USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 559 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: A2085 GLN : amide:sc= 0.696 K(o=1.4,f=-0.18) USER MOD Set 1.2: A2089 ASN : amide:sc= 0.736 K(o=1.4,f=-0.57) USER MOD Set 2.1: A2077 SER OG : rot -80:sc= 0.342 USER MOD Set 2.2: A2083 GLN : amide:sc= 1 K(o=1.3,f=0.34) USER MOD Set 3.1: A2074 THR OG1 : rot 81:sc= 1.52 USER MOD Set 3.2: A2086 GLN : amide:sc= 0.321 K(o=1.8,f=1) USER MOD Set 4.1: A2064 SER OG : rot -123:sc= 0.265 USER MOD Set 4.2: A2066 SER OG : rot 180:sc= 0.326 USER MOD Single : A2069 GLN : amide:sc= -0.0101 X(o=-0.01,f=-0.01) USER MOD Single : A2076 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2079 SER OG : rot 180:sc= 0 USER MOD Single : A2080 SER OG : rot -75:sc= 0.00284 USER MOD Single : A2082 GLN : amide:sc= -0.549 X(o=-0.55,f=-0.55) USER MOD Single : A2084 GLN : amide:sc= 0.673 K(o=0.67,f=-1.7!) USER MOD Single : A2092 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2093 SER OG : rot 86:sc= 0.594 USER MOD Single : A2094 ASN : amide:sc= 0.171 K(o=0.17,f=-1.3) USER MOD Single : A2096 GLN :FLIP amide:sc= -0.853 F(o=-2.7,f=-0.85) USER MOD Single : A2098 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A2103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2104 GLN : amide:sc= 0.0556 X(o=0.056,f=-0.027) USER MOD Single : A2106 THR OG1 : rot 180:sc= 0 USER MOD Single : A2108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 THR OG1 : rot -39:sc= 0.0315 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 24 LYS NZ :NH3+ -178:sc= 1.21 (180deg=1.14) USER MOD Single : B 44 MET CE :methyl -116:sc= -0.0822 (180deg=-1.23) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 52 GLN : amide:sc= -0.29 X(o=-0.29,f=0) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 64 N ILE A2063 6.916 -3.567 -17.227 1.00 0.00 N ATOM 65 CA ILE A2063 6.926 -5.021 -16.996 1.00 0.00 C ATOM 66 C ILE A2063 6.203 -5.802 -18.113 1.00 0.00 C ATOM 67 O ILE A2063 5.140 -5.389 -18.585 1.00 0.00 O ATOM 68 CB ILE A2063 6.390 -5.382 -15.589 1.00 0.00 C ATOM 69 CG1 ILE A2063 4.879 -5.078 -15.428 1.00 0.00 C ATOM 70 CG2 ILE A2063 7.232 -4.687 -14.494 1.00 0.00 C ATOM 71 CD1 ILE A2063 4.296 -5.385 -14.042 1.00 0.00 C ATOM 0 HA ILE A2063 7.969 -5.336 -17.031 1.00 0.00 H new ATOM 0 HB ILE A2063 6.494 -6.461 -15.470 1.00 0.00 H new ATOM 0 HG12 ILE A2063 4.711 -4.024 -15.650 1.00 0.00 H new ATOM 0 HG13 ILE A2063 4.328 -5.653 -16.172 1.00 0.00 H new ATOM 0 HG21 ILE A2063 6.841 -4.952 -13.512 1.00 0.00 H new ATOM 0 HG22 ILE A2063 8.269 -5.012 -14.572 1.00 0.00 H new ATOM 0 HG23 ILE A2063 7.180 -3.606 -14.626 1.00 0.00 H new ATOM 0 HD11 ILE A2063 3.234 -5.139 -14.031 1.00 0.00 H new ATOM 0 HD12 ILE A2063 4.425 -6.444 -13.820 1.00 0.00 H new ATOM 0 HD13 ILE A2063 4.814 -4.791 -13.290 1.00 0.00 H new ATOM 83 N SER A2064 6.772 -6.934 -18.542 1.00 0.00 N ATOM 84 CA SER A2064 6.211 -7.786 -19.608 1.00 0.00 C ATOM 85 C SER A2064 6.813 -9.200 -19.599 1.00 0.00 C ATOM 86 O SER A2064 8.012 -9.333 -19.336 1.00 0.00 O ATOM 87 CB SER A2064 6.539 -7.152 -20.968 1.00 0.00 C ATOM 88 OG SER A2064 5.983 -7.905 -22.032 1.00 0.00 O ATOM 0 H SER A2064 7.646 -7.293 -18.157 1.00 0.00 H new ATOM 0 HA SER A2064 5.137 -7.862 -19.437 1.00 0.00 H new ATOM 0 HB2 SER A2064 6.153 -6.133 -21.000 1.00 0.00 H new ATOM 0 HB3 SER A2064 7.620 -7.087 -21.091 1.00 0.00 H new ATOM 0 HG SER A2064 6.695 -8.175 -22.649 1.00 0.00 H new ATOM 94 N PRO A2065 6.055 -10.268 -19.932 1.00 0.00 N ATOM 95 CA PRO A2065 6.592 -11.632 -20.029 1.00 0.00 C ATOM 96 C PRO A2065 7.678 -11.781 -21.110 1.00 0.00 C ATOM 97 O PRO A2065 8.482 -12.712 -21.038 1.00 0.00 O ATOM 98 CB PRO A2065 5.388 -12.533 -20.318 1.00 0.00 C ATOM 99 CG PRO A2065 4.393 -11.589 -20.992 1.00 0.00 C ATOM 100 CD PRO A2065 4.637 -10.267 -20.270 1.00 0.00 C ATOM 0 HA PRO A2065 7.094 -11.906 -19.101 1.00 0.00 H new ATOM 0 HB2 PRO A2065 5.656 -13.365 -20.969 1.00 0.00 H new ATOM 0 HB3 PRO A2065 4.979 -12.962 -19.404 1.00 0.00 H new ATOM 0 HG2 PRO A2065 4.577 -11.505 -22.063 1.00 0.00 H new ATOM 0 HG3 PRO A2065 3.365 -11.932 -20.872 1.00 0.00 H new ATOM 0 HD2 PRO A2065 4.385 -9.419 -20.907 1.00 0.00 H new ATOM 0 HD3 PRO A2065 4.020 -10.188 -19.375 1.00 0.00 H new ATOM 108 N SER A2066 7.759 -10.869 -22.089 1.00 0.00 N ATOM 109 CA SER A2066 8.820 -10.885 -23.107 1.00 0.00 C ATOM 110 C SER A2066 10.205 -10.643 -22.491 1.00 0.00 C ATOM 111 O SER A2066 11.190 -11.236 -22.932 1.00 0.00 O ATOM 112 CB SER A2066 8.542 -9.863 -24.215 1.00 0.00 C ATOM 113 OG SER A2066 8.453 -8.546 -23.690 1.00 0.00 O ATOM 0 H SER A2066 7.095 -10.103 -22.198 1.00 0.00 H new ATOM 0 HA SER A2066 8.821 -11.881 -23.549 1.00 0.00 H new ATOM 0 HB2 SER A2066 9.336 -9.907 -24.961 1.00 0.00 H new ATOM 0 HB3 SER A2066 7.612 -10.118 -24.723 1.00 0.00 H new ATOM 0 HG SER A2066 8.277 -7.915 -24.419 1.00 0.00 H new ATOM 119 N ALA A2067 10.285 -9.846 -21.418 1.00 0.00 N ATOM 120 CA ALA A2067 11.519 -9.582 -20.679 1.00 0.00 C ATOM 121 C ALA A2067 12.133 -10.861 -20.079 1.00 0.00 C ATOM 122 O ALA A2067 13.354 -11.012 -20.019 1.00 0.00 O ATOM 123 CB ALA A2067 11.195 -8.574 -19.577 1.00 0.00 C ATOM 0 H ALA A2067 9.475 -9.358 -21.034 1.00 0.00 H new ATOM 0 HA ALA A2067 12.265 -9.183 -21.366 1.00 0.00 H new ATOM 0 HB1 ALA A2067 12.098 -8.356 -19.006 1.00 0.00 H new ATOM 0 HB2 ALA A2067 10.818 -7.654 -20.024 1.00 0.00 H new ATOM 0 HB3 ALA A2067 10.438 -8.992 -18.913 1.00 0.00 H new ATOM 129 N LEU A2068 11.284 -11.810 -19.671 1.00 0.00 N ATOM 130 CA LEU A2068 11.697 -13.105 -19.129 1.00 0.00 C ATOM 131 C LEU A2068 12.325 -13.962 -20.246 1.00 0.00 C ATOM 132 O LEU A2068 13.272 -14.705 -20.000 1.00 0.00 O ATOM 133 CB LEU A2068 10.490 -13.802 -18.469 1.00 0.00 C ATOM 134 CG LEU A2068 9.995 -13.194 -17.137 1.00 0.00 C ATOM 135 CD1 LEU A2068 9.613 -11.712 -17.190 1.00 0.00 C ATOM 136 CD2 LEU A2068 8.760 -13.963 -16.671 1.00 0.00 C ATOM 0 H LEU A2068 10.271 -11.695 -19.710 1.00 0.00 H new ATOM 0 HA LEU A2068 12.456 -12.963 -18.359 1.00 0.00 H new ATOM 0 HB2 LEU A2068 9.661 -13.796 -19.177 1.00 0.00 H new ATOM 0 HB3 LEU A2068 10.751 -14.846 -18.293 1.00 0.00 H new ATOM 0 HG LEU A2068 10.843 -13.276 -16.457 1.00 0.00 H new ATOM 0 HD11 LEU A2068 9.280 -11.387 -16.204 1.00 0.00 H new ATOM 0 HD12 LEU A2068 10.479 -11.124 -17.493 1.00 0.00 H new ATOM 0 HD13 LEU A2068 8.808 -11.569 -17.911 1.00 0.00 H new ATOM 0 HD21 LEU A2068 8.402 -13.542 -15.731 1.00 0.00 H new ATOM 0 HD22 LEU A2068 7.977 -13.885 -17.425 1.00 0.00 H new ATOM 0 HD23 LEU A2068 9.018 -15.012 -16.524 1.00 0.00 H new ATOM 148 N GLN A2069 11.854 -13.808 -21.490 1.00 0.00 N ATOM 149 CA GLN A2069 12.448 -14.471 -22.661 1.00 0.00 C ATOM 150 C GLN A2069 13.796 -13.818 -23.031 1.00 0.00 C ATOM 151 O GLN A2069 14.744 -14.515 -23.397 1.00 0.00 O ATOM 152 CB GLN A2069 11.487 -14.467 -23.866 1.00 0.00 C ATOM 153 CG GLN A2069 10.038 -14.873 -23.543 1.00 0.00 C ATOM 154 CD GLN A2069 9.926 -16.136 -22.688 1.00 0.00 C ATOM 155 OE1 GLN A2069 10.414 -17.205 -23.032 1.00 0.00 O ATOM 156 NE2 GLN A2069 9.283 -16.059 -21.541 1.00 0.00 N ATOM 0 H GLN A2069 11.051 -13.221 -21.714 1.00 0.00 H new ATOM 0 HA GLN A2069 12.630 -15.512 -22.393 1.00 0.00 H new ATOM 0 HB2 GLN A2069 11.480 -13.468 -24.303 1.00 0.00 H new ATOM 0 HB3 GLN A2069 11.878 -15.144 -24.625 1.00 0.00 H new ATOM 0 HG2 GLN A2069 9.547 -14.050 -23.024 1.00 0.00 H new ATOM 0 HG3 GLN A2069 9.498 -15.029 -24.477 1.00 0.00 H new ATOM 0 HE21 GLN A2069 8.873 -15.173 -21.245 1.00 0.00 H new ATOM 0 HE22 GLN A2069 9.195 -16.885 -20.949 1.00 0.00 H new ATOM 165 N ASP A2070 13.919 -12.492 -22.889 1.00 0.00 N ATOM 166 CA ASP A2070 15.186 -11.776 -23.103 1.00 0.00 C ATOM 167 C ASP A2070 16.251 -12.206 -22.072 1.00 0.00 C ATOM 168 O ASP A2070 17.432 -12.307 -22.410 1.00 0.00 O ATOM 169 CB ASP A2070 14.982 -10.252 -23.058 1.00 0.00 C ATOM 170 CG ASP A2070 14.390 -9.678 -24.354 1.00 0.00 C ATOM 171 OD1 ASP A2070 15.082 -9.750 -25.398 1.00 0.00 O ATOM 172 OD2 ASP A2070 13.282 -9.097 -24.325 1.00 0.00 O ATOM 0 H ASP A2070 13.144 -11.884 -22.623 1.00 0.00 H new ATOM 0 HA ASP A2070 15.545 -12.042 -24.097 1.00 0.00 H new ATOM 0 HB2 ASP A2070 14.323 -10.005 -22.226 1.00 0.00 H new ATOM 0 HB3 ASP A2070 15.939 -9.770 -22.860 1.00 0.00 H new ATOM 177 N LEU A2071 15.851 -12.516 -20.829 1.00 0.00 N ATOM 178 CA LEU A2071 16.754 -13.035 -19.791 1.00 0.00 C ATOM 179 C LEU A2071 17.367 -14.365 -20.260 1.00 0.00 C ATOM 180 O LEU A2071 18.581 -14.551 -20.173 1.00 0.00 O ATOM 181 CB LEU A2071 15.971 -13.167 -18.467 1.00 0.00 C ATOM 182 CG LEU A2071 16.799 -13.455 -17.196 1.00 0.00 C ATOM 183 CD1 LEU A2071 15.901 -13.257 -15.972 1.00 0.00 C ATOM 184 CD2 LEU A2071 17.351 -14.882 -17.104 1.00 0.00 C ATOM 0 H LEU A2071 14.886 -12.413 -20.514 1.00 0.00 H new ATOM 0 HA LEU A2071 17.583 -12.350 -19.615 1.00 0.00 H new ATOM 0 HB2 LEU A2071 15.414 -12.244 -18.308 1.00 0.00 H new ATOM 0 HB3 LEU A2071 15.238 -13.965 -18.584 1.00 0.00 H new ATOM 0 HG LEU A2071 17.647 -12.771 -17.236 1.00 0.00 H new ATOM 0 HD11 LEU A2071 16.472 -13.457 -15.065 1.00 0.00 H new ATOM 0 HD12 LEU A2071 15.535 -12.230 -15.951 1.00 0.00 H new ATOM 0 HD13 LEU A2071 15.055 -13.942 -16.027 1.00 0.00 H new ATOM 0 HD21 LEU A2071 17.919 -14.994 -16.180 1.00 0.00 H new ATOM 0 HD22 LEU A2071 16.525 -15.593 -17.110 1.00 0.00 H new ATOM 0 HD23 LEU A2071 18.003 -15.076 -17.956 1.00 0.00 H new ATOM 196 N LEU A2072 16.552 -15.266 -20.821 1.00 0.00 N ATOM 197 CA LEU A2072 17.020 -16.547 -21.356 1.00 0.00 C ATOM 198 C LEU A2072 18.038 -16.355 -22.494 1.00 0.00 C ATOM 199 O LEU A2072 19.114 -16.953 -22.435 1.00 0.00 O ATOM 200 CB LEU A2072 15.825 -17.417 -21.791 1.00 0.00 C ATOM 201 CG LEU A2072 14.915 -17.868 -20.630 1.00 0.00 C ATOM 202 CD1 LEU A2072 13.665 -18.549 -21.193 1.00 0.00 C ATOM 203 CD2 LEU A2072 15.615 -18.856 -19.693 1.00 0.00 C ATOM 0 H LEU A2072 15.546 -15.125 -20.916 1.00 0.00 H new ATOM 0 HA LEU A2072 17.546 -17.074 -20.560 1.00 0.00 H new ATOM 0 HB2 LEU A2072 15.227 -16.859 -22.511 1.00 0.00 H new ATOM 0 HB3 LEU A2072 16.202 -18.300 -22.307 1.00 0.00 H new ATOM 0 HG LEU A2072 14.657 -16.975 -20.061 1.00 0.00 H new ATOM 0 HD11 LEU A2072 13.023 -18.867 -20.372 1.00 0.00 H new ATOM 0 HD12 LEU A2072 13.123 -17.847 -21.827 1.00 0.00 H new ATOM 0 HD13 LEU A2072 13.958 -19.418 -21.782 1.00 0.00 H new ATOM 0 HD21 LEU A2072 14.933 -19.143 -18.892 1.00 0.00 H new ATOM 0 HD22 LEU A2072 15.910 -19.743 -20.254 1.00 0.00 H new ATOM 0 HD23 LEU A2072 16.500 -18.386 -19.265 1.00 0.00 H new ATOM 215 N ARG A2073 17.771 -15.498 -23.497 1.00 0.00 N ATOM 216 CA ARG A2073 18.762 -15.242 -24.571 1.00 0.00 C ATOM 217 C ARG A2073 20.053 -14.607 -24.035 1.00 0.00 C ATOM 218 O ARG A2073 21.134 -14.874 -24.556 1.00 0.00 O ATOM 219 CB ARG A2073 18.163 -14.478 -25.770 1.00 0.00 C ATOM 220 CG ARG A2073 18.096 -12.951 -25.643 1.00 0.00 C ATOM 221 CD ARG A2073 17.616 -12.323 -26.957 1.00 0.00 C ATOM 222 NE ARG A2073 17.216 -10.920 -26.756 1.00 0.00 N ATOM 223 CZ ARG A2073 17.806 -9.812 -27.156 1.00 0.00 C ATOM 224 NH1 ARG A2073 18.923 -9.791 -27.828 1.00 0.00 N ATOM 225 NH2 ARG A2073 17.234 -8.685 -26.860 1.00 0.00 N ATOM 0 H ARG A2073 16.898 -14.979 -23.591 1.00 0.00 H new ATOM 0 HA ARG A2073 19.048 -16.218 -24.963 1.00 0.00 H new ATOM 0 HB2 ARG A2073 18.748 -14.721 -26.657 1.00 0.00 H new ATOM 0 HB3 ARG A2073 17.153 -14.851 -25.942 1.00 0.00 H new ATOM 0 HG2 ARG A2073 17.419 -12.677 -24.834 1.00 0.00 H new ATOM 0 HG3 ARG A2073 19.079 -12.558 -25.383 1.00 0.00 H new ATOM 0 HD2 ARG A2073 18.411 -12.375 -27.701 1.00 0.00 H new ATOM 0 HD3 ARG A2073 16.774 -12.892 -27.350 1.00 0.00 H new ATOM 0 HE ARG A2073 16.353 -10.786 -26.228 1.00 0.00 H new ATOM 0 HH11 ARG A2073 19.388 -10.665 -28.072 1.00 0.00 H new ATOM 0 HH12 ARG A2073 19.332 -8.900 -28.110 1.00 0.00 H new ATOM 0 HH21 ARG A2073 16.359 -8.679 -26.336 1.00 0.00 H new ATOM 0 HH22 ARG A2073 17.659 -7.805 -27.152 1.00 0.00 H new ATOM 239 N THR A2074 19.943 -13.807 -22.972 1.00 0.00 N ATOM 240 CA THR A2074 21.080 -13.171 -22.285 1.00 0.00 C ATOM 241 C THR A2074 21.925 -14.210 -21.538 1.00 0.00 C ATOM 242 O THR A2074 23.150 -14.158 -21.606 1.00 0.00 O ATOM 243 CB THR A2074 20.588 -12.071 -21.336 1.00 0.00 C ATOM 244 OG1 THR A2074 19.913 -11.094 -22.102 1.00 0.00 O ATOM 245 CG2 THR A2074 21.719 -11.376 -20.585 1.00 0.00 C ATOM 0 H THR A2074 19.043 -13.575 -22.552 1.00 0.00 H new ATOM 0 HA THR A2074 21.718 -12.709 -23.038 1.00 0.00 H new ATOM 0 HB THR A2074 19.942 -12.546 -20.598 1.00 0.00 H new ATOM 0 HG1 THR A2074 19.001 -11.399 -22.291 1.00 0.00 H new ATOM 0 HG21 THR A2074 21.304 -10.609 -19.931 1.00 0.00 H new ATOM 0 HG22 THR A2074 22.262 -12.108 -19.987 1.00 0.00 H new ATOM 0 HG23 THR A2074 22.400 -10.914 -21.300 1.00 0.00 H new ATOM 253 N LEU A2075 21.308 -15.193 -20.871 1.00 0.00 N ATOM 254 CA LEU A2075 22.024 -16.300 -20.218 1.00 0.00 C ATOM 255 C LEU A2075 22.781 -17.144 -21.268 1.00 0.00 C ATOM 256 O LEU A2075 23.915 -17.565 -21.033 1.00 0.00 O ATOM 257 CB LEU A2075 21.010 -17.137 -19.408 1.00 0.00 C ATOM 258 CG LEU A2075 21.529 -18.479 -18.848 1.00 0.00 C ATOM 259 CD1 LEU A2075 22.759 -18.348 -17.946 1.00 0.00 C ATOM 260 CD2 LEU A2075 20.424 -19.159 -18.042 1.00 0.00 C ATOM 0 H LEU A2075 20.295 -15.245 -20.768 1.00 0.00 H new ATOM 0 HA LEU A2075 22.775 -15.914 -19.529 1.00 0.00 H new ATOM 0 HB2 LEU A2075 20.655 -16.532 -18.574 1.00 0.00 H new ATOM 0 HB3 LEU A2075 20.148 -17.341 -20.044 1.00 0.00 H new ATOM 0 HG LEU A2075 21.824 -19.066 -19.717 1.00 0.00 H new ATOM 0 HD11 LEU A2075 23.059 -19.335 -17.595 1.00 0.00 H new ATOM 0 HD12 LEU A2075 23.577 -17.899 -18.509 1.00 0.00 H new ATOM 0 HD13 LEU A2075 22.518 -17.717 -17.091 1.00 0.00 H new ATOM 0 HD21 LEU A2075 20.792 -20.106 -17.647 1.00 0.00 H new ATOM 0 HD22 LEU A2075 20.126 -18.513 -17.216 1.00 0.00 H new ATOM 0 HD23 LEU A2075 19.565 -19.344 -18.687 1.00 0.00 H new ATOM 272 N LYS A2076 22.174 -17.361 -22.443 1.00 0.00 N ATOM 273 CA LYS A2076 22.725 -18.108 -23.592 1.00 0.00 C ATOM 274 C LYS A2076 23.815 -17.344 -24.383 1.00 0.00 C ATOM 275 O LYS A2076 23.808 -17.331 -25.617 1.00 0.00 O ATOM 276 CB LYS A2076 21.561 -18.583 -24.492 1.00 0.00 C ATOM 277 CG LYS A2076 20.606 -19.593 -23.830 1.00 0.00 C ATOM 278 CD LYS A2076 21.284 -20.932 -23.511 1.00 0.00 C ATOM 279 CE LYS A2076 20.264 -21.923 -22.944 1.00 0.00 C ATOM 280 NZ LYS A2076 20.924 -23.189 -22.541 1.00 0.00 N ATOM 0 H LYS A2076 21.237 -17.004 -22.632 1.00 0.00 H new ATOM 0 HA LYS A2076 23.254 -18.975 -23.197 1.00 0.00 H new ATOM 0 HB2 LYS A2076 20.986 -17.713 -24.808 1.00 0.00 H new ATOM 0 HB3 LYS A2076 21.977 -19.034 -25.393 1.00 0.00 H new ATOM 0 HG2 LYS A2076 20.211 -19.163 -22.910 1.00 0.00 H new ATOM 0 HG3 LYS A2076 19.757 -19.769 -24.490 1.00 0.00 H new ATOM 0 HD2 LYS A2076 21.737 -21.342 -24.414 1.00 0.00 H new ATOM 0 HD3 LYS A2076 22.089 -20.778 -22.793 1.00 0.00 H new ATOM 0 HE2 LYS A2076 19.760 -21.481 -22.084 1.00 0.00 H new ATOM 0 HE3 LYS A2076 19.497 -22.129 -23.691 1.00 0.00 H new ATOM 0 HZ1 LYS A2076 20.213 -23.845 -22.160 1.00 0.00 H new ATOM 0 HZ2 LYS A2076 21.384 -23.619 -23.369 1.00 0.00 H new ATOM 0 HZ3 LYS A2076 21.639 -22.991 -21.812 1.00 0.00 H new ATOM 294 N SER A2077 24.770 -16.721 -23.690 1.00 0.00 N ATOM 295 CA SER A2077 25.911 -15.993 -24.276 1.00 0.00 C ATOM 296 C SER A2077 27.181 -16.121 -23.398 1.00 0.00 C ATOM 297 O SER A2077 27.074 -16.506 -22.226 1.00 0.00 O ATOM 298 CB SER A2077 25.514 -14.529 -24.545 1.00 0.00 C ATOM 299 OG SER A2077 25.597 -13.719 -23.389 1.00 0.00 O ATOM 0 H SER A2077 24.776 -16.705 -22.670 1.00 0.00 H new ATOM 0 HA SER A2077 26.168 -16.447 -25.233 1.00 0.00 H new ATOM 0 HB2 SER A2077 26.162 -14.118 -25.319 1.00 0.00 H new ATOM 0 HB3 SER A2077 24.496 -14.498 -24.932 1.00 0.00 H new ATOM 0 HG SER A2077 24.800 -13.856 -22.836 1.00 0.00 H new ATOM 305 N PRO A2078 28.396 -15.858 -23.927 1.00 0.00 N ATOM 306 CA PRO A2078 29.641 -15.998 -23.166 1.00 0.00 C ATOM 307 C PRO A2078 29.869 -14.851 -22.165 1.00 0.00 C ATOM 308 O PRO A2078 29.354 -13.740 -22.326 1.00 0.00 O ATOM 309 CB PRO A2078 30.748 -16.043 -24.224 1.00 0.00 C ATOM 310 CG PRO A2078 30.193 -15.168 -25.346 1.00 0.00 C ATOM 311 CD PRO A2078 28.690 -15.445 -25.294 1.00 0.00 C ATOM 0 HA PRO A2078 29.617 -16.895 -22.547 1.00 0.00 H new ATOM 0 HB2 PRO A2078 31.690 -15.654 -23.838 1.00 0.00 H new ATOM 0 HB3 PRO A2078 30.939 -17.061 -24.564 1.00 0.00 H new ATOM 0 HG2 PRO A2078 30.414 -14.113 -25.181 1.00 0.00 H new ATOM 0 HG3 PRO A2078 30.619 -15.435 -26.313 1.00 0.00 H new ATOM 0 HD2 PRO A2078 28.121 -14.555 -25.562 1.00 0.00 H new ATOM 0 HD3 PRO A2078 28.414 -16.225 -26.004 1.00 0.00 H new ATOM 319 N SER A2079 30.686 -15.122 -21.141 1.00 0.00 N ATOM 320 CA SER A2079 31.078 -14.183 -20.076 1.00 0.00 C ATOM 321 C SER A2079 31.676 -12.884 -20.638 1.00 0.00 C ATOM 322 O SER A2079 32.796 -12.884 -21.159 1.00 0.00 O ATOM 323 CB SER A2079 32.099 -14.848 -19.140 1.00 0.00 C ATOM 324 OG SER A2079 31.599 -16.073 -18.627 1.00 0.00 O ATOM 0 H SER A2079 31.112 -16.041 -21.024 1.00 0.00 H new ATOM 0 HA SER A2079 30.174 -13.925 -19.525 1.00 0.00 H new ATOM 0 HB2 SER A2079 33.028 -15.029 -19.680 1.00 0.00 H new ATOM 0 HB3 SER A2079 32.335 -14.174 -18.316 1.00 0.00 H new ATOM 0 HG SER A2079 32.268 -16.477 -18.036 1.00 0.00 H new ATOM 330 N SER A2080 30.934 -11.776 -20.552 1.00 0.00 N ATOM 331 CA SER A2080 31.356 -10.462 -21.065 1.00 0.00 C ATOM 332 C SER A2080 30.582 -9.294 -20.424 1.00 0.00 C ATOM 333 O SER A2080 29.472 -9.501 -19.917 1.00 0.00 O ATOM 334 CB SER A2080 31.137 -10.418 -22.588 1.00 0.00 C ATOM 335 OG SER A2080 29.758 -10.492 -22.912 1.00 0.00 O ATOM 0 H SER A2080 30.011 -11.763 -20.119 1.00 0.00 H new ATOM 0 HA SER A2080 32.409 -10.342 -20.811 1.00 0.00 H new ATOM 0 HB2 SER A2080 31.559 -9.498 -22.992 1.00 0.00 H new ATOM 0 HB3 SER A2080 31.668 -11.245 -23.058 1.00 0.00 H new ATOM 0 HG SER A2080 29.444 -11.413 -22.797 1.00 0.00 H new ATOM 341 N PRO A2081 31.105 -8.050 -20.471 1.00 0.00 N ATOM 342 CA PRO A2081 30.379 -6.873 -19.981 1.00 0.00 C ATOM 343 C PRO A2081 29.048 -6.668 -20.727 1.00 0.00 C ATOM 344 O PRO A2081 28.088 -6.161 -20.152 1.00 0.00 O ATOM 345 CB PRO A2081 31.305 -5.672 -20.219 1.00 0.00 C ATOM 346 CG PRO A2081 32.688 -6.288 -20.410 1.00 0.00 C ATOM 347 CD PRO A2081 32.393 -7.652 -21.020 1.00 0.00 C ATOM 0 HA PRO A2081 30.126 -6.996 -18.928 1.00 0.00 H new ATOM 0 HB2 PRO A2081 30.999 -5.103 -21.097 1.00 0.00 H new ATOM 0 HB3 PRO A2081 31.290 -4.985 -19.373 1.00 0.00 H new ATOM 0 HG2 PRO A2081 33.310 -5.681 -21.068 1.00 0.00 H new ATOM 0 HG3 PRO A2081 33.220 -6.379 -19.463 1.00 0.00 H new ATOM 0 HD2 PRO A2081 32.356 -7.596 -22.108 1.00 0.00 H new ATOM 0 HD3 PRO A2081 33.169 -8.373 -20.764 1.00 0.00 H new ATOM 355 N GLN A2082 28.967 -7.086 -21.999 1.00 0.00 N ATOM 356 CA GLN A2082 27.747 -7.002 -22.817 1.00 0.00 C ATOM 357 C GLN A2082 26.612 -7.847 -22.218 1.00 0.00 C ATOM 358 O GLN A2082 25.467 -7.395 -22.174 1.00 0.00 O ATOM 359 CB GLN A2082 28.022 -7.435 -24.267 1.00 0.00 C ATOM 360 CG GLN A2082 28.806 -6.397 -25.089 1.00 0.00 C ATOM 361 CD GLN A2082 30.246 -6.195 -24.624 1.00 0.00 C ATOM 362 OE1 GLN A2082 30.646 -5.130 -24.171 1.00 0.00 O ATOM 363 NE2 GLN A2082 31.077 -7.213 -24.691 1.00 0.00 N ATOM 0 H GLN A2082 29.757 -7.497 -22.495 1.00 0.00 H new ATOM 0 HA GLN A2082 27.431 -5.959 -22.821 1.00 0.00 H new ATOM 0 HB2 GLN A2082 28.579 -8.372 -24.257 1.00 0.00 H new ATOM 0 HB3 GLN A2082 27.072 -7.634 -24.763 1.00 0.00 H new ATOM 0 HG2 GLN A2082 28.813 -6.706 -26.134 1.00 0.00 H new ATOM 0 HG3 GLN A2082 28.283 -5.442 -25.043 1.00 0.00 H new ATOM 0 HE21 GLN A2082 30.759 -8.107 -25.066 1.00 0.00 H new ATOM 0 HE22 GLN A2082 32.039 -7.108 -24.368 1.00 0.00 H new ATOM 372 N GLN A2083 26.921 -9.043 -21.700 1.00 0.00 N ATOM 373 CA GLN A2083 25.945 -9.901 -21.018 1.00 0.00 C ATOM 374 C GLN A2083 25.397 -9.193 -19.768 1.00 0.00 C ATOM 375 O GLN A2083 24.188 -9.147 -19.551 1.00 0.00 O ATOM 376 CB GLN A2083 26.614 -11.243 -20.670 1.00 0.00 C ATOM 377 CG GLN A2083 25.639 -12.243 -20.036 1.00 0.00 C ATOM 378 CD GLN A2083 26.283 -13.617 -19.854 1.00 0.00 C ATOM 379 OE1 GLN A2083 27.313 -13.777 -19.211 1.00 0.00 O ATOM 380 NE2 GLN A2083 25.695 -14.652 -20.404 1.00 0.00 N ATOM 0 H GLN A2083 27.858 -9.443 -21.743 1.00 0.00 H new ATOM 0 HA GLN A2083 25.097 -10.099 -21.673 1.00 0.00 H new ATOM 0 HB2 GLN A2083 27.038 -11.679 -21.575 1.00 0.00 H new ATOM 0 HB3 GLN A2083 27.442 -11.065 -19.984 1.00 0.00 H new ATOM 0 HG2 GLN A2083 25.307 -11.865 -19.069 1.00 0.00 H new ATOM 0 HG3 GLN A2083 24.753 -12.336 -20.664 1.00 0.00 H new ATOM 0 HE21 GLN A2083 24.837 -14.525 -20.941 1.00 0.00 H new ATOM 0 HE22 GLN A2083 26.096 -15.584 -20.295 1.00 0.00 H new ATOM 389 N GLN A2084 26.280 -8.580 -18.974 1.00 0.00 N ATOM 390 CA GLN A2084 25.909 -7.810 -17.780 1.00 0.00 C ATOM 391 C GLN A2084 25.064 -6.578 -18.140 1.00 0.00 C ATOM 392 O GLN A2084 24.071 -6.294 -17.469 1.00 0.00 O ATOM 393 CB GLN A2084 27.177 -7.407 -17.019 1.00 0.00 C ATOM 394 CG GLN A2084 27.948 -8.635 -16.514 1.00 0.00 C ATOM 395 CD GLN A2084 29.218 -8.235 -15.774 1.00 0.00 C ATOM 396 OE1 GLN A2084 30.102 -7.569 -16.297 1.00 0.00 O ATOM 397 NE2 GLN A2084 29.367 -8.621 -14.529 1.00 0.00 N ATOM 0 H GLN A2084 27.286 -8.604 -19.143 1.00 0.00 H new ATOM 0 HA GLN A2084 25.292 -8.439 -17.139 1.00 0.00 H new ATOM 0 HB2 GLN A2084 27.820 -6.815 -17.670 1.00 0.00 H new ATOM 0 HB3 GLN A2084 26.909 -6.772 -16.174 1.00 0.00 H new ATOM 0 HG2 GLN A2084 27.309 -9.219 -15.852 1.00 0.00 H new ATOM 0 HG3 GLN A2084 28.204 -9.276 -17.357 1.00 0.00 H new ATOM 0 HE21 GLN A2084 28.641 -9.177 -14.077 1.00 0.00 H new ATOM 0 HE22 GLN A2084 30.209 -8.366 -14.013 1.00 0.00 H new ATOM 406 N GLN A2085 25.408 -5.868 -19.223 1.00 0.00 N ATOM 407 CA GLN A2085 24.631 -4.729 -19.717 1.00 0.00 C ATOM 408 C GLN A2085 23.226 -5.175 -20.143 1.00 0.00 C ATOM 409 O GLN A2085 22.256 -4.488 -19.837 1.00 0.00 O ATOM 410 CB GLN A2085 25.371 -4.025 -20.867 1.00 0.00 C ATOM 411 CG GLN A2085 24.686 -2.710 -21.282 1.00 0.00 C ATOM 412 CD GLN A2085 24.675 -1.670 -20.159 1.00 0.00 C ATOM 413 OE1 GLN A2085 25.708 -1.226 -19.675 1.00 0.00 O ATOM 414 NE2 GLN A2085 23.521 -1.245 -19.693 1.00 0.00 N ATOM 0 H GLN A2085 26.237 -6.070 -19.782 1.00 0.00 H new ATOM 0 HA GLN A2085 24.518 -4.009 -18.906 1.00 0.00 H new ATOM 0 HB2 GLN A2085 26.397 -3.818 -20.563 1.00 0.00 H new ATOM 0 HB3 GLN A2085 25.422 -4.693 -21.727 1.00 0.00 H new ATOM 0 HG2 GLN A2085 25.199 -2.296 -22.150 1.00 0.00 H new ATOM 0 HG3 GLN A2085 23.661 -2.920 -21.588 1.00 0.00 H new ATOM 0 HE21 GLN A2085 22.650 -1.604 -20.084 1.00 0.00 H new ATOM 0 HE22 GLN A2085 23.497 -0.557 -18.941 1.00 0.00 H new ATOM 423 N GLN A2086 23.089 -6.337 -20.790 1.00 0.00 N ATOM 424 CA GLN A2086 21.782 -6.900 -21.139 1.00 0.00 C ATOM 425 C GLN A2086 20.953 -7.173 -19.873 1.00 0.00 C ATOM 426 O GLN A2086 19.790 -6.774 -19.819 1.00 0.00 O ATOM 427 CB GLN A2086 21.957 -8.182 -21.967 1.00 0.00 C ATOM 428 CG GLN A2086 21.812 -7.962 -23.476 1.00 0.00 C ATOM 429 CD GLN A2086 20.371 -7.639 -23.873 1.00 0.00 C ATOM 430 OE1 GLN A2086 20.051 -6.547 -24.325 1.00 0.00 O ATOM 431 NE2 GLN A2086 19.447 -8.558 -23.691 1.00 0.00 N ATOM 0 H GLN A2086 23.878 -6.911 -21.085 1.00 0.00 H new ATOM 0 HA GLN A2086 21.241 -6.173 -21.744 1.00 0.00 H new ATOM 0 HB2 GLN A2086 22.941 -8.605 -21.763 1.00 0.00 H new ATOM 0 HB3 GLN A2086 21.220 -8.917 -21.643 1.00 0.00 H new ATOM 0 HG2 GLN A2086 22.465 -7.147 -23.788 1.00 0.00 H new ATOM 0 HG3 GLN A2086 22.142 -8.855 -24.006 1.00 0.00 H new ATOM 0 HE21 GLN A2086 19.703 -9.471 -23.315 1.00 0.00 H new ATOM 0 HE22 GLN A2086 18.475 -8.357 -23.926 1.00 0.00 H new ATOM 440 N VAL A2087 21.543 -7.784 -18.835 1.00 0.00 N ATOM 441 CA VAL A2087 20.858 -8.016 -17.547 1.00 0.00 C ATOM 442 C VAL A2087 20.388 -6.682 -16.947 1.00 0.00 C ATOM 443 O VAL A2087 19.214 -6.555 -16.609 1.00 0.00 O ATOM 444 CB VAL A2087 21.742 -8.806 -16.558 1.00 0.00 C ATOM 445 CG1 VAL A2087 21.079 -8.964 -15.185 1.00 0.00 C ATOM 446 CG2 VAL A2087 22.027 -10.223 -17.069 1.00 0.00 C ATOM 0 H VAL A2087 22.502 -8.131 -18.860 1.00 0.00 H new ATOM 0 HA VAL A2087 19.980 -8.633 -17.738 1.00 0.00 H new ATOM 0 HB VAL A2087 22.661 -8.227 -16.470 1.00 0.00 H new ATOM 0 HG11 VAL A2087 21.739 -9.526 -14.525 1.00 0.00 H new ATOM 0 HG12 VAL A2087 20.890 -7.980 -14.757 1.00 0.00 H new ATOM 0 HG13 VAL A2087 20.136 -9.499 -15.296 1.00 0.00 H new ATOM 0 HG21 VAL A2087 22.652 -10.751 -16.348 1.00 0.00 H new ATOM 0 HG22 VAL A2087 21.087 -10.760 -17.196 1.00 0.00 H new ATOM 0 HG23 VAL A2087 22.545 -10.167 -18.026 1.00 0.00 H new ATOM 456 N LEU A2088 21.257 -5.664 -16.878 1.00 0.00 N ATOM 457 CA LEU A2088 20.909 -4.312 -16.409 1.00 0.00 C ATOM 458 C LEU A2088 19.762 -3.706 -17.238 1.00 0.00 C ATOM 459 O LEU A2088 18.815 -3.176 -16.661 1.00 0.00 O ATOM 460 CB LEU A2088 22.158 -3.406 -16.489 1.00 0.00 C ATOM 461 CG LEU A2088 23.205 -3.665 -15.392 1.00 0.00 C ATOM 462 CD1 LEU A2088 24.557 -3.068 -15.780 1.00 0.00 C ATOM 463 CD2 LEU A2088 22.779 -3.034 -14.062 1.00 0.00 C ATOM 0 H LEU A2088 22.236 -5.756 -17.150 1.00 0.00 H new ATOM 0 HA LEU A2088 20.568 -4.382 -15.376 1.00 0.00 H new ATOM 0 HB2 LEU A2088 22.629 -3.543 -17.463 1.00 0.00 H new ATOM 0 HB3 LEU A2088 21.840 -2.365 -16.432 1.00 0.00 H new ATOM 0 HG LEU A2088 23.287 -4.746 -15.282 1.00 0.00 H new ATOM 0 HD11 LEU A2088 25.281 -3.263 -14.989 1.00 0.00 H new ATOM 0 HD12 LEU A2088 24.902 -3.522 -16.709 1.00 0.00 H new ATOM 0 HD13 LEU A2088 24.453 -1.992 -15.919 1.00 0.00 H new ATOM 0 HD21 LEU A2088 23.538 -3.233 -13.305 1.00 0.00 H new ATOM 0 HD22 LEU A2088 22.667 -1.957 -14.189 1.00 0.00 H new ATOM 0 HD23 LEU A2088 21.828 -3.462 -13.744 1.00 0.00 H new ATOM 475 N ASN A2089 19.811 -3.795 -18.572 1.00 0.00 N ATOM 476 CA ASN A2089 18.774 -3.262 -19.465 1.00 0.00 C ATOM 477 C ASN A2089 17.401 -3.906 -19.197 1.00 0.00 C ATOM 478 O ASN A2089 16.398 -3.202 -19.045 1.00 0.00 O ATOM 479 CB ASN A2089 19.170 -3.482 -20.942 1.00 0.00 C ATOM 480 CG ASN A2089 20.367 -2.686 -21.438 1.00 0.00 C ATOM 481 OD1 ASN A2089 20.905 -1.802 -20.784 1.00 0.00 O ATOM 482 ND2 ASN A2089 20.820 -2.974 -22.638 1.00 0.00 N ATOM 0 H ASN A2089 20.581 -4.244 -19.068 1.00 0.00 H new ATOM 0 HA ASN A2089 18.692 -2.194 -19.264 1.00 0.00 H new ATOM 0 HB2 ASN A2089 19.378 -4.542 -21.087 1.00 0.00 H new ATOM 0 HB3 ASN A2089 18.312 -3.237 -21.568 1.00 0.00 H new ATOM 0 HD21 ASN A2089 21.616 -2.462 -23.019 1.00 0.00 H new ATOM 0 HD22 ASN A2089 20.376 -3.710 -23.188 1.00 0.00 H new ATOM 489 N ILE A2090 17.359 -5.241 -19.123 1.00 0.00 N ATOM 490 CA ILE A2090 16.141 -6.019 -18.862 1.00 0.00 C ATOM 491 C ILE A2090 15.588 -5.680 -17.475 1.00 0.00 C ATOM 492 O ILE A2090 14.421 -5.303 -17.346 1.00 0.00 O ATOM 493 CB ILE A2090 16.441 -7.534 -18.988 1.00 0.00 C ATOM 494 CG1 ILE A2090 16.818 -7.909 -20.440 1.00 0.00 C ATOM 495 CG2 ILE A2090 15.238 -8.392 -18.545 1.00 0.00 C ATOM 496 CD1 ILE A2090 17.562 -9.247 -20.526 1.00 0.00 C ATOM 0 H ILE A2090 18.187 -5.823 -19.245 1.00 0.00 H new ATOM 0 HA ILE A2090 15.384 -5.760 -19.602 1.00 0.00 H new ATOM 0 HB ILE A2090 17.284 -7.741 -18.329 1.00 0.00 H new ATOM 0 HG12 ILE A2090 15.913 -7.961 -21.045 1.00 0.00 H new ATOM 0 HG13 ILE A2090 17.441 -7.122 -20.865 1.00 0.00 H new ATOM 0 HG21 ILE A2090 15.487 -9.448 -18.648 1.00 0.00 H new ATOM 0 HG22 ILE A2090 15.000 -8.175 -17.504 1.00 0.00 H new ATOM 0 HG23 ILE A2090 14.376 -8.160 -19.170 1.00 0.00 H new ATOM 0 HD11 ILE A2090 17.803 -9.463 -21.567 1.00 0.00 H new ATOM 0 HD12 ILE A2090 18.482 -9.190 -19.945 1.00 0.00 H new ATOM 0 HD13 ILE A2090 16.930 -10.041 -20.128 1.00 0.00 H new ATOM 508 N LEU A2091 16.420 -5.790 -16.438 1.00 0.00 N ATOM 509 CA LEU A2091 16.029 -5.541 -15.053 1.00 0.00 C ATOM 510 C LEU A2091 15.583 -4.092 -14.794 1.00 0.00 C ATOM 511 O LEU A2091 14.550 -3.897 -14.154 1.00 0.00 O ATOM 512 CB LEU A2091 17.171 -5.977 -14.121 1.00 0.00 C ATOM 513 CG LEU A2091 17.435 -7.496 -14.034 1.00 0.00 C ATOM 514 CD1 LEU A2091 18.523 -7.757 -12.992 1.00 0.00 C ATOM 515 CD2 LEU A2091 16.205 -8.310 -13.625 1.00 0.00 C ATOM 0 H LEU A2091 17.399 -6.059 -16.540 1.00 0.00 H new ATOM 0 HA LEU A2091 15.144 -6.140 -14.840 1.00 0.00 H new ATOM 0 HB2 LEU A2091 18.088 -5.488 -14.450 1.00 0.00 H new ATOM 0 HB3 LEU A2091 16.955 -5.608 -13.118 1.00 0.00 H new ATOM 0 HG LEU A2091 17.730 -7.811 -15.035 1.00 0.00 H new ATOM 0 HD11 LEU A2091 18.714 -8.828 -12.926 1.00 0.00 H new ATOM 0 HD12 LEU A2091 19.438 -7.243 -13.285 1.00 0.00 H new ATOM 0 HD13 LEU A2091 18.193 -7.387 -12.021 1.00 0.00 H new ATOM 0 HD21 LEU A2091 16.466 -9.368 -13.585 1.00 0.00 H new ATOM 0 HD22 LEU A2091 15.862 -7.983 -12.643 1.00 0.00 H new ATOM 0 HD23 LEU A2091 15.410 -8.160 -14.355 1.00 0.00 H new ATOM 527 N LYS A2092 16.273 -3.067 -15.321 1.00 0.00 N ATOM 528 CA LYS A2092 15.843 -1.662 -15.153 1.00 0.00 C ATOM 529 C LYS A2092 14.501 -1.366 -15.839 1.00 0.00 C ATOM 530 O LYS A2092 13.759 -0.501 -15.372 1.00 0.00 O ATOM 531 CB LYS A2092 16.942 -0.685 -15.592 1.00 0.00 C ATOM 532 CG LYS A2092 18.089 -0.672 -14.560 1.00 0.00 C ATOM 533 CD LYS A2092 19.097 0.467 -14.772 1.00 0.00 C ATOM 534 CE LYS A2092 18.421 1.833 -14.587 1.00 0.00 C ATOM 535 NZ LYS A2092 19.398 2.950 -14.626 1.00 0.00 N ATOM 0 H LYS A2092 17.128 -3.180 -15.865 1.00 0.00 H new ATOM 0 HA LYS A2092 15.675 -1.510 -14.087 1.00 0.00 H new ATOM 0 HB2 LYS A2092 17.327 -0.975 -16.570 1.00 0.00 H new ATOM 0 HB3 LYS A2092 16.527 0.317 -15.697 1.00 0.00 H new ATOM 0 HG2 LYS A2092 17.665 -0.588 -13.559 1.00 0.00 H new ATOM 0 HG3 LYS A2092 18.616 -1.625 -14.604 1.00 0.00 H new ATOM 0 HD2 LYS A2092 19.921 0.365 -14.066 1.00 0.00 H new ATOM 0 HD3 LYS A2092 19.524 0.400 -15.773 1.00 0.00 H new ATOM 0 HE2 LYS A2092 17.675 1.977 -15.369 1.00 0.00 H new ATOM 0 HE3 LYS A2092 17.891 1.849 -13.635 1.00 0.00 H new ATOM 0 HZ1 LYS A2092 18.898 3.853 -14.497 1.00 0.00 H new ATOM 0 HZ2 LYS A2092 20.095 2.828 -13.864 1.00 0.00 H new ATOM 0 HZ3 LYS A2092 19.886 2.952 -15.544 1.00 0.00 H new ATOM 549 N SER A2093 14.156 -2.115 -16.890 1.00 0.00 N ATOM 550 CA SER A2093 12.856 -2.031 -17.583 1.00 0.00 C ATOM 551 C SER A2093 11.766 -2.879 -16.896 1.00 0.00 C ATOM 552 O SER A2093 10.598 -2.815 -17.280 1.00 0.00 O ATOM 553 CB SER A2093 12.996 -2.485 -19.043 1.00 0.00 C ATOM 554 OG SER A2093 13.963 -1.704 -19.727 1.00 0.00 O ATOM 0 H SER A2093 14.781 -2.812 -17.295 1.00 0.00 H new ATOM 0 HA SER A2093 12.549 -0.986 -17.541 1.00 0.00 H new ATOM 0 HB2 SER A2093 13.283 -3.536 -19.075 1.00 0.00 H new ATOM 0 HB3 SER A2093 12.033 -2.402 -19.547 1.00 0.00 H new ATOM 0 HG SER A2093 14.855 -2.081 -19.575 1.00 0.00 H new ATOM 560 N ASN A2094 12.132 -3.670 -15.876 1.00 0.00 N ATOM 561 CA ASN A2094 11.267 -4.569 -15.106 1.00 0.00 C ATOM 562 C ASN A2094 11.523 -4.385 -13.587 1.00 0.00 C ATOM 563 O ASN A2094 11.985 -5.309 -12.907 1.00 0.00 O ATOM 564 CB ASN A2094 11.480 -6.015 -15.595 1.00 0.00 C ATOM 565 CG ASN A2094 10.963 -6.235 -17.003 1.00 0.00 C ATOM 566 OD1 ASN A2094 9.859 -6.711 -17.212 1.00 0.00 O ATOM 567 ND2 ASN A2094 11.746 -5.915 -18.004 1.00 0.00 N ATOM 0 H ASN A2094 13.098 -3.699 -15.549 1.00 0.00 H new ATOM 0 HA ASN A2094 10.217 -4.326 -15.267 1.00 0.00 H new ATOM 0 HB2 ASN A2094 12.543 -6.254 -15.561 1.00 0.00 H new ATOM 0 HB3 ASN A2094 10.977 -6.703 -14.915 1.00 0.00 H new ATOM 0 HD21 ASN A2094 11.434 -6.063 -18.964 1.00 0.00 H new ATOM 0 HD22 ASN A2094 12.668 -5.517 -17.824 1.00 0.00 H new ATOM 574 N PRO A2095 11.241 -3.186 -13.037 1.00 0.00 N ATOM 575 CA PRO A2095 11.520 -2.835 -11.639 1.00 0.00 C ATOM 576 C PRO A2095 10.859 -3.753 -10.610 1.00 0.00 C ATOM 577 O PRO A2095 11.480 -4.075 -9.602 1.00 0.00 O ATOM 578 CB PRO A2095 11.038 -1.385 -11.479 1.00 0.00 C ATOM 579 CG PRO A2095 9.996 -1.242 -12.587 1.00 0.00 C ATOM 580 CD PRO A2095 10.635 -2.045 -13.710 1.00 0.00 C ATOM 0 HA PRO A2095 12.585 -2.954 -11.440 1.00 0.00 H new ATOM 0 HB2 PRO A2095 10.605 -1.210 -10.494 1.00 0.00 H new ATOM 0 HB3 PRO A2095 11.855 -0.673 -11.599 1.00 0.00 H new ATOM 0 HG2 PRO A2095 9.027 -1.646 -12.294 1.00 0.00 H new ATOM 0 HG3 PRO A2095 9.835 -0.201 -12.867 1.00 0.00 H new ATOM 0 HD2 PRO A2095 9.894 -2.363 -14.443 1.00 0.00 H new ATOM 0 HD3 PRO A2095 11.381 -1.457 -14.245 1.00 0.00 H new ATOM 588 N GLN A2096 9.614 -4.183 -10.843 1.00 0.00 N ATOM 589 CA GLN A2096 8.861 -5.035 -9.909 1.00 0.00 C ATOM 590 C GLN A2096 9.597 -6.344 -9.560 1.00 0.00 C ATOM 591 O GLN A2096 9.632 -6.723 -8.390 1.00 0.00 O ATOM 592 CB GLN A2096 7.401 -5.167 -10.407 1.00 0.00 C ATOM 593 CG GLN A2096 6.749 -6.549 -10.616 1.00 0.00 C ATOM 594 CD GLN A2096 7.422 -7.510 -11.597 1.00 0.00 C ATOM 595 OE1 GLN A2096 8.077 -7.032 -12.635 1.00 0.00 O flip ATOM 596 NE2 GLN A2096 7.370 -8.720 -11.444 1.00 0.00 N flip ATOM 0 H GLN A2096 9.095 -3.949 -11.690 1.00 0.00 H new ATOM 0 HA GLN A2096 8.799 -4.559 -8.930 1.00 0.00 H new ATOM 0 HB2 GLN A2096 6.774 -4.623 -9.701 1.00 0.00 H new ATOM 0 HB3 GLN A2096 7.341 -4.640 -11.359 1.00 0.00 H new ATOM 0 HG2 GLN A2096 6.693 -7.044 -9.646 1.00 0.00 H new ATOM 0 HG3 GLN A2096 5.724 -6.389 -10.952 1.00 0.00 H new ATOM 0 HE21 GLN A2096 6.868 -9.112 -10.647 1.00 0.00 H new ATOM 0 HE22 GLN A2096 7.828 -9.339 -12.113 1.00 0.00 H new ATOM 605 N LEU A2097 10.225 -7.010 -10.538 1.00 0.00 N ATOM 606 CA LEU A2097 11.022 -8.224 -10.286 1.00 0.00 C ATOM 607 C LEU A2097 12.460 -7.910 -9.844 1.00 0.00 C ATOM 608 O LEU A2097 13.001 -8.607 -8.985 1.00 0.00 O ATOM 609 CB LEU A2097 10.917 -9.241 -11.443 1.00 0.00 C ATOM 610 CG LEU A2097 11.234 -8.794 -12.883 1.00 0.00 C ATOM 611 CD1 LEU A2097 12.728 -8.719 -13.204 1.00 0.00 C ATOM 612 CD2 LEU A2097 10.626 -9.789 -13.875 1.00 0.00 C ATOM 0 H LEU A2097 10.198 -6.728 -11.518 1.00 0.00 H new ATOM 0 HA LEU A2097 10.578 -8.726 -9.426 1.00 0.00 H new ATOM 0 HB2 LEU A2097 11.581 -10.073 -11.207 1.00 0.00 H new ATOM 0 HB3 LEU A2097 9.900 -9.634 -11.440 1.00 0.00 H new ATOM 0 HG LEU A2097 10.814 -7.792 -12.969 1.00 0.00 H new ATOM 0 HD11 LEU A2097 12.863 -8.397 -14.237 1.00 0.00 H new ATOM 0 HD12 LEU A2097 13.208 -8.005 -12.535 1.00 0.00 H new ATOM 0 HD13 LEU A2097 13.179 -9.702 -13.069 1.00 0.00 H new ATOM 0 HD21 LEU A2097 10.851 -9.471 -14.893 1.00 0.00 H new ATOM 0 HD22 LEU A2097 11.048 -10.779 -13.702 1.00 0.00 H new ATOM 0 HD23 LEU A2097 9.545 -9.826 -13.737 1.00 0.00 H new ATOM 624 N MET A2098 13.071 -6.847 -10.380 1.00 0.00 N ATOM 625 CA MET A2098 14.439 -6.449 -10.035 1.00 0.00 C ATOM 626 C MET A2098 14.558 -5.985 -8.581 1.00 0.00 C ATOM 627 O MET A2098 15.415 -6.472 -7.844 1.00 0.00 O ATOM 628 CB MET A2098 14.897 -5.327 -10.976 1.00 0.00 C ATOM 629 CG MET A2098 16.337 -4.903 -10.670 1.00 0.00 C ATOM 630 SD MET A2098 16.838 -3.363 -11.473 1.00 0.00 S ATOM 631 CE MET A2098 17.349 -2.497 -9.976 1.00 0.00 C ATOM 0 H MET A2098 12.628 -6.237 -11.067 1.00 0.00 H new ATOM 0 HA MET A2098 15.078 -7.324 -10.151 1.00 0.00 H new ATOM 0 HB2 MET A2098 14.826 -5.664 -12.010 1.00 0.00 H new ATOM 0 HB3 MET A2098 14.233 -4.469 -10.874 1.00 0.00 H new ATOM 0 HG2 MET A2098 16.450 -4.792 -9.592 1.00 0.00 H new ATOM 0 HG3 MET A2098 17.013 -5.699 -10.981 1.00 0.00 H new ATOM 0 HE1 MET A2098 17.704 -1.500 -10.236 1.00 0.00 H new ATOM 0 HE2 MET A2098 16.501 -2.415 -9.296 1.00 0.00 H new ATOM 0 HE3 MET A2098 18.151 -3.053 -9.490 1.00 0.00 H new ATOM 641 N ALA A2099 13.714 -5.042 -8.159 1.00 0.00 N ATOM 642 CA ALA A2099 13.736 -4.496 -6.809 1.00 0.00 C ATOM 643 C ALA A2099 13.360 -5.562 -5.761 1.00 0.00 C ATOM 644 O ALA A2099 13.953 -5.593 -4.684 1.00 0.00 O ATOM 645 CB ALA A2099 12.882 -3.229 -6.775 1.00 0.00 C ATOM 0 H ALA A2099 12.991 -4.635 -8.753 1.00 0.00 H new ATOM 0 HA ALA A2099 14.748 -4.202 -6.531 1.00 0.00 H new ATOM 0 HB1 ALA A2099 12.891 -2.811 -5.768 1.00 0.00 H new ATOM 0 HB2 ALA A2099 13.287 -2.498 -7.475 1.00 0.00 H new ATOM 0 HB3 ALA A2099 11.858 -3.473 -7.057 1.00 0.00 H new ATOM 651 N ALA A2100 12.451 -6.490 -6.089 1.00 0.00 N ATOM 652 CA ALA A2100 12.115 -7.616 -5.214 1.00 0.00 C ATOM 653 C ALA A2100 13.341 -8.528 -5.002 1.00 0.00 C ATOM 654 O ALA A2100 13.637 -8.936 -3.878 1.00 0.00 O ATOM 655 CB ALA A2100 10.952 -8.398 -5.837 1.00 0.00 C ATOM 0 H ALA A2100 11.931 -6.480 -6.966 1.00 0.00 H new ATOM 0 HA ALA A2100 11.815 -7.240 -4.236 1.00 0.00 H new ATOM 0 HB1 ALA A2100 10.693 -9.239 -5.194 1.00 0.00 H new ATOM 0 HB2 ALA A2100 10.088 -7.742 -5.942 1.00 0.00 H new ATOM 0 HB3 ALA A2100 11.247 -8.769 -6.818 1.00 0.00 H new ATOM 661 N PHE A2101 14.072 -8.823 -6.083 1.00 0.00 N ATOM 662 CA PHE A2101 15.274 -9.652 -6.057 1.00 0.00 C ATOM 663 C PHE A2101 16.452 -8.982 -5.336 1.00 0.00 C ATOM 664 O PHE A2101 16.997 -9.574 -4.407 1.00 0.00 O ATOM 665 CB PHE A2101 15.638 -9.991 -7.513 1.00 0.00 C ATOM 666 CG PHE A2101 17.014 -10.592 -7.722 1.00 0.00 C ATOM 667 CD1 PHE A2101 17.344 -11.831 -7.141 1.00 0.00 C ATOM 668 CD2 PHE A2101 17.963 -9.913 -8.515 1.00 0.00 C ATOM 669 CE1 PHE A2101 18.609 -12.403 -7.370 1.00 0.00 C ATOM 670 CE2 PHE A2101 19.221 -10.494 -8.753 1.00 0.00 C ATOM 671 CZ PHE A2101 19.543 -11.739 -8.186 1.00 0.00 C ATOM 0 H PHE A2101 13.837 -8.484 -7.016 1.00 0.00 H new ATOM 0 HA PHE A2101 15.065 -10.557 -5.486 1.00 0.00 H new ATOM 0 HB2 PHE A2101 14.895 -10.687 -7.902 1.00 0.00 H new ATOM 0 HB3 PHE A2101 15.565 -9.081 -8.108 1.00 0.00 H new ATOM 0 HD1 PHE A2101 16.625 -12.343 -6.519 1.00 0.00 H new ATOM 0 HD2 PHE A2101 17.724 -8.949 -8.938 1.00 0.00 H new ATOM 0 HE1 PHE A2101 18.863 -13.351 -6.920 1.00 0.00 H new ATOM 0 HE2 PHE A2101 19.942 -9.982 -9.373 1.00 0.00 H new ATOM 0 HZ PHE A2101 20.507 -12.186 -8.377 1.00 0.00 H new ATOM 681 N ILE A2102 16.844 -7.755 -5.703 1.00 0.00 N ATOM 682 CA ILE A2102 17.999 -7.065 -5.096 1.00 0.00 C ATOM 683 C ILE A2102 17.820 -6.824 -3.593 1.00 0.00 C ATOM 684 O ILE A2102 18.748 -7.084 -2.828 1.00 0.00 O ATOM 685 CB ILE A2102 18.344 -5.779 -5.882 1.00 0.00 C ATOM 686 CG1 ILE A2102 19.814 -5.325 -5.719 1.00 0.00 C ATOM 687 CG2 ILE A2102 17.351 -4.638 -5.624 1.00 0.00 C ATOM 688 CD1 ILE A2102 20.244 -4.712 -4.372 1.00 0.00 C ATOM 0 H ILE A2102 16.374 -7.211 -6.426 1.00 0.00 H new ATOM 0 HA ILE A2102 18.860 -7.729 -5.174 1.00 0.00 H new ATOM 0 HB ILE A2102 18.237 -6.054 -6.931 1.00 0.00 H new ATOM 0 HG12 ILE A2102 20.452 -6.188 -5.910 1.00 0.00 H new ATOM 0 HG13 ILE A2102 20.025 -4.594 -6.499 1.00 0.00 H new ATOM 0 HG21 ILE A2102 17.645 -3.762 -6.203 1.00 0.00 H new ATOM 0 HG22 ILE A2102 16.351 -4.952 -5.923 1.00 0.00 H new ATOM 0 HG23 ILE A2102 17.351 -4.389 -4.563 1.00 0.00 H new ATOM 0 HD11 ILE A2102 21.300 -4.445 -4.414 1.00 0.00 H new ATOM 0 HD12 ILE A2102 19.651 -3.819 -4.173 1.00 0.00 H new ATOM 0 HD13 ILE A2102 20.085 -5.438 -3.575 1.00 0.00 H new ATOM 700 N LYS A2103 16.629 -6.395 -3.144 1.00 0.00 N ATOM 701 CA LYS A2103 16.338 -6.154 -1.718 1.00 0.00 C ATOM 702 C LYS A2103 16.461 -7.427 -0.856 1.00 0.00 C ATOM 703 O LYS A2103 16.612 -7.319 0.360 1.00 0.00 O ATOM 704 CB LYS A2103 14.985 -5.428 -1.564 1.00 0.00 C ATOM 705 CG LYS A2103 15.057 -3.991 -2.127 1.00 0.00 C ATOM 706 CD LYS A2103 13.744 -3.195 -2.017 1.00 0.00 C ATOM 707 CE LYS A2103 13.503 -2.687 -0.588 1.00 0.00 C ATOM 708 NZ LYS A2103 12.368 -1.731 -0.530 1.00 0.00 N ATOM 0 H LYS A2103 15.838 -6.205 -3.760 1.00 0.00 H new ATOM 0 HA LYS A2103 17.107 -5.490 -1.323 1.00 0.00 H new ATOM 0 HB2 LYS A2103 14.208 -5.987 -2.085 1.00 0.00 H new ATOM 0 HB3 LYS A2103 14.704 -5.396 -0.511 1.00 0.00 H new ATOM 0 HG2 LYS A2103 15.842 -3.447 -1.601 1.00 0.00 H new ATOM 0 HG3 LYS A2103 15.351 -4.040 -3.176 1.00 0.00 H new ATOM 0 HD2 LYS A2103 13.773 -2.349 -2.703 1.00 0.00 H new ATOM 0 HD3 LYS A2103 12.910 -3.826 -2.324 1.00 0.00 H new ATOM 0 HE2 LYS A2103 13.301 -3.532 0.070 1.00 0.00 H new ATOM 0 HE3 LYS A2103 14.406 -2.203 -0.217 1.00 0.00 H new ATOM 0 HZ1 LYS A2103 12.235 -1.409 0.450 1.00 0.00 H new ATOM 0 HZ2 LYS A2103 12.572 -0.913 -1.138 1.00 0.00 H new ATOM 0 HZ3 LYS A2103 11.501 -2.201 -0.861 1.00 0.00 H new ATOM 722 N GLN A2104 16.471 -8.613 -1.478 1.00 0.00 N ATOM 723 CA GLN A2104 16.742 -9.904 -0.835 1.00 0.00 C ATOM 724 C GLN A2104 18.200 -10.357 -1.057 1.00 0.00 C ATOM 725 O GLN A2104 18.849 -10.787 -0.102 1.00 0.00 O ATOM 726 CB GLN A2104 15.735 -10.946 -1.357 1.00 0.00 C ATOM 727 CG GLN A2104 15.851 -12.325 -0.687 1.00 0.00 C ATOM 728 CD GLN A2104 15.593 -12.282 0.820 1.00 0.00 C ATOM 729 OE1 GLN A2104 14.468 -12.396 1.289 1.00 0.00 O ATOM 730 NE2 GLN A2104 16.614 -12.101 1.632 1.00 0.00 N ATOM 0 H GLN A2104 16.284 -8.702 -2.477 1.00 0.00 H new ATOM 0 HA GLN A2104 16.617 -9.798 0.243 1.00 0.00 H new ATOM 0 HB2 GLN A2104 14.725 -10.565 -1.207 1.00 0.00 H new ATOM 0 HB3 GLN A2104 15.875 -11.064 -2.432 1.00 0.00 H new ATOM 0 HG2 GLN A2104 15.141 -13.009 -1.152 1.00 0.00 H new ATOM 0 HG3 GLN A2104 16.848 -12.728 -0.868 1.00 0.00 H new ATOM 0 HE21 GLN A2104 17.556 -12.005 1.253 1.00 0.00 H new ATOM 0 HE22 GLN A2104 16.463 -12.057 2.640 1.00 0.00 H new ATOM 739 N ARG A2105 18.731 -10.266 -2.287 1.00 0.00 N ATOM 740 CA ARG A2105 20.109 -10.669 -2.647 1.00 0.00 C ATOM 741 C ARG A2105 21.172 -9.847 -1.922 1.00 0.00 C ATOM 742 O ARG A2105 22.214 -10.388 -1.577 1.00 0.00 O ATOM 743 CB ARG A2105 20.315 -10.606 -4.178 1.00 0.00 C ATOM 744 CG ARG A2105 21.008 -11.847 -4.766 1.00 0.00 C ATOM 745 CD ARG A2105 22.450 -12.107 -4.307 1.00 0.00 C ATOM 746 NE ARG A2105 22.993 -13.321 -4.958 1.00 0.00 N ATOM 747 CZ ARG A2105 24.152 -13.475 -5.579 1.00 0.00 C ATOM 748 NH1 ARG A2105 25.004 -12.503 -5.726 1.00 0.00 N ATOM 749 NH2 ARG A2105 24.487 -14.626 -6.082 1.00 0.00 N ATOM 0 H ARG A2105 18.205 -9.902 -3.081 1.00 0.00 H new ATOM 0 HA ARG A2105 20.232 -11.701 -2.317 1.00 0.00 H new ATOM 0 HB2 ARG A2105 19.345 -10.481 -4.660 1.00 0.00 H new ATOM 0 HB3 ARG A2105 20.907 -9.723 -4.419 1.00 0.00 H new ATOM 0 HG2 ARG A2105 20.408 -12.723 -4.518 1.00 0.00 H new ATOM 0 HG3 ARG A2105 21.007 -11.756 -5.852 1.00 0.00 H new ATOM 0 HD2 ARG A2105 23.075 -11.247 -4.549 1.00 0.00 H new ATOM 0 HD3 ARG A2105 22.477 -12.226 -3.224 1.00 0.00 H new ATOM 0 HE ARG A2105 22.396 -14.147 -4.923 1.00 0.00 H new ATOM 0 HH11 ARG A2105 24.790 -11.577 -5.355 1.00 0.00 H new ATOM 0 HH12 ARG A2105 25.886 -12.667 -6.212 1.00 0.00 H new ATOM 0 HH21 ARG A2105 23.854 -15.422 -6.000 1.00 0.00 H new ATOM 0 HH22 ARG A2105 25.383 -14.733 -6.558 1.00 0.00 H new ATOM 763 N THR A2106 20.910 -8.567 -1.651 1.00 0.00 N ATOM 764 CA THR A2106 21.810 -7.657 -0.910 1.00 0.00 C ATOM 765 C THR A2106 22.280 -8.244 0.434 1.00 0.00 C ATOM 766 O THR A2106 23.422 -8.038 0.848 1.00 0.00 O ATOM 767 CB THR A2106 21.146 -6.277 -0.721 1.00 0.00 C ATOM 768 OG1 THR A2106 22.081 -5.349 -0.218 1.00 0.00 O ATOM 769 CG2 THR A2106 19.944 -6.283 0.227 1.00 0.00 C ATOM 0 H THR A2106 20.045 -8.115 -1.945 1.00 0.00 H new ATOM 0 HA THR A2106 22.708 -7.532 -1.515 1.00 0.00 H new ATOM 0 HB THR A2106 20.788 -5.998 -1.712 1.00 0.00 H new ATOM 0 HG1 THR A2106 21.648 -4.477 -0.104 1.00 0.00 H new ATOM 0 HG21 THR A2106 19.536 -5.275 0.304 1.00 0.00 H new ATOM 0 HG22 THR A2106 19.178 -6.955 -0.160 1.00 0.00 H new ATOM 0 HG23 THR A2106 20.260 -6.623 1.213 1.00 0.00 H new ATOM 777 N ALA A2107 21.427 -9.044 1.087 1.00 0.00 N ATOM 778 CA ALA A2107 21.713 -9.730 2.347 1.00 0.00 C ATOM 779 C ALA A2107 22.764 -10.864 2.233 1.00 0.00 C ATOM 780 O ALA A2107 23.304 -11.293 3.255 1.00 0.00 O ATOM 781 CB ALA A2107 20.375 -10.278 2.869 1.00 0.00 C ATOM 0 H ALA A2107 20.488 -9.236 0.738 1.00 0.00 H new ATOM 0 HA ALA A2107 22.162 -9.014 3.036 1.00 0.00 H new ATOM 0 HB1 ALA A2107 20.539 -10.800 3.812 1.00 0.00 H new ATOM 0 HB2 ALA A2107 19.681 -9.453 3.027 1.00 0.00 H new ATOM 0 HB3 ALA A2107 19.956 -10.970 2.139 1.00 0.00 H new ATOM 787 N LYS A2108 23.035 -11.364 1.014 1.00 0.00 N ATOM 788 CA LYS A2108 23.927 -12.505 0.695 1.00 0.00 C ATOM 789 C LYS A2108 24.844 -12.269 -0.525 1.00 0.00 C ATOM 790 O LYS A2108 25.406 -13.218 -1.070 1.00 0.00 O ATOM 791 CB LYS A2108 23.041 -13.742 0.417 1.00 0.00 C ATOM 792 CG LYS A2108 22.055 -14.158 1.523 1.00 0.00 C ATOM 793 CD LYS A2108 22.748 -14.603 2.819 1.00 0.00 C ATOM 794 CE LYS A2108 21.697 -14.904 3.891 1.00 0.00 C ATOM 795 NZ LYS A2108 22.315 -15.068 5.233 1.00 0.00 N ATOM 0 H LYS A2108 22.616 -10.964 0.174 1.00 0.00 H new ATOM 0 HA LYS A2108 24.586 -12.644 1.552 1.00 0.00 H new ATOM 0 HB2 LYS A2108 22.470 -13.552 -0.492 1.00 0.00 H new ATOM 0 HB3 LYS A2108 23.696 -14.589 0.211 1.00 0.00 H new ATOM 0 HG2 LYS A2108 21.392 -13.321 1.743 1.00 0.00 H new ATOM 0 HG3 LYS A2108 21.430 -14.972 1.156 1.00 0.00 H new ATOM 0 HD2 LYS A2108 23.355 -15.489 2.632 1.00 0.00 H new ATOM 0 HD3 LYS A2108 23.424 -13.822 3.168 1.00 0.00 H new ATOM 0 HE2 LYS A2108 20.967 -14.095 3.923 1.00 0.00 H new ATOM 0 HE3 LYS A2108 21.156 -15.812 3.626 1.00 0.00 H new ATOM 0 HZ1 LYS A2108 21.574 -15.271 5.934 1.00 0.00 H new ATOM 0 HZ2 LYS A2108 22.994 -15.856 5.209 1.00 0.00 H new ATOM 0 HZ3 LYS A2108 22.810 -14.192 5.496 1.00 0.00 H new ATOM 1019 N THR B 18 9.453 -22.690 -11.869 1.00 0.00 N ATOM 1020 CA THR B 18 10.477 -22.053 -12.723 1.00 0.00 C ATOM 1021 C THR B 18 10.861 -20.645 -12.239 1.00 0.00 C ATOM 1022 O THR B 18 10.212 -20.078 -11.354 1.00 0.00 O ATOM 1023 CB THR B 18 9.982 -21.933 -14.178 1.00 0.00 C ATOM 1024 OG1 THR B 18 8.847 -21.096 -14.233 1.00 0.00 O ATOM 1025 CG2 THR B 18 9.600 -23.276 -14.795 1.00 0.00 C ATOM 0 HA THR B 18 11.354 -22.698 -12.664 1.00 0.00 H new ATOM 0 HB THR B 18 10.815 -21.519 -14.747 1.00 0.00 H new ATOM 0 HG1 THR B 18 8.277 -21.266 -13.454 1.00 0.00 H new ATOM 0 HG21 THR B 18 9.260 -23.122 -15.819 1.00 0.00 H new ATOM 0 HG22 THR B 18 10.467 -23.936 -14.796 1.00 0.00 H new ATOM 0 HG23 THR B 18 8.799 -23.730 -14.211 1.00 0.00 H new ATOM 1033 N PHE B 19 11.894 -20.042 -12.846 1.00 0.00 N ATOM 1034 CA PHE B 19 12.350 -18.673 -12.543 1.00 0.00 C ATOM 1035 C PHE B 19 11.211 -17.634 -12.509 1.00 0.00 C ATOM 1036 O PHE B 19 11.235 -16.720 -11.685 1.00 0.00 O ATOM 1037 CB PHE B 19 13.480 -18.246 -13.496 1.00 0.00 C ATOM 1038 CG PHE B 19 13.081 -17.876 -14.914 1.00 0.00 C ATOM 1039 CD1 PHE B 19 12.636 -18.866 -15.810 1.00 0.00 C ATOM 1040 CD2 PHE B 19 13.203 -16.543 -15.357 1.00 0.00 C ATOM 1041 CE1 PHE B 19 12.315 -18.532 -17.138 1.00 0.00 C ATOM 1042 CE2 PHE B 19 12.888 -16.208 -16.687 1.00 0.00 C ATOM 1043 CZ PHE B 19 12.445 -17.203 -17.578 1.00 0.00 C ATOM 0 H PHE B 19 12.446 -20.497 -13.573 1.00 0.00 H new ATOM 0 HA PHE B 19 12.746 -18.702 -11.528 1.00 0.00 H new ATOM 0 HB2 PHE B 19 13.992 -17.391 -13.054 1.00 0.00 H new ATOM 0 HB3 PHE B 19 14.204 -19.059 -13.549 1.00 0.00 H new ATOM 0 HD1 PHE B 19 12.540 -19.889 -15.476 1.00 0.00 H new ATOM 0 HD2 PHE B 19 13.539 -15.777 -14.674 1.00 0.00 H new ATOM 0 HE1 PHE B 19 11.969 -19.296 -17.819 1.00 0.00 H new ATOM 0 HE2 PHE B 19 12.986 -15.187 -17.024 1.00 0.00 H new ATOM 0 HZ PHE B 19 12.205 -16.946 -18.599 1.00 0.00 H new ATOM 1053 N SER B 20 10.189 -17.801 -13.356 1.00 0.00 N ATOM 1054 CA SER B 20 9.003 -16.937 -13.421 1.00 0.00 C ATOM 1055 C SER B 20 8.167 -16.933 -12.137 1.00 0.00 C ATOM 1056 O SER B 20 7.569 -15.912 -11.798 1.00 0.00 O ATOM 1057 CB SER B 20 8.101 -17.367 -14.585 1.00 0.00 C ATOM 1058 OG SER B 20 8.843 -17.520 -15.784 1.00 0.00 O ATOM 0 H SER B 20 10.163 -18.562 -14.035 1.00 0.00 H new ATOM 0 HA SER B 20 9.384 -15.926 -13.565 1.00 0.00 H new ATOM 0 HB2 SER B 20 7.608 -18.307 -14.338 1.00 0.00 H new ATOM 0 HB3 SER B 20 7.316 -16.625 -14.733 1.00 0.00 H new ATOM 0 HG SER B 20 8.242 -17.796 -16.507 1.00 0.00 H new ATOM 1064 N ASP B 21 8.133 -18.046 -11.397 1.00 0.00 N ATOM 1065 CA ASP B 21 7.408 -18.140 -10.125 1.00 0.00 C ATOM 1066 C ASP B 21 8.251 -17.625 -8.946 1.00 0.00 C ATOM 1067 O ASP B 21 7.702 -17.156 -7.950 1.00 0.00 O ATOM 1068 CB ASP B 21 6.934 -19.579 -9.895 1.00 0.00 C ATOM 1069 CG ASP B 21 5.832 -19.641 -8.822 1.00 0.00 C ATOM 1070 OD1 ASP B 21 4.695 -19.194 -9.112 1.00 0.00 O ATOM 1071 OD2 ASP B 21 6.095 -20.136 -7.700 1.00 0.00 O ATOM 0 H ASP B 21 8.608 -18.908 -11.663 1.00 0.00 H new ATOM 0 HA ASP B 21 6.532 -17.494 -10.184 1.00 0.00 H new ATOM 0 HB2 ASP B 21 6.558 -19.994 -10.830 1.00 0.00 H new ATOM 0 HB3 ASP B 21 7.778 -20.197 -9.589 1.00 0.00 H new ATOM 1076 N LEU B 22 9.584 -17.629 -9.073 1.00 0.00 N ATOM 1077 CA LEU B 22 10.481 -17.082 -8.045 1.00 0.00 C ATOM 1078 C LEU B 22 10.220 -15.583 -7.834 1.00 0.00 C ATOM 1079 O LEU B 22 10.274 -15.108 -6.699 1.00 0.00 O ATOM 1080 CB LEU B 22 11.962 -17.331 -8.384 1.00 0.00 C ATOM 1081 CG LEU B 22 12.355 -18.795 -8.654 1.00 0.00 C ATOM 1082 CD1 LEU B 22 13.863 -18.873 -8.893 1.00 0.00 C ATOM 1083 CD2 LEU B 22 11.997 -19.748 -7.515 1.00 0.00 C ATOM 0 H LEU B 22 10.070 -18.009 -9.886 1.00 0.00 H new ATOM 0 HA LEU B 22 10.265 -17.608 -7.115 1.00 0.00 H new ATOM 0 HB2 LEU B 22 12.218 -16.739 -9.263 1.00 0.00 H new ATOM 0 HB3 LEU B 22 12.571 -16.958 -7.560 1.00 0.00 H new ATOM 0 HG LEU B 22 11.787 -19.111 -9.529 1.00 0.00 H new ATOM 0 HD11 LEU B 22 14.148 -19.907 -9.085 1.00 0.00 H new ATOM 0 HD12 LEU B 22 14.127 -18.258 -9.753 1.00 0.00 H new ATOM 0 HD13 LEU B 22 14.390 -18.509 -8.011 1.00 0.00 H new ATOM 0 HD21 LEU B 22 12.304 -20.760 -7.778 1.00 0.00 H new ATOM 0 HD22 LEU B 22 12.511 -19.437 -6.605 1.00 0.00 H new ATOM 0 HD23 LEU B 22 10.920 -19.727 -7.348 1.00 0.00 H new ATOM 1095 N TRP B 23 9.868 -14.846 -8.897 1.00 0.00 N ATOM 1096 CA TRP B 23 9.511 -13.423 -8.806 1.00 0.00 C ATOM 1097 C TRP B 23 8.317 -13.180 -7.864 1.00 0.00 C ATOM 1098 O TRP B 23 8.278 -12.169 -7.161 1.00 0.00 O ATOM 1099 CB TRP B 23 9.200 -12.863 -10.197 1.00 0.00 C ATOM 1100 CG TRP B 23 10.217 -13.099 -11.275 1.00 0.00 C ATOM 1101 CD1 TRP B 23 9.907 -13.559 -12.504 1.00 0.00 C ATOM 1102 CD2 TRP B 23 11.667 -12.884 -11.286 1.00 0.00 C ATOM 1103 NE1 TRP B 23 11.045 -13.655 -13.277 1.00 0.00 N ATOM 1104 CE2 TRP B 23 12.159 -13.236 -12.582 1.00 0.00 C ATOM 1105 CE3 TRP B 23 12.620 -12.407 -10.354 1.00 0.00 C ATOM 1106 CZ2 TRP B 23 13.509 -13.114 -12.939 1.00 0.00 C ATOM 1107 CZ3 TRP B 23 13.980 -12.281 -10.704 1.00 0.00 C ATOM 1108 CH2 TRP B 23 14.424 -12.632 -11.991 1.00 0.00 C ATOM 0 H TRP B 23 9.823 -15.220 -9.845 1.00 0.00 H new ATOM 0 HA TRP B 23 10.372 -12.903 -8.386 1.00 0.00 H new ATOM 0 HB2 TRP B 23 8.252 -13.288 -10.528 1.00 0.00 H new ATOM 0 HB3 TRP B 23 9.051 -11.787 -10.103 1.00 0.00 H new ATOM 0 HD1 TRP B 23 8.911 -13.815 -12.835 1.00 0.00 H new ATOM 0 HE1 TRP B 23 11.060 -13.993 -14.239 1.00 0.00 H new ATOM 0 HE3 TRP B 23 12.300 -12.135 -9.359 1.00 0.00 H new ATOM 0 HZ2 TRP B 23 13.840 -13.387 -13.930 1.00 0.00 H new ATOM 0 HZ3 TRP B 23 14.687 -11.911 -9.977 1.00 0.00 H new ATOM 0 HH2 TRP B 23 15.468 -12.531 -12.249 1.00 0.00 H new ATOM 1119 N LYS B 24 7.363 -14.124 -7.822 1.00 0.00 N ATOM 1120 CA LYS B 24 6.177 -14.091 -6.943 1.00 0.00 C ATOM 1121 C LYS B 24 6.514 -14.489 -5.497 1.00 0.00 C ATOM 1122 O LYS B 24 5.916 -13.953 -4.564 1.00 0.00 O ATOM 1123 CB LYS B 24 5.087 -15.029 -7.493 1.00 0.00 C ATOM 1124 CG LYS B 24 4.534 -14.606 -8.867 1.00 0.00 C ATOM 1125 CD LYS B 24 3.816 -15.755 -9.589 1.00 0.00 C ATOM 1126 CE LYS B 24 2.682 -16.393 -8.773 1.00 0.00 C ATOM 1127 NZ LYS B 24 2.320 -17.723 -9.323 1.00 0.00 N ATOM 0 H LYS B 24 7.394 -14.955 -8.413 1.00 0.00 H new ATOM 0 HA LYS B 24 5.814 -13.063 -6.929 1.00 0.00 H new ATOM 0 HB2 LYS B 24 5.495 -16.037 -7.571 1.00 0.00 H new ATOM 0 HB3 LYS B 24 4.265 -15.072 -6.779 1.00 0.00 H new ATOM 0 HG2 LYS B 24 3.842 -13.774 -8.736 1.00 0.00 H new ATOM 0 HG3 LYS B 24 5.353 -14.245 -9.489 1.00 0.00 H new ATOM 0 HD2 LYS B 24 3.408 -15.382 -10.529 1.00 0.00 H new ATOM 0 HD3 LYS B 24 4.546 -16.524 -9.841 1.00 0.00 H new ATOM 0 HE2 LYS B 24 2.990 -16.496 -7.733 1.00 0.00 H new ATOM 0 HE3 LYS B 24 1.809 -15.740 -8.783 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 1.529 -18.121 -8.777 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 2.037 -17.622 -10.319 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 3.140 -18.360 -9.259 1.00 0.00 H new ATOM 1141 N LEU B 25 7.462 -15.415 -5.306 1.00 0.00 N ATOM 1142 CA LEU B 25 7.919 -15.879 -3.985 1.00 0.00 C ATOM 1143 C LEU B 25 8.790 -14.831 -3.262 1.00 0.00 C ATOM 1144 O LEU B 25 8.751 -14.739 -2.032 1.00 0.00 O ATOM 1145 CB LEU B 25 8.699 -17.199 -4.136 1.00 0.00 C ATOM 1146 CG LEU B 25 7.860 -18.408 -4.596 1.00 0.00 C ATOM 1147 CD1 LEU B 25 8.778 -19.615 -4.797 1.00 0.00 C ATOM 1148 CD2 LEU B 25 6.786 -18.801 -3.576 1.00 0.00 C ATOM 0 H LEU B 25 7.944 -15.873 -6.079 1.00 0.00 H new ATOM 0 HA LEU B 25 7.032 -16.039 -3.372 1.00 0.00 H new ATOM 0 HB2 LEU B 25 9.507 -17.045 -4.851 1.00 0.00 H new ATOM 0 HB3 LEU B 25 9.161 -17.441 -3.179 1.00 0.00 H new ATOM 0 HG LEU B 25 7.366 -18.117 -5.523 1.00 0.00 H new ATOM 0 HD11 LEU B 25 8.187 -20.471 -5.122 1.00 0.00 H new ATOM 0 HD12 LEU B 25 9.526 -19.381 -5.555 1.00 0.00 H new ATOM 0 HD13 LEU B 25 9.276 -19.854 -3.857 1.00 0.00 H new ATOM 0 HD21 LEU B 25 6.225 -19.657 -3.950 1.00 0.00 H new ATOM 0 HD22 LEU B 25 7.261 -19.063 -2.631 1.00 0.00 H new ATOM 0 HD23 LEU B 25 6.107 -17.962 -3.421 1.00 0.00 H new ATOM 1408 N LEU B 43 26.910 -2.900 -8.391 1.00 0.00 N ATOM 1409 CA LEU B 43 26.810 -4.344 -8.157 1.00 0.00 C ATOM 1410 C LEU B 43 25.978 -5.041 -9.248 1.00 0.00 C ATOM 1411 O LEU B 43 24.768 -4.839 -9.352 1.00 0.00 O ATOM 1412 CB LEU B 43 26.273 -4.648 -6.737 1.00 0.00 C ATOM 1413 CG LEU B 43 25.018 -3.870 -6.286 1.00 0.00 C ATOM 1414 CD1 LEU B 43 24.076 -4.773 -5.488 1.00 0.00 C ATOM 1415 CD2 LEU B 43 25.369 -2.669 -5.402 1.00 0.00 C ATOM 0 HA LEU B 43 27.817 -4.757 -8.217 1.00 0.00 H new ATOM 0 HB2 LEU B 43 26.051 -5.714 -6.679 1.00 0.00 H new ATOM 0 HB3 LEU B 43 27.071 -4.449 -6.022 1.00 0.00 H new ATOM 0 HG LEU B 43 24.536 -3.519 -7.198 1.00 0.00 H new ATOM 0 HD11 LEU B 43 23.199 -4.203 -5.181 1.00 0.00 H new ATOM 0 HD12 LEU B 43 23.764 -5.613 -6.109 1.00 0.00 H new ATOM 0 HD13 LEU B 43 24.593 -5.148 -4.604 1.00 0.00 H new ATOM 0 HD21 LEU B 43 24.455 -2.153 -5.110 1.00 0.00 H new ATOM 0 HD22 LEU B 43 25.892 -3.014 -4.510 1.00 0.00 H new ATOM 0 HD23 LEU B 43 26.011 -1.984 -5.957 1.00 0.00 H new ATOM 1427 N MET B 44 26.635 -5.888 -10.045 1.00 0.00 N ATOM 1428 CA MET B 44 26.019 -6.687 -11.109 1.00 0.00 C ATOM 1429 C MET B 44 26.653 -8.086 -11.183 1.00 0.00 C ATOM 1430 O MET B 44 27.874 -8.255 -11.133 1.00 0.00 O ATOM 1431 CB MET B 44 26.063 -5.923 -12.445 1.00 0.00 C ATOM 1432 CG MET B 44 25.475 -6.691 -13.640 1.00 0.00 C ATOM 1433 SD MET B 44 23.935 -7.634 -13.398 1.00 0.00 S ATOM 1434 CE MET B 44 22.809 -6.409 -12.680 1.00 0.00 C ATOM 0 H MET B 44 27.640 -6.042 -9.966 1.00 0.00 H new ATOM 0 HA MET B 44 24.966 -6.848 -10.876 1.00 0.00 H new ATOM 0 HB2 MET B 44 25.520 -4.985 -12.330 1.00 0.00 H new ATOM 0 HB3 MET B 44 27.099 -5.667 -12.668 1.00 0.00 H new ATOM 0 HG2 MET B 44 25.301 -5.973 -14.442 1.00 0.00 H new ATOM 0 HG3 MET B 44 26.237 -7.386 -13.994 1.00 0.00 H new ATOM 0 HE1 MET B 44 22.537 -6.713 -11.669 1.00 0.00 H new ATOM 0 HE2 MET B 44 23.302 -5.437 -12.646 1.00 0.00 H new ATOM 0 HE3 MET B 44 21.910 -6.339 -13.292 1.00 0.00 H new ATOM 1444 N LEU B 45 25.764 -9.078 -11.260 1.00 0.00 N ATOM 1445 CA LEU B 45 25.986 -10.521 -11.276 1.00 0.00 C ATOM 1446 C LEU B 45 26.843 -11.025 -12.460 1.00 0.00 C ATOM 1447 O LEU B 45 27.194 -10.286 -13.386 1.00 0.00 O ATOM 1448 CB LEU B 45 24.592 -11.200 -11.285 1.00 0.00 C ATOM 1449 CG LEU B 45 23.648 -11.008 -10.074 1.00 0.00 C ATOM 1450 CD1 LEU B 45 24.313 -11.340 -8.741 1.00 0.00 C ATOM 1451 CD2 LEU B 45 23.028 -9.611 -9.951 1.00 0.00 C ATOM 0 H LEU B 45 24.768 -8.866 -11.319 1.00 0.00 H new ATOM 0 HA LEU B 45 26.565 -10.782 -10.390 1.00 0.00 H new ATOM 0 HB2 LEU B 45 24.063 -10.850 -12.171 1.00 0.00 H new ATOM 0 HB3 LEU B 45 24.750 -12.271 -11.410 1.00 0.00 H new ATOM 0 HG LEU B 45 22.849 -11.718 -10.287 1.00 0.00 H new ATOM 0 HD11 LEU B 45 23.601 -11.186 -7.931 1.00 0.00 H new ATOM 0 HD12 LEU B 45 24.638 -12.380 -8.746 1.00 0.00 H new ATOM 0 HD13 LEU B 45 25.176 -10.691 -8.594 1.00 0.00 H new ATOM 0 HD21 LEU B 45 22.383 -9.575 -9.073 1.00 0.00 H new ATOM 0 HD22 LEU B 45 23.820 -8.869 -9.850 1.00 0.00 H new ATOM 0 HD23 LEU B 45 22.440 -9.394 -10.843 1.00 0.00 H new ATOM 1463 N SER B 46 27.132 -12.327 -12.429 1.00 0.00 N ATOM 1464 CA SER B 46 27.878 -13.104 -13.428 1.00 0.00 C ATOM 1465 C SER B 46 27.041 -14.328 -13.859 1.00 0.00 C ATOM 1466 O SER B 46 26.070 -14.671 -13.175 1.00 0.00 O ATOM 1467 CB SER B 46 29.217 -13.528 -12.798 1.00 0.00 C ATOM 1468 OG SER B 46 30.105 -12.420 -12.721 1.00 0.00 O ATOM 0 H SER B 46 26.830 -12.911 -11.649 1.00 0.00 H new ATOM 0 HA SER B 46 28.076 -12.510 -14.320 1.00 0.00 H new ATOM 0 HB2 SER B 46 29.044 -13.933 -11.801 1.00 0.00 H new ATOM 0 HB3 SER B 46 29.669 -14.323 -13.391 1.00 0.00 H new ATOM 0 HG SER B 46 30.951 -12.706 -12.317 1.00 0.00 H new ATOM 1474 N PRO B 47 27.365 -15.022 -14.972 1.00 0.00 N ATOM 1475 CA PRO B 47 26.580 -16.173 -15.437 1.00 0.00 C ATOM 1476 C PRO B 47 26.431 -17.283 -14.388 1.00 0.00 C ATOM 1477 O PRO B 47 25.402 -17.952 -14.367 1.00 0.00 O ATOM 1478 CB PRO B 47 27.231 -16.653 -16.737 1.00 0.00 C ATOM 1479 CG PRO B 47 28.636 -16.062 -16.687 1.00 0.00 C ATOM 1480 CD PRO B 47 28.459 -14.766 -15.899 1.00 0.00 C ATOM 0 HA PRO B 47 25.549 -15.870 -15.618 1.00 0.00 H new ATOM 0 HB2 PRO B 47 27.258 -17.741 -16.792 1.00 0.00 H new ATOM 0 HB3 PRO B 47 26.682 -16.303 -17.611 1.00 0.00 H new ATOM 0 HG2 PRO B 47 29.336 -16.737 -16.195 1.00 0.00 H new ATOM 0 HG3 PRO B 47 29.026 -15.872 -17.687 1.00 0.00 H new ATOM 0 HD2 PRO B 47 29.372 -14.503 -15.365 1.00 0.00 H new ATOM 0 HD3 PRO B 47 28.226 -13.932 -16.561 1.00 0.00 H new ATOM 1488 N ASP B 48 27.394 -17.438 -13.474 1.00 0.00 N ATOM 1489 CA ASP B 48 27.350 -18.385 -12.354 1.00 0.00 C ATOM 1490 C ASP B 48 26.152 -18.157 -11.403 1.00 0.00 C ATOM 1491 O ASP B 48 25.668 -19.110 -10.782 1.00 0.00 O ATOM 1492 CB ASP B 48 28.676 -18.263 -11.586 1.00 0.00 C ATOM 1493 CG ASP B 48 29.760 -19.208 -12.140 1.00 0.00 C ATOM 1494 OD1 ASP B 48 30.302 -18.936 -13.237 1.00 0.00 O ATOM 1495 OD2 ASP B 48 30.077 -20.223 -11.473 1.00 0.00 O ATOM 0 H ASP B 48 28.254 -16.890 -13.494 1.00 0.00 H new ATOM 0 HA ASP B 48 27.214 -19.388 -12.758 1.00 0.00 H new ATOM 0 HB2 ASP B 48 29.032 -17.234 -11.640 1.00 0.00 H new ATOM 0 HB3 ASP B 48 28.506 -18.486 -10.533 1.00 0.00 H new ATOM 1500 N ASP B 49 25.635 -16.932 -11.306 1.00 0.00 N ATOM 1501 CA ASP B 49 24.459 -16.569 -10.507 1.00 0.00 C ATOM 1502 C ASP B 49 23.157 -16.660 -11.330 1.00 0.00 C ATOM 1503 O ASP B 49 22.084 -16.903 -10.786 1.00 0.00 O ATOM 1504 CB ASP B 49 24.580 -15.127 -9.989 1.00 0.00 C ATOM 1505 CG ASP B 49 25.944 -14.767 -9.379 1.00 0.00 C ATOM 1506 OD1 ASP B 49 26.196 -15.116 -8.200 1.00 0.00 O ATOM 1507 OD2 ASP B 49 26.729 -14.070 -10.064 1.00 0.00 O ATOM 0 H ASP B 49 26.037 -16.134 -11.799 1.00 0.00 H new ATOM 0 HA ASP B 49 24.418 -17.276 -9.678 1.00 0.00 H new ATOM 0 HB2 ASP B 49 24.376 -14.443 -10.813 1.00 0.00 H new ATOM 0 HB3 ASP B 49 23.808 -14.961 -9.238 1.00 0.00 H new ATOM 1512 N ILE B 50 23.244 -16.452 -12.652 1.00 0.00 N ATOM 1513 CA ILE B 50 22.103 -16.464 -13.587 1.00 0.00 C ATOM 1514 C ILE B 50 21.728 -17.899 -13.992 1.00 0.00 C ATOM 1515 O ILE B 50 20.552 -18.207 -14.175 1.00 0.00 O ATOM 1516 CB ILE B 50 22.428 -15.580 -14.820 1.00 0.00 C ATOM 1517 CG1 ILE B 50 22.827 -14.136 -14.416 1.00 0.00 C ATOM 1518 CG2 ILE B 50 21.231 -15.513 -15.790 1.00 0.00 C ATOM 1519 CD1 ILE B 50 23.514 -13.349 -15.538 1.00 0.00 C ATOM 0 H ILE B 50 24.133 -16.265 -13.116 1.00 0.00 H new ATOM 0 HA ILE B 50 21.231 -16.044 -13.086 1.00 0.00 H new ATOM 0 HB ILE B 50 23.277 -16.051 -15.316 1.00 0.00 H new ATOM 0 HG12 ILE B 50 21.934 -13.597 -14.100 1.00 0.00 H new ATOM 0 HG13 ILE B 50 23.494 -14.180 -13.555 1.00 0.00 H new ATOM 0 HG21 ILE B 50 21.489 -14.887 -16.644 1.00 0.00 H new ATOM 0 HG22 ILE B 50 20.987 -16.517 -16.137 1.00 0.00 H new ATOM 0 HG23 ILE B 50 20.369 -15.088 -15.276 1.00 0.00 H new ATOM 0 HD11 ILE B 50 23.763 -12.350 -15.181 1.00 0.00 H new ATOM 0 HD12 ILE B 50 24.426 -13.865 -15.839 1.00 0.00 H new ATOM 0 HD13 ILE B 50 22.842 -13.272 -16.393 1.00 0.00 H new ATOM 1531 N GLU B 51 22.692 -18.818 -14.072 1.00 0.00 N ATOM 1532 CA GLU B 51 22.449 -20.244 -14.357 1.00 0.00 C ATOM 1533 C GLU B 51 21.769 -20.989 -13.181 1.00 0.00 C ATOM 1534 O GLU B 51 21.554 -22.199 -13.229 1.00 0.00 O ATOM 1535 CB GLU B 51 23.761 -20.916 -14.798 1.00 0.00 C ATOM 1536 CG GLU B 51 24.766 -21.173 -13.663 1.00 0.00 C ATOM 1537 CD GLU B 51 26.035 -21.900 -14.159 1.00 0.00 C ATOM 1538 OE1 GLU B 51 26.624 -21.503 -15.194 1.00 0.00 O ATOM 1539 OE2 GLU B 51 26.462 -22.883 -13.505 1.00 0.00 O ATOM 0 H GLU B 51 23.679 -18.596 -13.940 1.00 0.00 H new ATOM 0 HA GLU B 51 21.735 -20.305 -15.178 1.00 0.00 H new ATOM 0 HB2 GLU B 51 23.523 -21.866 -15.276 1.00 0.00 H new ATOM 0 HB3 GLU B 51 24.238 -20.290 -15.552 1.00 0.00 H new ATOM 0 HG2 GLU B 51 25.048 -20.223 -13.208 1.00 0.00 H new ATOM 0 HG3 GLU B 51 24.288 -21.769 -12.886 1.00 0.00 H new ATOM 1546 N GLN B 52 21.440 -20.273 -12.102 1.00 0.00 N ATOM 1547 CA GLN B 52 20.807 -20.799 -10.898 1.00 0.00 C ATOM 1548 C GLN B 52 19.293 -21.025 -11.061 1.00 0.00 C ATOM 1549 O GLN B 52 18.811 -22.143 -10.884 1.00 0.00 O ATOM 1550 CB GLN B 52 21.069 -19.766 -9.786 1.00 0.00 C ATOM 1551 CG GLN B 52 20.441 -20.075 -8.418 1.00 0.00 C ATOM 1552 CD GLN B 52 20.488 -18.886 -7.452 1.00 0.00 C ATOM 1553 OE1 GLN B 52 20.843 -19.021 -6.287 1.00 0.00 O ATOM 1554 NE2 GLN B 52 20.126 -17.690 -7.873 1.00 0.00 N ATOM 0 H GLN B 52 21.616 -19.270 -12.045 1.00 0.00 H new ATOM 0 HA GLN B 52 21.227 -21.778 -10.666 1.00 0.00 H new ATOM 0 HB2 GLN B 52 22.147 -19.668 -9.655 1.00 0.00 H new ATOM 0 HB3 GLN B 52 20.699 -18.797 -10.123 1.00 0.00 H new ATOM 0 HG2 GLN B 52 19.404 -20.378 -8.561 1.00 0.00 H new ATOM 0 HG3 GLN B 52 20.961 -20.921 -7.969 1.00 0.00 H new ATOM 0 HE21 GLN B 52 19.828 -17.558 -8.839 1.00 0.00 H new ATOM 0 HE22 GLN B 52 20.145 -16.897 -7.232 1.00 0.00 H new ATOM 1563 N TRP B 53 18.524 -19.971 -11.357 1.00 0.00 N ATOM 1564 CA TRP B 53 17.052 -20.026 -11.387 1.00 0.00 C ATOM 1565 C TRP B 53 16.411 -20.786 -12.557 1.00 0.00 C ATOM 1566 O TRP B 53 15.270 -21.230 -12.441 1.00 0.00 O ATOM 1567 CB TRP B 53 16.477 -18.608 -11.226 1.00 0.00 C ATOM 1568 CG TRP B 53 17.140 -17.468 -11.945 1.00 0.00 C ATOM 1569 CD1 TRP B 53 17.751 -17.518 -13.149 1.00 0.00 C ATOM 1570 CD2 TRP B 53 17.293 -16.084 -11.488 1.00 0.00 C ATOM 1571 NE1 TRP B 53 18.339 -16.302 -13.423 1.00 0.00 N ATOM 1572 CE2 TRP B 53 18.077 -15.372 -12.445 1.00 0.00 C ATOM 1573 CE3 TRP B 53 16.862 -15.362 -10.354 1.00 0.00 C ATOM 1574 CZ2 TRP B 53 18.440 -14.028 -12.281 1.00 0.00 C ATOM 1575 CZ3 TRP B 53 17.203 -14.006 -10.187 1.00 0.00 C ATOM 1576 CH2 TRP B 53 17.996 -13.339 -11.139 1.00 0.00 C ATOM 0 H TRP B 53 18.903 -19.052 -11.584 1.00 0.00 H new ATOM 0 HA TRP B 53 16.774 -20.646 -10.535 1.00 0.00 H new ATOM 0 HB2 TRP B 53 15.435 -18.637 -11.545 1.00 0.00 H new ATOM 0 HB3 TRP B 53 16.478 -18.371 -10.162 1.00 0.00 H new ATOM 0 HD1 TRP B 53 17.775 -18.381 -13.799 1.00 0.00 H new ATOM 0 HE1 TRP B 53 18.902 -16.114 -14.253 1.00 0.00 H new ATOM 0 HE3 TRP B 53 16.262 -15.857 -9.604 1.00 0.00 H new ATOM 0 HZ2 TRP B 53 19.051 -13.530 -13.020 1.00 0.00 H new ATOM 0 HZ3 TRP B 53 16.851 -13.471 -9.317 1.00 0.00 H new ATOM 0 HH2 TRP B 53 18.262 -12.303 -10.993 1.00 0.00 H new ATOM 1587 N PHE B 54 17.128 -20.983 -13.669 1.00 0.00 N ATOM 1588 CA PHE B 54 16.599 -21.718 -14.833 1.00 0.00 C ATOM 1589 C PHE B 54 16.661 -23.253 -14.675 1.00 0.00 C ATOM 1590 O PHE B 54 16.087 -23.980 -15.485 1.00 0.00 O ATOM 1591 CB PHE B 54 17.257 -21.219 -16.135 1.00 0.00 C ATOM 1592 CG PHE B 54 18.486 -21.970 -16.627 1.00 0.00 C ATOM 1593 CD1 PHE B 54 19.540 -22.284 -15.748 1.00 0.00 C ATOM 1594 CD2 PHE B 54 18.576 -22.365 -17.978 1.00 0.00 C ATOM 1595 CE1 PHE B 54 20.659 -23.001 -16.204 1.00 0.00 C ATOM 1596 CE2 PHE B 54 19.701 -23.071 -18.438 1.00 0.00 C ATOM 1597 CZ PHE B 54 20.744 -23.392 -17.551 1.00 0.00 C ATOM 0 H PHE B 54 18.082 -20.643 -13.791 1.00 0.00 H new ATOM 0 HA PHE B 54 15.534 -21.496 -14.894 1.00 0.00 H new ATOM 0 HB2 PHE B 54 16.506 -21.246 -16.925 1.00 0.00 H new ATOM 0 HB3 PHE B 54 17.534 -20.174 -15.994 1.00 0.00 H new ATOM 0 HD1 PHE B 54 19.488 -21.971 -14.716 1.00 0.00 H new ATOM 0 HD2 PHE B 54 17.776 -22.124 -18.663 1.00 0.00 H new ATOM 0 HE1 PHE B 54 21.455 -23.252 -15.518 1.00 0.00 H new ATOM 0 HE2 PHE B 54 19.765 -23.367 -19.475 1.00 0.00 H new ATOM 0 HZ PHE B 54 21.607 -23.937 -17.904 1.00 0.00 H new ATOM 1607 N THR B 55 17.347 -23.762 -13.642 1.00 0.00 N ATOM 1608 CA THR B 55 17.537 -25.204 -13.375 1.00 0.00 C ATOM 1609 C THR B 55 16.234 -26.017 -13.250 1.00 0.00 C ATOM 1610 O THR B 55 16.203 -27.205 -13.578 1.00 0.00 O ATOM 1611 CB THR B 55 18.436 -25.386 -12.136 1.00 0.00 C ATOM 1612 OG1 THR B 55 18.980 -26.688 -12.106 1.00 0.00 O ATOM 1613 CG2 THR B 55 17.732 -25.137 -10.800 1.00 0.00 C ATOM 0 H THR B 55 17.800 -23.169 -12.946 1.00 0.00 H new ATOM 0 HA THR B 55 18.027 -25.617 -14.257 1.00 0.00 H new ATOM 0 HB THR B 55 19.212 -24.628 -12.243 1.00 0.00 H new ATOM 0 HG1 THR B 55 19.549 -26.787 -11.314 1.00 0.00 H new ATOM 0 HG21 THR B 55 18.438 -25.287 -9.983 1.00 0.00 H new ATOM 0 HG22 THR B 55 17.357 -24.114 -10.772 1.00 0.00 H new ATOM 0 HG23 THR B 55 16.899 -25.832 -10.692 1.00 0.00 H new