A 172 -6.891 -3.580 -0.480 1.00 0.00 C ATOM 0 H ALA A 172 -8.008 -4.950 -2.124 1.00 0.00 H new ATOM 0 HA ALA A 172 -5.851 -3.141 -2.281 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -6.197 -3.012 0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -7.745 -2.953 -0.737 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -7.236 -4.455 0.071 1.00 0.00 H new ATOM 321 N GLN A 173 -5.359 -6.102 -0.958 1.00 0.00 N ATOM 322 CA GLN A 173 -4.411 -7.137 -0.587 1.00 0.00 C ATOM 323 C GLN A 173 -3.279 -7.264 -1.610 1.00 0.00 C ATOM 324 O GLN A 173 -2.116 -7.078 -1.268 1.00 0.00 O ATOM 325 CB GLN A 173 -5.176 -8.457 -0.457 1.00 0.00 C ATOM 326 CG GLN A 173 -4.333 -9.694 -0.245 1.00 0.00 C ATOM 327 CD GLN A 173 -5.179 -10.949 -0.274 1.00 0.00 C ATOM 328 OE1 GLN A 173 -6.227 -10.992 -0.921 1.00 0.00 O ATOM 329 NE2 GLN A 173 -4.732 -11.975 0.358 1.00 0.00 N ATOM 0 H GLN A 173 -6.329 -6.401 -0.858 1.00 0.00 H new ATOM 0 HA GLN A 173 -3.943 -6.874 0.362 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -5.873 -8.369 0.376 1.00 0.00 H new ATOM 0 HB3 GLN A 173 -5.773 -8.598 -1.358 1.00 0.00 H new ATOM 0 HG2 GLN A 173 -3.567 -9.751 -1.018 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -3.815 -9.624 0.712 1.00 0.00 H new ATOM 0 HE21 GLN A 173 -3.861 -11.910 0.885 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -5.248 -12.855 0.332 1.00 0.00 H new ATOM 338 N LEU A 174 -3.626 -7.514 -2.860 1.00 0.00 N ATOM 339 CA LEU A 174 -2.632 -7.699 -3.904 1.00 0.00 C ATOM 340 C LEU A 174 -1.827 -6.418 -4.220 1.00 0.00 C ATOM 341 O LEU A 174 -0.653 -6.491 -4.618 1.00 0.00 O ATOM 342 CB LEU A 174 -3.265 -8.374 -5.144 1.00 0.00 C ATOM 343 CG LEU A 174 -4.519 -7.713 -5.751 1.00 0.00 C ATOM 344 CD1 LEU A 174 -4.171 -6.592 -6.711 1.00 0.00 C ATOM 345 CD2 LEU A 174 -5.412 -8.745 -6.408 1.00 0.00 C ATOM 0 H LEU A 174 -4.592 -7.594 -3.178 1.00 0.00 H new ATOM 0 HA LEU A 174 -1.876 -8.386 -3.524 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -2.504 -8.430 -5.922 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -3.521 -9.399 -4.875 1.00 0.00 H new ATOM 0 HG LEU A 174 -5.073 -7.260 -4.929 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -5.087 -6.159 -7.112 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -3.606 -5.823 -6.183 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -3.569 -6.987 -7.529 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -6.289 -8.253 -6.828 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -4.862 -9.248 -7.204 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -5.728 -9.478 -5.666 1.00 0.00 H new ATOM 357 N ARG A 175 -2.429 -5.254 -4.015 1.00 0.00 N ATOM 358 CA ARG A 175 -1.725 -3.996 -4.218 1.00 0.00 C ATOM 359 C ARG A 175 -0.802 -3.722 -3.031 1.00 0.00 C ATOM 360 O ARG A 175 0.365 -3.369 -3.195 1.00 0.00 O ATOM 361 CB ARG A 175 -2.693 -2.812 -4.403 1.00 0.00 C ATOM 362 CG ARG A 175 -3.611 -2.891 -5.619 1.00 0.00 C ATOM 363 CD ARG A 175 -2.832 -3.032 -6.919 1.00 0.00 C ATOM 364 NE ARG A 175 -3.718 -2.990 -8.090 1.00 0.00 N ATOM 365 CZ ARG A 175 -3.612 -3.758 -9.182 1.00 0.00 C ATOM 366 NH1 ARG A 175 -2.675 -4.702 -9.261 1.00 0.00 N ATOM 367 NH2 ARG A 175 -4.459 -3.593 -10.184 1.00 0.00 N ATOM 0 H ARG A 175 -3.397 -5.155 -3.710 1.00 0.00 H new ATOM 0 HA ARG A 175 -1.141 -4.092 -5.133 1.00 0.00 H new ATOM 0 HB2 ARG A 175 -3.311 -2.729 -3.509 1.00 0.00 H new ATOM 0 HB3 ARG A 175 -2.107 -1.895 -4.472 1.00 0.00 H new ATOM 0 HG2 ARG A 175 -4.286 -3.740 -5.508 1.00 0.00 H new ATOM 0 HG3 ARG A 175 -4.230 -1.995 -5.664 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -2.096 -2.232 -6.991 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -2.281 -3.972 -6.913 1.00 0.00 H new ATOM 0 HE ARG A 175 -4.483 -2.315 -8.070 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -2.029 -4.846 -8.485 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -2.604 -5.281 -10.098 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -5.189 -2.883 -10.123 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -4.382 -4.175 -11.018 1.00 0.00 H new ATOM 381 N GLU A 176 -1.334 -3.935 -1.851 1.00 0.00 N ATOM 382 CA GLU A 176 -0.648 -3.709 -0.598 1.00 0.00 C ATOM 383 C GLU A 176 0.556 -4.652 -0.489 1.00 0.00 C ATOM 384 O GLU A 176 1.664 -4.214 -0.162 1.00 0.00 O ATOM 385 CB GLU A 176 -1.673 -3.886 0.561 1.00 0.00 C ATOM 386 CG GLU A 176 -1.240 -3.472 1.974 1.00 0.00 C ATOM 387 CD GLU A 176 -0.270 -4.418 2.622 1.00 0.00 C ATOM 388 OE1 GLU A 176 -0.674 -5.519 2.998 1.00 0.00 O ATOM 389 OE2 GLU A 176 0.921 -4.079 2.756 1.00 0.00 O ATOM 0 H GLU A 176 -2.286 -4.281 -1.731 1.00 0.00 H new ATOM 0 HA GLU A 176 -0.250 -2.696 -0.540 1.00 0.00 H new ATOM 0 HB2 GLU A 176 -2.567 -3.318 0.306 1.00 0.00 H new ATOM 0 HB3 GLU A 176 -1.962 -4.937 0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 176 -0.788 -2.481 1.928 1.00 0.00 H new ATOM 0 HG3 GLU A 176 -2.126 -3.389 2.604 1.00 0.00 H new ATOM 396 N GLU A 177 0.356 -5.924 -0.827 1.00 0.00 N ATOM 397 CA GLU A 177 1.434 -6.895 -0.761 1.00 0.00 C ATOM 398 C GLU A 177 2.567 -6.587 -1.732 1.00 0.00 C ATOM 399 O GLU A 177 3.740 -6.823 -1.413 1.00 0.00 O ATOM 400 CB GLU A 177 0.956 -8.333 -0.928 1.00 0.00 C ATOM 401 CG GLU A 177 0.075 -8.828 0.204 1.00 0.00 C ATOM 402 CD GLU A 177 -0.179 -10.308 0.117 1.00 0.00 C ATOM 403 OE1 GLU A 177 0.648 -11.095 0.648 1.00 0.00 O ATOM 404 OE2 GLU A 177 -1.180 -10.724 -0.472 1.00 0.00 O ATOM 0 H GLU A 177 -0.537 -6.300 -1.146 1.00 0.00 H new ATOM 0 HA GLU A 177 1.832 -6.803 0.249 1.00 0.00 H new ATOM 0 HB2 GLU A 177 0.405 -8.415 -1.865 1.00 0.00 H new ATOM 0 HB3 GLU A 177 1.825 -8.986 -1.010 1.00 0.00 H new ATOM 0 HG2 GLU A 177 0.548 -8.597 1.159 1.00 0.00 H new ATOM 0 HG3 GLU A 177 -0.876 -8.295 0.182 1.00 0.00 H new ATOM 411 N ARG A 178 2.258 -6.043 -2.911 1.00 0.00 N ATOM 412 CA ARG A 178 3.340 -5.709 -3.818 1.00 0.00 C ATOM 413 C ARG A 178 4.099 -4.488 -3.312 1.00 0.00 C ATOM 414 O ARG A 178 5.311 -4.391 -3.489 1.00 0.00 O ATOM 415 CB ARG A 178 2.914 -5.542 -5.283 1.00 0.00 C ATOM 416 CG ARG A 178 2.089 -4.314 -5.608 1.00 0.00 C ATOM 417 CD ARG A 178 1.890 -4.207 -7.104 1.00 0.00 C ATOM 418 NE ARG A 178 1.088 -3.044 -7.493 1.00 0.00 N ATOM 419 CZ ARG A 178 0.552 -2.859 -8.705 1.00 0.00 C ATOM 420 NH1 ARG A 178 0.713 -3.777 -9.658 1.00 0.00 N ATOM 421 NH2 ARG A 178 -0.140 -1.754 -8.967 1.00 0.00 N ATOM 0 H ARG A 178 1.316 -5.835 -3.242 1.00 0.00 H new ATOM 0 HA ARG A 178 4.007 -6.571 -3.821 1.00 0.00 H new ATOM 0 HB2 ARG A 178 3.812 -5.523 -5.900 1.00 0.00 H new ATOM 0 HB3 ARG A 178 2.344 -6.424 -5.576 1.00 0.00 H new ATOM 0 HG2 ARG A 178 1.123 -4.372 -5.107 1.00 0.00 H new ATOM 0 HG3 ARG A 178 2.589 -3.420 -5.234 1.00 0.00 H new ATOM 0 HD2 ARG A 178 2.863 -4.150 -7.591 1.00 0.00 H new ATOM 0 HD3 ARG A 178 1.405 -5.113 -7.466 1.00 0.00 H new ATOM 0 HE ARG A 178 0.927 -2.324 -6.789 1.00 0.00 H new ATOM 0 HH11 ARG A 178 1.247 -4.625 -9.465 1.00 0.00 H new ATOM 0 HH12 ARG A 178 0.303 -3.632 -10.580 1.00 0.00 H new ATOM 0 HH21 ARG A 178 -0.263 -1.046 -8.243 1.00 0.00 H new ATOM 0 HH22 ARG A 178 -0.548 -1.615 -9.892 1.00 0.00 H new ATOM 435 N LEU A 179 3.394 -3.590 -2.617 1.00 0.00 N ATOM 436 CA LEU A 179 4.032 -2.424 -2.008 1.00 0.00 C ATOM 437 C LEU A 179 5.041 -2.865 -0.959 1.00 0.00 C ATOM 438 O LEU A 179 6.053 -2.202 -0.747 1.00 0.00 O ATOM 439 CB LEU A 179 3.014 -1.483 -1.365 1.00 0.00 C ATOM 440 CG LEU A 179 2.052 -0.748 -2.293 1.00 0.00 C ATOM 441 CD1 LEU A 179 1.086 0.091 -1.471 1.00 0.00 C ATOM 442 CD2 LEU A 179 2.820 0.141 -3.265 1.00 0.00 C ATOM 0 H LEU A 179 2.387 -3.649 -2.464 1.00 0.00 H new ATOM 0 HA LEU A 179 4.537 -1.881 -2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 179 2.422 -2.062 -0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 179 3.562 -0.737 -0.789 1.00 0.00 H new ATOM 0 HG LEU A 179 1.490 -1.483 -2.869 1.00 0.00 H new ATOM 0 HD11 LEU A 179 0.401 0.614 -2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 179 0.519 -0.557 -0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 179 1.646 0.818 -0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 179 2.117 0.657 -3.919 1.00 0.00 H new ATOM 0 HD22 LEU A 179 3.401 0.874 -2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 179 3.491 -0.472 -3.866 1.00 0.00 H new ATOM 454 N ARG A 180 4.767 -4.000 -0.329 1.00 0.00 N ATOM 455 CA ARG A 180 5.664 -4.560 0.665 1.00 0.00 C ATOM 456 C ARG A 180 6.997 -4.899 0.033 1.00 0.00 C ATOM 457 O ARG A 180 8.019 -4.402 0.462 1.00 0.00 O ATOM 458 CB ARG A 180 5.081 -5.805 1.314 1.00 0.00 C ATOM 459 CG ARG A 180 3.761 -5.587 2.010 1.00 0.00 C ATOM 460 CD ARG A 180 3.285 -6.872 2.632 1.00 0.00 C ATOM 461 NE ARG A 180 1.974 -6.743 3.255 1.00 0.00 N ATOM 462 CZ ARG A 180 1.474 -7.601 4.148 1.00 0.00 C ATOM 463 NH1 ARG A 180 2.189 -8.658 4.537 1.00 0.00 N ATOM 464 NH2 ARG A 180 0.249 -7.416 4.618 1.00 0.00 N ATOM 0 H ARG A 180 3.925 -4.551 -0.492 1.00 0.00 H new ATOM 0 HA ARG A 180 5.803 -3.806 1.440 1.00 0.00 H new ATOM 0 HB2 ARG A 180 4.952 -6.571 0.550 1.00 0.00 H new ATOM 0 HB3 ARG A 180 5.799 -6.193 2.037 1.00 0.00 H new ATOM 0 HG2 ARG A 180 3.868 -4.820 2.777 1.00 0.00 H new ATOM 0 HG3 ARG A 180 3.021 -5.223 1.297 1.00 0.00 H new ATOM 0 HD2 ARG A 180 3.245 -7.648 1.868 1.00 0.00 H new ATOM 0 HD3 ARG A 180 4.008 -7.199 3.380 1.00 0.00 H new ATOM 0 HE ARG A 180 1.399 -5.943 2.991 1.00 0.00 H new ATOM 0 HH11 ARG A 180 3.121 -8.813 4.152 1.00 0.00 H new ATOM 0 HH12 ARG A 180 1.804 -9.311 5.219 1.00 0.00 H new ATOM 0 HH21 ARG A 180 -0.306 -6.622 4.298 1.00 0.00 H new ATOM 0 HH22 ARG A 180 -0.139 -8.067 5.300 1.00 0.00 H new ATOM 478 N GLN A 181 6.975 -5.696 -1.045 1.00 0.00 N ATOM 479 CA GLN A 181 8.220 -6.106 -1.711 1.00 0.00 C ATOM 480 C GLN A 181 8.914 -4.933 -2.376 1.00 0.00 C ATOM 481 O GLN A 181 10.139 -4.927 -2.569 1.00 0.00 O ATOM 482 CB GLN A 181 7.998 -7.320 -2.648 1.00 0.00 C ATOM 483 CG GLN A 181 7.076 -7.183 -3.895 1.00 0.00 C ATOM 484 CD GLN A 181 7.660 -6.386 -5.072 1.00 0.00 C ATOM 485 OE1 GLN A 181 8.372 -6.930 -5.909 1.00 0.00 O ATOM 486 NE2 GLN A 181 7.275 -5.159 -5.213 1.00 0.00 N ATOM 0 H GLN A 181 6.124 -6.065 -1.469 1.00 0.00 H new ATOM 0 HA GLN A 181 8.912 -6.455 -0.944 1.00 0.00 H new ATOM 0 HB2 GLN A 181 8.978 -7.639 -3.003 1.00 0.00 H new ATOM 0 HB3 GLN A 181 7.600 -8.131 -2.038 1.00 0.00 H new ATOM 0 HG2 GLN A 181 6.822 -8.183 -4.248 1.00 0.00 H new ATOM 0 HG3 GLN A 181 6.145 -6.708 -3.585 1.00 0.00 H new ATOM 0 HE21 GLN A 181 6.683 -4.726 -4.505 1.00 0.00 H new ATOM 0 HE22 GLN A 181 7.564 -4.625 -6.033 1.00 0.00 H new ATOM 495 N TYR A 182 8.125 -3.943 -2.673 1.00 0.00 N ATOM 496 CA TYR A 182 8.595 -2.702 -3.244 1.00 0.00 C ATOM 497 C TYR A 182 9.432 -1.946 -2.223 1.00 0.00 C ATOM 498 O TYR A 182 10.592 -1.630 -2.473 1.00 0.00 O ATOM 499 CB TYR A 182 7.403 -1.841 -3.701 1.00 0.00 C ATOM 500 CG TYR A 182 7.783 -0.456 -4.162 1.00 0.00 C ATOM 501 CD1 TYR A 182 8.312 -0.240 -5.423 1.00 0.00 C ATOM 502 CD2 TYR A 182 7.634 0.636 -3.315 1.00 0.00 C ATOM 503 CE1 TYR A 182 8.680 1.023 -5.827 1.00 0.00 C ATOM 504 CE2 TYR A 182 8.004 1.893 -3.712 1.00 0.00 C ATOM 505 CZ TYR A 182 8.525 2.083 -4.965 1.00 0.00 C ATOM 506 OH TYR A 182 8.905 3.340 -5.350 1.00 0.00 O ATOM 0 H TYR A 182 7.116 -3.970 -2.525 1.00 0.00 H new ATOM 0 HA TYR A 182 9.215 -2.924 -4.113 1.00 0.00 H new ATOM 0 HB2 TYR A 182 6.889 -2.354 -4.514 1.00 0.00 H new ATOM 0 HB3 TYR A 182 6.693 -1.756 -2.878 1.00 0.00 H new ATOM 0 HD1 TYR A 182 8.437 -1.073 -6.098 1.00 0.00 H new ATOM 0 HD2 TYR A 182 7.220 0.491 -2.328 1.00 0.00 H new ATOM 0 HE1 TYR A 182 9.088 1.181 -6.815 1.00 0.00 H new ATOM 0 HE2 TYR A 182 7.886 2.731 -3.041 1.00 0.00 H new ATOM 0 HH TYR A 182 8.806 3.429 -6.321 1.00 0.00 H new ATOM 516 N ALA A 183 8.836 -1.685 -1.070 1.00 0.00 N ATOM 517 CA ALA A 183 9.476 -0.930 -0.008 1.00 0.00 C ATOM 518 C ALA A 183 10.612 -1.721 0.626 1.00 0.00 C ATOM 519 O ALA A 183 11.665 -1.156 0.958 1.00 0.00 O ATOM 520 CB ALA A 183 8.452 -0.528 1.042 1.00 0.00 C ATOM 0 H ALA A 183 7.890 -1.993 -0.845 1.00 0.00 H new ATOM 0 HA ALA A 183 9.904 -0.028 -0.445 1.00 0.00 H new ATOM 0 HB1 ALA A 183 8.945 0.038 1.833 1.00 0.00 H new ATOM 0 HB2 ALA A 183 7.681 0.089 0.581 1.00 0.00 H new ATOM 0 HB3 ALA A 183 7.995 -1.422 1.466 1.00 0.00 H new ATOM 526 N GLU A 184 10.397 -3.023 0.751 1.00 0.00 N ATOM 527 CA GLU A 184 11.346 -3.964 1.338 1.00 0.00 C ATOM 528 C GLU A 184 12.680 -3.903 0.626 1.00 0.00 C ATOM 529 O GLU A 184 13.728 -3.784 1.252 1.00 0.00 O ATOM 530 CB GLU A 184 10.778 -5.382 1.216 1.00 0.00 C ATOM 531 CG GLU A 184 11.676 -6.491 1.720 1.00 0.00 C ATOM 532 CD GLU A 184 11.090 -7.848 1.451 1.00 0.00 C ATOM 533 OE1 GLU A 184 11.335 -8.410 0.362 1.00 0.00 O ATOM 534 OE2 GLU A 184 10.372 -8.392 2.317 1.00 0.00 O ATOM 0 H GLU A 184 9.534 -3.468 0.439 1.00 0.00 H new ATOM 0 HA GLU A 184 11.499 -3.700 2.384 1.00 0.00 H new ATOM 0 HB2 GLU A 184 9.836 -5.425 1.762 1.00 0.00 H new ATOM 0 HB3 GLU A 184 10.548 -5.573 0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 184 12.652 -6.415 1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 184 11.837 -6.370 2.791 1.00 0.00 H new ATOM 541 N LYS A 185 12.638 -4.009 -0.675 1.00 0.00 N ATOM 542 CA LYS A 185 13.844 -4.024 -1.461 1.00 0.00 C ATOM 543 C LYS A 185 14.236 -2.651 -1.985 1.00 0.00 C ATOM 544 O LYS A 185 15.204 -2.536 -2.766 1.00 0.00 O ATOM 545 CB LYS A 185 13.753 -5.047 -2.586 1.00 0.00 C ATOM 546 CG LYS A 185 13.573 -6.470 -2.088 1.00 0.00 C ATOM 547 CD LYS A 185 13.608 -7.460 -3.228 1.00 0.00 C ATOM 548 CE LYS A 185 13.436 -8.892 -2.737 1.00 0.00 C ATOM 549 NZ LYS A 185 12.122 -9.122 -2.103 1.00 0.00 N ATOM 0 H LYS A 185 11.777 -4.087 -1.216 1.00 0.00 H new ATOM 0 HA LYS A 185 14.646 -4.327 -0.788 1.00 0.00 H new ATOM 0 HB2 LYS A 185 12.918 -4.788 -3.237 1.00 0.00 H new ATOM 0 HB3 LYS A 185 14.658 -4.993 -3.192 1.00 0.00 H new ATOM 0 HG2 LYS A 185 14.359 -6.709 -1.372 1.00 0.00 H new ATOM 0 HG3 LYS A 185 12.624 -6.555 -1.559 1.00 0.00 H new ATOM 0 HD2 LYS A 185 12.818 -7.222 -3.941 1.00 0.00 H new ATOM 0 HD3 LYS A 185 14.555 -7.369 -3.760 1.00 0.00 H new ATOM 0 HE2 LYS A 185 13.555 -9.577 -3.577 1.00 0.00 H new ATOM 0 HE3 LYS A 185 14.226 -9.124 -2.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 11.929 -10.143 -2.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 12.129 -8.734 -1.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 11.381 -8.651 -2.660 1.00 0.00 H new ATOM 563 N LYS A 186 13.530 -1.603 -1.561 1.00 0.00 N ATOM 564 CA LYS A 186 13.830 -0.281 -2.054 1.00 0.00 C ATOM 565 C LYS A 186 14.984 0.341 -1.309 1.00 0.00 C ATOM 566 O LYS A 186 14.814 1.033 -0.296 1.00 0.00 O ATOM 567 CB LYS A 186 12.632 0.649 -2.079 1.00 0.00 C ATOM 568 CG LYS A 186 12.895 1.944 -2.843 1.00 0.00 C ATOM 569 CD LYS A 186 11.657 2.809 -2.962 1.00 0.00 C ATOM 570 CE LYS A 186 11.937 4.027 -3.828 1.00 0.00 C ATOM 571 NZ LYS A 186 10.745 4.876 -4.006 1.00 0.00 N ATOM 0 H LYS A 186 12.763 -1.652 -0.890 1.00 0.00 H new ATOM 0 HA LYS A 186 14.125 -0.420 -3.094 1.00 0.00 H new ATOM 0 HB2 LYS A 186 11.787 0.131 -2.533 1.00 0.00 H new ATOM 0 HB3 LYS A 186 12.345 0.890 -1.055 1.00 0.00 H new ATOM 0 HG2 LYS A 186 13.680 2.507 -2.338 1.00 0.00 H new ATOM 0 HG3 LYS A 186 13.265 1.705 -3.840 1.00 0.00 H new ATOM 0 HD2 LYS A 186 10.841 2.229 -3.394 1.00 0.00 H new ATOM 0 HD3 LYS A 186 11.332 3.127 -1.971 1.00 0.00 H new ATOM 0 HE2 LYS A 186 12.735 4.616 -3.375 1.00 0.00 H new ATOM 0 HE3 LYS A 186 12.296 3.701 -4.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 10.963 5.646 -4.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 9.964 4.303 -4.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 10.466 5.279 -3.089 1.00 0.00 H new ATOM 585 N ALA A 187 16.140 0.036 -1.774 1.00 0.00 N ATOM 586 CA ALA A 187 17.360 0.557 -1.261 1.00 0.00 C ATOM 587 C ALA A 187 18.055 1.249 -2.406 1.00 0.00 C ATOM 588 O ALA A 187 17.462 1.381 -3.488 1.00 0.00 O ATOM 589 CB ALA A 187 18.221 -0.576 -0.712 1.00 0.00 C ATOM 0 H ALA A 187 16.271 -0.609 -2.553 1.00 0.00 H new ATOM 0 HA ALA A 187 17.180 1.256 -0.444 1.00 0.00 H new ATOM 0 HB1 ALA A 187 19.153 -0.168 -0.321 1.00 0.00 H new ATOM 0 HB2 ALA A 187 17.684 -1.086 0.088 1.00 0.00 H new ATOM 0 HB3 ALA A 187 18.442 -1.285 -1.510 1.00 0.00 H new ATOM 595 N LYS A 188 19.255 1.726 -2.183 1.00 0.00 N ATOM 596 CA LYS A 188 20.058 2.302 -3.249 1.00 0.00 C ATOM 597 C LYS A 188 20.275 1.287 -4.358 1.00 0.00 C ATOM 598 O LYS A 188 20.913 0.244 -4.141 1.00 0.00 O ATOM 599 CB LYS A 188 21.387 2.806 -2.707 1.00 0.00 C ATOM 600 CG LYS A 188 21.311 4.146 -2.004 1.00 0.00 C ATOM 601 CD LYS A 188 20.980 5.236 -3.005 1.00 0.00 C ATOM 602 CE LYS A 188 21.055 6.617 -2.397 1.00 0.00 C ATOM 603 NZ LYS A 188 20.893 7.661 -3.429 1.00 0.00 N ATOM 0 H LYS A 188 19.705 1.729 -1.268 1.00 0.00 H new ATOM 0 HA LYS A 188 19.519 3.153 -3.666 1.00 0.00 H new ATOM 0 HB2 LYS A 188 21.785 2.067 -2.012 1.00 0.00 H new ATOM 0 HB3 LYS A 188 22.096 2.882 -3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 188 20.551 4.114 -1.223 1.00 0.00 H new ATOM 0 HG3 LYS A 188 22.261 4.365 -1.516 1.00 0.00 H new ATOM 0 HD2 LYS A 188 21.670 5.174 -3.847 1.00 0.00 H new ATOM 0 HD3 LYS A 188 19.978 5.070 -3.401 1.00 0.00 H new ATOM 0 HE2 LYS A 188 20.279 6.727 -1.639 1.00 0.00 H new ATOM 0 HE3 LYS A 188 22.013 6.745 -1.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 20.949 8.600 -2.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 21.648 7.568 -4.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 19.968 7.551 -3.892 1.00 0.00 H new ATOM 617 N LYS A 189 19.729 1.600 -5.536 1.00 0.00 N ATOM 618 CA LYS A 189 19.747 0.710 -6.697 1.00 0.00 C ATOM 619 C LYS A 189 19.001 -0.591 -6.357 1.00 0.00 C ATOM 620 O LYS A 189 19.614 -1.636 -6.097 1.00 0.00 O ATOM 621 CB LYS A 189 21.186 0.461 -7.196 1.00 0.00 C ATOM 622 CG LYS A 189 21.890 1.752 -7.617 1.00 0.00 C ATOM 623 CD LYS A 189 23.371 1.565 -7.908 1.00 0.00 C ATOM 624 CE LYS A 189 23.627 0.587 -9.036 1.00 0.00 C ATOM 625 NZ LYS A 189 25.060 0.533 -9.392 1.00 0.00 N ATOM 0 H LYS A 189 19.258 2.487 -5.711 1.00 0.00 H new ATOM 0 HA LYS A 189 19.225 1.188 -7.526 1.00 0.00 H new ATOM 0 HB2 LYS A 189 21.762 -0.023 -6.407 1.00 0.00 H new ATOM 0 HB3 LYS A 189 21.160 -0.228 -8.041 1.00 0.00 H new ATOM 0 HG2 LYS A 189 21.400 2.151 -8.505 1.00 0.00 H new ATOM 0 HG3 LYS A 189 21.773 2.495 -6.828 1.00 0.00 H new ATOM 0 HD2 LYS A 189 23.812 2.529 -8.162 1.00 0.00 H new ATOM 0 HD3 LYS A 189 23.872 1.213 -7.007 1.00 0.00 H new ATOM 0 HE2 LYS A 189 23.286 -0.406 -8.742 1.00 0.00 H new ATOM 0 HE3 LYS A 189 23.045 0.878 -9.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 25.200 -0.146 -10.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 25.378 1.475 -9.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 25.612 0.231 -8.564 1.00 0.00 H new ATOM 639 N PRO A 190 17.656 -0.519 -6.293 1.00 0.00 N ATOM 640 CA PRO A 190 16.824 -1.623 -5.836 1.00 0.00 C ATOM 641 C PRO A 190 16.737 -2.816 -6.790 1.00 0.00 C ATOM 642 O PRO A 190 16.530 -3.952 -6.341 1.00 0.00 O ATOM 643 CB PRO A 190 15.449 -0.989 -5.639 1.00 0.00 C ATOM 644 CG PRO A 190 15.425 0.178 -6.553 1.00 0.00 C ATOM 645 CD PRO A 190 16.839 0.672 -6.644 1.00 0.00 C ATOM 0 HA PRO A 190 17.254 -2.062 -4.936 1.00 0.00 H new ATOM 0 HB2 PRO A 190 14.652 -1.693 -5.879 1.00 0.00 H new ATOM 0 HB3 PRO A 190 15.302 -0.682 -4.604 1.00 0.00 H new ATOM 0 HG2 PRO A 190 15.048 -0.106 -7.536 1.00 0.00 H new ATOM 0 HG3 PRO A 190 14.765 0.957 -6.171 1.00 0.00 H new ATOM 0 HD2 PRO A 190 17.072 1.035 -7.645 1.00 0.00 H new ATOM 0 HD3 PRO A 190 17.019 1.497 -5.955 1.00 0.00 H new ATOM 653 N ALA A 191 16.887 -2.593 -8.073 1.00 0.00 N ATOM 654 CA ALA A 191 16.757 -3.675 -9.021 1.00 0.00 C ATOM 655 C ALA A 191 17.766 -3.553 -10.137 1.00 0.00 C ATOM 656 O ALA A 191 17.751 -2.592 -10.898 1.00 0.00 O ATOM 657 CB ALA A 191 15.336 -3.736 -9.572 1.00 0.00 C ATOM 0 H ALA A 191 17.097 -1.683 -8.483 1.00 0.00 H new ATOM 0 HA ALA A 191 16.962 -4.608 -8.496 1.00 0.00 H new ATOM 0 HB1 ALA A 191 15.257 -4.557 -10.285 1.00 0.00 H new ATOM 0 HB2 ALA A 191 14.635 -3.897 -8.753 1.00 0.00 H new ATOM 0 HB3 ALA A 191 15.099 -2.797 -10.073 1.00 0.00 H new ATOM 663 N LEU A 192 18.631 -4.522 -10.226 1.00 0.00 N ATOM 664 CA LEU A 192 19.642 -4.558 -11.247 1.00 0.00 C ATOM 665 C LEU A 192 19.423 -5.802 -12.076 1.00 0.00 C ATOM 666 O LEU A 192 18.722 -5.729 -13.097 1.00 0.00 O ATOM 667 CB LEU A 192 21.047 -4.564 -10.622 1.00 0.00 C ATOM 668 CG LEU A 192 21.401 -3.363 -9.732 1.00 0.00 C ATOM 669 CD1 LEU A 192 22.792 -3.524 -9.143 1.00 0.00 C ATOM 670 CD2 LEU A 192 21.301 -2.064 -10.522 1.00 0.00 C ATOM 671 OXT LEU A 192 19.871 -6.900 -11.663 1.00 0.00 O ATOM 0 H LEU A 192 18.656 -5.317 -9.587 1.00 0.00 H new ATOM 0 HA LEU A 192 19.570 -3.670 -11.876 1.00 0.00 H new ATOM 0 HB2 LEU A 192 21.154 -5.472 -10.029 1.00 0.00 H new ATOM 0 HB3 LEU A 192 21.779 -4.621 -11.427 1.00 0.00 H new ATOM 0 HG LEU A 192 20.685 -3.322 -8.911 1.00 0.00 H new ATOM 0 HD11 LEU A 192 23.024 -2.663 -8.516 1.00 0.00 H new ATOM 0 HD12 LEU A 192 22.829 -4.432 -8.541 1.00 0.00 H new ATOM 0 HD13 LEU A 192 23.523 -3.593 -9.949 1.00 0.00 H new ATOM 0 HD21 LEU A 192 21.555 -1.224 -9.875 1.00 0.00 H new ATOM 0 HD22 LEU A 192 21.993 -2.096 -11.364 1.00 0.00 H new ATOM 0 HD23 LEU A 192 20.283 -1.941 -10.893 1.00 0.00 H new TER 683 LEU A 192