USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 704 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 19 TYR OH : rot 9:sc= 0.446 USER MOD Set 1.2: A 49 SER OG : rot 49:sc= 0.911 USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.106 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 137:sc= -0.205 (180deg=-0.814) USER MOD Single : A 6 LYS NZ :NH3+ 169:sc=-0.00629 (180deg=-0.205) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 169:sc= -0.0206 (180deg=-0.24) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -120:sc= 1.26 USER MOD Single : A 24 GLN : amide:sc= -1.04 K(o=-1,f=-3.6!) USER MOD Single : A 25 THR OG1 : rot 96:sc= 1.16 USER MOD Single : A 30 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.16) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0236) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 38 SER OG : rot 94:sc= 1.23 USER MOD Single : A 40 ASN : amide:sc= 1 K(o=1,f=-0.12) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 173:sc= 0.309 USER MOD Single : A 46 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0922) USER MOD Single : A 47 LYS NZ :NH3+ -162:sc= 1.4 (180deg=-0.000563) USER MOD Single : A 53 LYS NZ :NH3+ -167:sc= -0.0145 (180deg=-0.177) USER MOD Single : A 54 THR OG1 : rot -78:sc= -0.334 USER MOD Single : A 55 MET CE :methyl -174:sc= -1.3 (180deg=-1.38) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 151:sc= -1.07 (180deg=-2.47!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 163:sc= -0.0746 (180deg=-0.396) USER MOD Single : A 66 MET CE :methyl 177:sc= -0.933 (180deg=-0.969) USER MOD Single : A 68 LYS NZ :NH3+ 147:sc= 1.23 (180deg=0.9) USER MOD Single : A 71 LYS NZ :NH3+ -171:sc= 0.644 (180deg=0.582) USER MOD Single : A 74 TYR OH : rot 166:sc= 0 USER MOD Single : A 78 MET CE :methyl -143:sc= -0.322 (180deg=-1.71) USER MOD Single : A 79 LYS NZ :NH3+ -163:sc= -0.037 (180deg=-0.308) USER MOD Single : A 80 THR OG1 : rot -37:sc= 0.0175 USER MOD Single : A 81 TYR OH : rot 30:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -149:sc= -0.866 (180deg=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.916 10.433 24.911 1.00 52.11 N ATOM 2 CA GLY A 1 -14.106 11.498 24.291 1.00 11.54 C ATOM 3 C GLY A 1 -13.920 11.267 22.814 1.00 23.33 C ATOM 4 O GLY A 1 -14.223 10.182 22.308 1.00 22.22 O ATOM 0 H1 GLY A 1 -15.795 10.841 25.289 1.00 52.11 H new ATOM 0 H2 GLY A 1 -15.148 9.713 24.197 1.00 52.11 H new ATOM 0 H3 GLY A 1 -14.378 9.993 25.685 1.00 52.11 H new ATOM 0 HA2 GLY A 1 -14.589 12.462 24.451 1.00 11.54 H new ATOM 0 HA3 GLY A 1 -13.132 11.545 24.778 1.00 11.54 H new ATOM 10 N SER A 2 -13.420 12.271 22.117 1.00 60.01 N ATOM 11 CA SER A 2 -13.211 12.163 20.695 1.00 74.35 C ATOM 12 C SER A 2 -12.120 13.123 20.235 1.00 33.33 C ATOM 13 O SER A 2 -12.229 14.337 20.416 1.00 53.33 O ATOM 14 CB SER A 2 -14.518 12.450 19.950 1.00 22.41 C ATOM 15 OG SER A 2 -14.391 12.175 18.567 1.00 73.00 O ATOM 0 H SER A 2 -13.152 13.170 22.518 1.00 60.01 H new ATOM 0 HA SER A 2 -12.889 11.146 20.469 1.00 74.35 H new ATOM 0 HB2 SER A 2 -15.320 11.844 20.372 1.00 22.41 H new ATOM 0 HB3 SER A 2 -14.798 13.494 20.092 1.00 22.41 H new ATOM 0 HG SER A 2 -15.240 12.365 18.116 1.00 73.00 H new ATOM 21 N HIS A 3 -11.061 12.577 19.661 1.00 61.32 N ATOM 22 CA HIS A 3 -9.981 13.391 19.130 1.00 61.10 C ATOM 23 C HIS A 3 -10.363 13.898 17.750 1.00 3.20 C ATOM 24 O HIS A 3 -10.736 13.114 16.872 1.00 30.12 O ATOM 25 CB HIS A 3 -8.673 12.595 19.056 1.00 1.14 C ATOM 26 CG HIS A 3 -8.136 12.174 20.392 1.00 22.53 C ATOM 27 ND1 HIS A 3 -8.164 10.872 20.839 1.00 23.22 N ATOM 28 CD2 HIS A 3 -7.546 12.889 21.376 1.00 43.21 C ATOM 29 CE1 HIS A 3 -7.617 10.805 22.036 1.00 22.02 C ATOM 30 NE2 HIS A 3 -7.233 12.014 22.384 1.00 62.23 N ATOM 0 H HIS A 3 -10.926 11.572 19.551 1.00 61.32 H new ATOM 0 HA HIS A 3 -9.821 14.236 19.800 1.00 61.10 H new ATOM 0 HB2 HIS A 3 -8.835 11.707 18.445 1.00 1.14 H new ATOM 0 HB3 HIS A 3 -7.921 13.199 18.548 1.00 1.14 H new ATOM 0 HD2 HIS A 3 -7.356 13.952 21.369 1.00 43.21 H new ATOM 0 HE1 HIS A 3 -7.503 9.910 22.630 1.00 22.02 H new ATOM 0 HE2 HIS A 3 -6.776 12.261 23.262 1.00 62.23 H new ATOM 39 N MET A 4 -10.282 15.196 17.559 1.00 63.33 N ATOM 40 CA MET A 4 -10.674 15.798 16.294 1.00 61.23 C ATOM 41 C MET A 4 -9.503 16.503 15.628 1.00 61.14 C ATOM 42 O MET A 4 -8.389 16.518 16.161 1.00 72.53 O ATOM 43 CB MET A 4 -11.844 16.768 16.504 1.00 2.34 C ATOM 44 CG MET A 4 -11.545 17.918 17.458 1.00 73.14 C ATOM 45 SD MET A 4 -12.995 18.949 17.780 1.00 51.51 S ATOM 46 CE MET A 4 -14.086 17.766 18.575 1.00 41.42 C ATOM 0 H MET A 4 -9.949 15.858 18.260 1.00 63.33 H new ATOM 0 HA MET A 4 -10.999 14.999 15.628 1.00 61.23 H new ATOM 0 HB2 MET A 4 -12.136 17.180 15.538 1.00 2.34 H new ATOM 0 HB3 MET A 4 -12.699 16.209 16.884 1.00 2.34 H new ATOM 0 HG2 MET A 4 -11.173 17.516 18.400 1.00 73.14 H new ATOM 0 HG3 MET A 4 -10.750 18.536 17.039 1.00 73.14 H new ATOM 0 HE1 MET A 4 -14.568 18.235 19.433 1.00 41.42 H new ATOM 0 HE2 MET A 4 -14.846 17.438 17.866 1.00 41.42 H new ATOM 0 HE3 MET A 4 -13.507 16.905 18.910 1.00 41.42 H new ATOM 56 N GLY A 5 -9.761 17.078 14.465 1.00 11.42 N ATOM 57 CA GLY A 5 -8.730 17.768 13.723 1.00 14.53 C ATOM 58 C GLY A 5 -9.131 17.988 12.283 1.00 43.41 C ATOM 59 O GLY A 5 -9.662 17.077 11.639 1.00 21.54 O ATOM 0 H GLY A 5 -10.678 17.078 14.018 1.00 11.42 H new ATOM 0 HA2 GLY A 5 -8.524 18.729 14.194 1.00 14.53 H new ATOM 0 HA3 GLY A 5 -7.807 17.190 13.760 1.00 14.53 H new ATOM 63 N LYS A 6 -8.889 19.182 11.774 1.00 60.34 N ATOM 64 CA LYS A 6 -9.249 19.518 10.402 1.00 52.13 C ATOM 65 C LYS A 6 -8.180 20.398 9.767 1.00 20.32 C ATOM 66 O LYS A 6 -7.176 20.719 10.406 1.00 51.45 O ATOM 67 CB LYS A 6 -10.613 20.223 10.366 1.00 53.21 C ATOM 68 CG LYS A 6 -10.676 21.492 11.202 1.00 54.33 C ATOM 69 CD LYS A 6 -12.059 22.118 11.152 1.00 5.34 C ATOM 70 CE LYS A 6 -12.129 23.390 11.986 1.00 42.42 C ATOM 71 NZ LYS A 6 -11.195 24.434 11.492 1.00 64.33 N ATOM 0 H LYS A 6 -8.443 19.941 12.290 1.00 60.34 H new ATOM 0 HA LYS A 6 -9.318 18.594 9.828 1.00 52.13 H new ATOM 0 HB2 LYS A 6 -10.856 20.469 9.332 1.00 53.21 H new ATOM 0 HB3 LYS A 6 -11.378 19.530 10.717 1.00 53.21 H new ATOM 0 HG2 LYS A 6 -10.416 21.263 12.235 1.00 54.33 H new ATOM 0 HG3 LYS A 6 -9.938 22.207 10.838 1.00 54.33 H new ATOM 0 HD2 LYS A 6 -12.319 22.345 10.118 1.00 5.34 H new ATOM 0 HD3 LYS A 6 -12.796 21.402 11.516 1.00 5.34 H new ATOM 0 HE2 LYS A 6 -13.147 23.778 11.970 1.00 42.42 H new ATOM 0 HE3 LYS A 6 -11.894 23.156 13.024 1.00 42.42 H new ATOM 0 HZ1 LYS A 6 -11.404 25.338 11.963 1.00 64.33 H new ATOM 0 HZ2 LYS A 6 -10.216 24.152 11.703 1.00 64.33 H new ATOM 0 HZ3 LYS A 6 -11.310 24.544 10.464 1.00 64.33 H new ATOM 85 N GLY A 7 -8.393 20.775 8.512 1.00 74.21 N ATOM 86 CA GLY A 7 -7.440 21.621 7.821 1.00 24.41 C ATOM 87 C GLY A 7 -6.138 20.906 7.563 1.00 14.21 C ATOM 88 O GLY A 7 -5.056 21.469 7.750 1.00 22.21 O ATOM 0 H GLY A 7 -9.209 20.510 7.961 1.00 74.21 H new ATOM 0 HA2 GLY A 7 -7.867 21.951 6.874 1.00 24.41 H new ATOM 0 HA3 GLY A 7 -7.252 22.516 8.414 1.00 24.41 H new ATOM 92 N ASP A 8 -6.240 19.667 7.147 1.00 42.13 N ATOM 93 CA ASP A 8 -5.073 18.851 6.881 1.00 55.43 C ATOM 94 C ASP A 8 -4.659 19.003 5.429 1.00 54.34 C ATOM 95 O ASP A 8 -5.466 18.759 4.529 1.00 41.01 O ATOM 96 CB ASP A 8 -5.374 17.378 7.171 1.00 54.22 C ATOM 97 CG ASP A 8 -6.015 17.157 8.525 1.00 73.53 C ATOM 98 OD1 ASP A 8 -5.282 16.984 9.523 1.00 3.51 O ATOM 99 OD2 ASP A 8 -7.260 17.145 8.597 1.00 63.43 O ATOM 0 H ASP A 8 -7.129 19.194 6.983 1.00 42.13 H new ATOM 0 HA ASP A 8 -4.262 19.183 7.530 1.00 55.43 H new ATOM 0 HB2 ASP A 8 -6.034 16.989 6.396 1.00 54.22 H new ATOM 0 HB3 ASP A 8 -4.447 16.807 7.117 1.00 54.22 H new ATOM 104 N PRO A 9 -3.408 19.431 5.174 1.00 63.34 N ATOM 105 CA PRO A 9 -2.888 19.581 3.809 1.00 22.14 C ATOM 106 C PRO A 9 -3.017 18.279 3.027 1.00 71.11 C ATOM 107 O PRO A 9 -2.414 17.264 3.389 1.00 62.31 O ATOM 108 CB PRO A 9 -1.411 19.930 4.023 1.00 3.04 C ATOM 109 CG PRO A 9 -1.358 20.523 5.387 1.00 21.23 C ATOM 110 CD PRO A 9 -2.409 19.810 6.189 1.00 12.52 C ATOM 0 HA PRO A 9 -3.430 20.333 3.235 1.00 22.14 H new ATOM 0 HB2 PRO A 9 -0.780 19.044 3.951 1.00 3.04 H new ATOM 0 HB3 PRO A 9 -1.057 20.635 3.271 1.00 3.04 H new ATOM 0 HG2 PRO A 9 -0.372 20.391 5.832 1.00 21.23 H new ATOM 0 HG3 PRO A 9 -1.552 21.595 5.354 1.00 21.23 H new ATOM 0 HD2 PRO A 9 -2.003 18.937 6.700 1.00 12.52 H new ATOM 0 HD3 PRO A 9 -2.838 20.456 6.955 1.00 12.52 H new ATOM 118 N LYS A 10 -3.806 18.304 1.971 1.00 2.43 N ATOM 119 CA LYS A 10 -4.059 17.113 1.183 1.00 1.42 C ATOM 120 C LYS A 10 -2.893 16.785 0.263 1.00 32.24 C ATOM 121 O LYS A 10 -2.784 17.309 -0.846 1.00 12.11 O ATOM 122 CB LYS A 10 -5.360 17.252 0.393 1.00 12.03 C ATOM 123 CG LYS A 10 -6.586 17.465 1.271 1.00 64.31 C ATOM 124 CD LYS A 10 -6.767 16.317 2.253 1.00 54.12 C ATOM 125 CE LYS A 10 -7.939 16.557 3.188 1.00 14.25 C ATOM 126 NZ LYS A 10 -8.091 15.455 4.171 1.00 45.02 N ATOM 0 H LYS A 10 -4.285 19.140 1.637 1.00 2.43 H new ATOM 0 HA LYS A 10 -4.167 16.279 1.876 1.00 1.42 H new ATOM 0 HB2 LYS A 10 -5.268 18.090 -0.298 1.00 12.03 H new ATOM 0 HB3 LYS A 10 -5.507 16.356 -0.210 1.00 12.03 H new ATOM 0 HG2 LYS A 10 -6.486 18.402 1.818 1.00 64.31 H new ATOM 0 HG3 LYS A 10 -7.474 17.554 0.645 1.00 64.31 H new ATOM 0 HD2 LYS A 10 -6.924 15.389 1.703 1.00 54.12 H new ATOM 0 HD3 LYS A 10 -5.855 16.191 2.837 1.00 54.12 H new ATOM 0 HE2 LYS A 10 -7.796 17.499 3.717 1.00 14.25 H new ATOM 0 HE3 LYS A 10 -8.855 16.654 2.606 1.00 14.25 H new ATOM 0 HZ1 LYS A 10 -8.901 15.653 4.792 1.00 45.02 H new ATOM 0 HZ2 LYS A 10 -8.253 14.560 3.667 1.00 45.02 H new ATOM 0 HZ3 LYS A 10 -7.226 15.379 4.743 1.00 45.02 H new ATOM 140 N LYS A 11 -2.022 15.931 0.748 1.00 54.22 N ATOM 141 CA LYS A 11 -0.863 15.495 0.007 1.00 15.01 C ATOM 142 C LYS A 11 -0.954 13.994 -0.250 1.00 32.33 C ATOM 143 O LYS A 11 -1.204 13.222 0.678 1.00 61.53 O ATOM 144 CB LYS A 11 0.408 15.815 0.803 1.00 54.35 C ATOM 145 CG LYS A 11 1.688 15.295 0.172 1.00 63.40 C ATOM 146 CD LYS A 11 2.874 15.480 1.102 1.00 22.30 C ATOM 147 CE LYS A 11 4.123 14.823 0.543 1.00 50.33 C ATOM 148 NZ LYS A 11 5.241 14.842 1.516 1.00 1.03 N ATOM 0 H LYS A 11 -2.099 15.516 1.677 1.00 54.22 H new ATOM 0 HA LYS A 11 -0.825 16.018 -0.949 1.00 15.01 H new ATOM 0 HB2 LYS A 11 0.487 16.896 0.920 1.00 54.35 H new ATOM 0 HB3 LYS A 11 0.312 15.393 1.803 1.00 54.35 H new ATOM 0 HG2 LYS A 11 1.574 14.238 -0.070 1.00 63.40 H new ATOM 0 HG3 LYS A 11 1.873 15.819 -0.766 1.00 63.40 H new ATOM 0 HD2 LYS A 11 3.057 16.544 1.253 1.00 22.30 H new ATOM 0 HD3 LYS A 11 2.643 15.054 2.078 1.00 22.30 H new ATOM 0 HE2 LYS A 11 3.899 13.792 0.268 1.00 50.33 H new ATOM 0 HE3 LYS A 11 4.427 15.337 -0.369 1.00 50.33 H new ATOM 0 HZ1 LYS A 11 6.075 14.384 1.096 1.00 1.03 H new ATOM 0 HZ2 LYS A 11 5.473 15.826 1.760 1.00 1.03 H new ATOM 0 HZ3 LYS A 11 4.961 14.329 2.376 1.00 1.03 H new ATOM 162 N PRO A 12 -0.782 13.560 -1.510 1.00 15.22 N ATOM 163 CA PRO A 12 -0.806 12.134 -1.862 1.00 42.43 C ATOM 164 C PRO A 12 0.217 11.340 -1.054 1.00 71.54 C ATOM 165 O PRO A 12 1.380 11.738 -0.947 1.00 14.11 O ATOM 166 CB PRO A 12 -0.429 12.128 -3.347 1.00 52.01 C ATOM 167 CG PRO A 12 -0.806 13.479 -3.836 1.00 0.23 C ATOM 168 CD PRO A 12 -0.567 14.416 -2.689 1.00 45.51 C ATOM 0 HA PRO A 12 -1.771 11.672 -1.655 1.00 42.43 H new ATOM 0 HB2 PRO A 12 0.636 11.940 -3.485 1.00 52.01 H new ATOM 0 HB3 PRO A 12 -0.963 11.347 -3.888 1.00 52.01 H new ATOM 0 HG2 PRO A 12 -0.207 13.762 -4.702 1.00 0.23 H new ATOM 0 HG3 PRO A 12 -1.850 13.503 -4.149 1.00 0.23 H new ATOM 0 HD2 PRO A 12 0.441 14.829 -2.709 1.00 45.51 H new ATOM 0 HD3 PRO A 12 -1.257 15.259 -2.706 1.00 45.51 H new ATOM 176 N ARG A 13 -0.216 10.222 -0.484 1.00 4.54 N ATOM 177 CA ARG A 13 0.667 9.398 0.340 1.00 14.30 C ATOM 178 C ARG A 13 1.623 8.586 -0.527 1.00 74.20 C ATOM 179 O ARG A 13 2.608 8.026 -0.034 1.00 74.15 O ATOM 180 CB ARG A 13 -0.143 8.461 1.248 1.00 42.54 C ATOM 181 CG ARG A 13 -0.925 7.387 0.502 1.00 4.25 C ATOM 182 CD ARG A 13 -1.598 6.420 1.464 1.00 30.11 C ATOM 183 NE ARG A 13 -0.629 5.724 2.321 1.00 73.32 N ATOM 184 CZ ARG A 13 -0.961 4.890 3.311 1.00 61.44 C ATOM 185 NH1 ARG A 13 -2.236 4.647 3.578 1.00 13.40 N ATOM 186 NH2 ARG A 13 -0.014 4.304 4.029 1.00 64.20 N ATOM 0 H ARG A 13 -1.167 9.865 -0.575 1.00 4.54 H new ATOM 0 HA ARG A 13 1.252 10.070 0.968 1.00 14.30 H new ATOM 0 HB2 ARG A 13 0.536 7.978 1.950 1.00 42.54 H new ATOM 0 HB3 ARG A 13 -0.839 9.058 1.837 1.00 42.54 H new ATOM 0 HG2 ARG A 13 -1.678 7.857 -0.130 1.00 4.25 H new ATOM 0 HG3 ARG A 13 -0.253 6.838 -0.157 1.00 4.25 H new ATOM 0 HD2 ARG A 13 -2.306 6.965 2.088 1.00 30.11 H new ATOM 0 HD3 ARG A 13 -2.171 5.687 0.897 1.00 30.11 H new ATOM 0 HE ARG A 13 0.363 5.888 2.149 1.00 73.32 H new ATOM 0 HH11 ARG A 13 -2.967 5.097 3.027 1.00 13.40 H new ATOM 0 HH12 ARG A 13 -2.486 4.010 4.334 1.00 13.40 H new ATOM 0 HH21 ARG A 13 0.968 4.490 3.826 1.00 64.20 H new ATOM 0 HH22 ARG A 13 -0.267 3.667 4.785 1.00 64.20 H new ATOM 200 N GLY A 14 1.327 8.524 -1.811 1.00 71.54 N ATOM 201 CA GLY A 14 2.152 7.781 -2.724 1.00 34.03 C ATOM 202 C GLY A 14 1.518 6.473 -3.118 1.00 22.42 C ATOM 203 O GLY A 14 0.315 6.276 -2.926 1.00 4.54 O ATOM 0 H GLY A 14 0.521 8.981 -2.238 1.00 71.54 H new ATOM 0 HA2 GLY A 14 2.335 8.379 -3.617 1.00 34.03 H new ATOM 0 HA3 GLY A 14 3.122 7.590 -2.264 1.00 34.03 H new ATOM 207 N LYS A 15 2.314 5.587 -3.675 1.00 34.54 N ATOM 208 CA LYS A 15 1.838 4.277 -4.072 1.00 43.35 C ATOM 209 C LYS A 15 2.105 3.286 -2.957 1.00 13.33 C ATOM 210 O LYS A 15 2.534 3.680 -1.867 1.00 74.32 O ATOM 211 CB LYS A 15 2.496 3.840 -5.405 1.00 30.12 C ATOM 212 CG LYS A 15 4.018 4.000 -5.474 1.00 64.30 C ATOM 213 CD LYS A 15 4.743 2.900 -4.718 1.00 15.45 C ATOM 214 CE LYS A 15 6.248 3.052 -4.814 1.00 4.45 C ATOM 215 NZ LYS A 15 6.957 1.964 -4.100 1.00 0.05 N ATOM 0 H LYS A 15 3.303 5.751 -3.865 1.00 34.54 H new ATOM 0 HA LYS A 15 0.762 4.314 -4.245 1.00 43.35 H new ATOM 0 HB2 LYS A 15 2.250 2.794 -5.585 1.00 30.12 H new ATOM 0 HB3 LYS A 15 2.051 4.417 -6.216 1.00 30.12 H new ATOM 0 HG2 LYS A 15 4.336 3.993 -6.517 1.00 64.30 H new ATOM 0 HG3 LYS A 15 4.299 4.969 -5.061 1.00 64.30 H new ATOM 0 HD2 LYS A 15 4.441 2.918 -3.671 1.00 15.45 H new ATOM 0 HD3 LYS A 15 4.449 1.929 -5.117 1.00 15.45 H new ATOM 0 HE2 LYS A 15 6.547 3.054 -5.862 1.00 4.45 H new ATOM 0 HE3 LYS A 15 6.544 4.014 -4.396 1.00 4.45 H new ATOM 0 HZ1 LYS A 15 7.984 2.102 -4.188 1.00 0.05 H new ATOM 0 HZ2 LYS A 15 6.691 1.977 -3.095 1.00 0.05 H new ATOM 0 HZ3 LYS A 15 6.694 1.047 -4.515 1.00 0.05 H new ATOM 229 N MET A 16 1.858 2.009 -3.196 1.00 45.42 N ATOM 230 CA MET A 16 2.100 0.990 -2.205 1.00 31.43 C ATOM 231 C MET A 16 3.338 0.196 -2.584 1.00 32.20 C ATOM 232 O MET A 16 3.706 0.132 -3.756 1.00 33.45 O ATOM 233 CB MET A 16 0.887 0.053 -2.111 1.00 34.13 C ATOM 234 CG MET A 16 -0.422 0.762 -1.784 1.00 34.03 C ATOM 235 SD MET A 16 -1.872 -0.312 -1.952 1.00 71.40 S ATOM 236 CE MET A 16 -1.523 -1.570 -0.727 1.00 73.20 C ATOM 0 H MET A 16 1.487 1.657 -4.078 1.00 45.42 H new ATOM 0 HA MET A 16 2.258 1.462 -1.235 1.00 31.43 H new ATOM 0 HB2 MET A 16 0.775 -0.475 -3.058 1.00 34.13 H new ATOM 0 HB3 MET A 16 1.081 -0.700 -1.347 1.00 34.13 H new ATOM 0 HG2 MET A 16 -0.376 1.144 -0.764 1.00 34.03 H new ATOM 0 HG3 MET A 16 -0.537 1.623 -2.443 1.00 34.03 H new ATOM 0 HE1 MET A 16 -2.409 -2.187 -0.577 1.00 73.20 H new ATOM 0 HE2 MET A 16 -0.700 -2.195 -1.072 1.00 73.20 H new ATOM 0 HE3 MET A 16 -1.248 -1.095 0.214 1.00 73.20 H new ATOM 246 N SER A 17 3.982 -0.395 -1.608 1.00 3.24 N ATOM 247 CA SER A 17 5.141 -1.215 -1.870 1.00 64.25 C ATOM 248 C SER A 17 4.695 -2.626 -2.215 1.00 43.44 C ATOM 249 O SER A 17 3.582 -3.029 -1.860 1.00 22.22 O ATOM 250 CB SER A 17 6.058 -1.224 -0.649 1.00 42.51 C ATOM 251 OG SER A 17 6.412 0.098 -0.277 1.00 21.12 O ATOM 0 H SER A 17 3.724 -0.324 -0.624 1.00 3.24 H new ATOM 0 HA SER A 17 5.696 -0.805 -2.714 1.00 64.25 H new ATOM 0 HB2 SER A 17 5.558 -1.720 0.183 1.00 42.51 H new ATOM 0 HB3 SER A 17 6.958 -1.799 -0.868 1.00 42.51 H new ATOM 0 HG SER A 17 6.998 0.071 0.508 1.00 21.12 H new ATOM 257 N SER A 18 5.540 -3.368 -2.917 1.00 74.54 N ATOM 258 CA SER A 18 5.256 -4.739 -3.304 1.00 74.23 C ATOM 259 C SER A 18 4.837 -5.604 -2.119 1.00 21.40 C ATOM 260 O SER A 18 3.960 -6.461 -2.252 1.00 34.24 O ATOM 261 CB SER A 18 6.464 -5.332 -4.006 1.00 12.22 C ATOM 262 OG SER A 18 7.659 -5.016 -3.309 1.00 32.12 O ATOM 0 H SER A 18 6.448 -3.031 -3.235 1.00 74.54 H new ATOM 0 HA SER A 18 4.409 -4.723 -3.990 1.00 74.23 H new ATOM 0 HB2 SER A 18 6.354 -6.414 -4.076 1.00 12.22 H new ATOM 0 HB3 SER A 18 6.521 -4.951 -5.026 1.00 12.22 H new ATOM 0 HG SER A 18 8.257 -4.509 -3.897 1.00 32.12 H new ATOM 268 N TYR A 19 5.456 -5.377 -0.961 1.00 23.14 N ATOM 269 CA TYR A 19 5.104 -6.118 0.239 1.00 72.24 C ATOM 270 C TYR A 19 3.644 -5.885 0.600 1.00 21.35 C ATOM 271 O TYR A 19 2.941 -6.816 0.973 1.00 54.43 O ATOM 272 CB TYR A 19 6.011 -5.737 1.420 1.00 24.32 C ATOM 273 CG TYR A 19 5.608 -6.400 2.729 1.00 63.40 C ATOM 274 CD1 TYR A 19 5.776 -7.766 2.920 1.00 75.33 C ATOM 275 CD2 TYR A 19 5.049 -5.657 3.764 1.00 34.03 C ATOM 276 CE1 TYR A 19 5.396 -8.375 4.103 1.00 53.03 C ATOM 277 CE2 TYR A 19 4.672 -6.258 4.951 1.00 21.12 C ATOM 278 CZ TYR A 19 4.845 -7.617 5.115 1.00 1.34 C ATOM 279 OH TYR A 19 4.460 -8.220 6.295 1.00 2.45 O ATOM 0 H TYR A 19 6.199 -4.689 -0.833 1.00 23.14 H new ATOM 0 HA TYR A 19 5.252 -7.177 0.030 1.00 72.24 H new ATOM 0 HB2 TYR A 19 7.039 -6.012 1.183 1.00 24.32 H new ATOM 0 HB3 TYR A 19 5.993 -4.655 1.549 1.00 24.32 H new ATOM 0 HD1 TYR A 19 6.211 -8.363 2.132 1.00 75.33 H new ATOM 0 HD2 TYR A 19 4.907 -4.594 3.638 1.00 34.03 H new ATOM 0 HE1 TYR A 19 5.530 -9.439 4.233 1.00 53.03 H new ATOM 0 HE2 TYR A 19 4.244 -5.666 5.746 1.00 21.12 H new ATOM 0 HH TYR A 19 4.774 -9.148 6.306 1.00 2.45 H new ATOM 289 N ALA A 20 3.180 -4.645 0.447 1.00 14.32 N ATOM 290 CA ALA A 20 1.807 -4.307 0.765 1.00 70.21 C ATOM 291 C ALA A 20 0.867 -5.001 -0.205 1.00 5.14 C ATOM 292 O ALA A 20 -0.114 -5.621 0.207 1.00 43.11 O ATOM 293 CB ALA A 20 1.607 -2.801 0.726 1.00 33.54 C ATOM 0 H ALA A 20 3.740 -3.864 0.105 1.00 14.32 H new ATOM 0 HA ALA A 20 1.582 -4.651 1.775 1.00 70.21 H new ATOM 0 HB1 ALA A 20 0.570 -2.565 0.967 1.00 33.54 H new ATOM 0 HB2 ALA A 20 2.266 -2.328 1.454 1.00 33.54 H new ATOM 0 HB3 ALA A 20 1.841 -2.429 -0.271 1.00 33.54 H new ATOM 299 N PHE A 21 1.160 -4.878 -1.504 1.00 61.10 N ATOM 300 CA PHE A 21 0.399 -5.586 -2.531 1.00 41.23 C ATOM 301 C PHE A 21 0.336 -7.082 -2.228 1.00 72.45 C ATOM 302 O PHE A 21 -0.682 -7.728 -2.458 1.00 5.51 O ATOM 303 CB PHE A 21 1.006 -5.367 -3.922 1.00 52.31 C ATOM 304 CG PHE A 21 0.825 -3.980 -4.475 1.00 52.42 C ATOM 305 CD1 PHE A 21 -0.424 -3.538 -4.873 1.00 12.34 C ATOM 306 CD2 PHE A 21 1.905 -3.126 -4.611 1.00 51.34 C ATOM 307 CE1 PHE A 21 -0.594 -2.270 -5.395 1.00 1.32 C ATOM 308 CE2 PHE A 21 1.741 -1.858 -5.131 1.00 34.53 C ATOM 309 CZ PHE A 21 0.490 -1.429 -5.523 1.00 32.51 C ATOM 0 H PHE A 21 1.916 -4.296 -1.865 1.00 61.10 H new ATOM 0 HA PHE A 21 -0.612 -5.179 -2.524 1.00 41.23 H new ATOM 0 HB2 PHE A 21 2.072 -5.590 -3.877 1.00 52.31 H new ATOM 0 HB3 PHE A 21 0.560 -6.081 -4.615 1.00 52.31 H new ATOM 0 HD1 PHE A 21 -1.277 -4.193 -4.774 1.00 12.34 H new ATOM 0 HD2 PHE A 21 2.888 -3.455 -4.307 1.00 51.34 H new ATOM 0 HE1 PHE A 21 -1.575 -1.939 -5.702 1.00 1.32 H new ATOM 0 HE2 PHE A 21 2.593 -1.201 -5.231 1.00 34.53 H new ATOM 0 HZ PHE A 21 0.360 -0.437 -5.929 1.00 32.51 H new ATOM 319 N PHE A 22 1.421 -7.629 -1.709 1.00 40.51 N ATOM 320 CA PHE A 22 1.462 -9.035 -1.349 1.00 2.32 C ATOM 321 C PHE A 22 0.549 -9.321 -0.157 1.00 2.14 C ATOM 322 O PHE A 22 -0.124 -10.349 -0.115 1.00 74.32 O ATOM 323 CB PHE A 22 2.890 -9.480 -1.046 1.00 74.44 C ATOM 324 CG PHE A 22 2.972 -10.881 -0.522 1.00 0.04 C ATOM 325 CD1 PHE A 22 2.618 -11.955 -1.322 1.00 2.34 C ATOM 326 CD2 PHE A 22 3.392 -11.123 0.771 1.00 4.43 C ATOM 327 CE1 PHE A 22 2.681 -13.244 -0.837 1.00 61.21 C ATOM 328 CE2 PHE A 22 3.459 -12.407 1.259 1.00 43.41 C ATOM 329 CZ PHE A 22 3.103 -13.469 0.455 1.00 21.11 C ATOM 0 H PHE A 22 2.286 -7.120 -1.527 1.00 40.51 H new ATOM 0 HA PHE A 22 1.099 -9.607 -2.203 1.00 2.32 H new ATOM 0 HB2 PHE A 22 3.488 -9.403 -1.954 1.00 74.44 H new ATOM 0 HB3 PHE A 22 3.329 -8.800 -0.316 1.00 74.44 H new ATOM 0 HD1 PHE A 22 2.289 -11.781 -2.336 1.00 2.34 H new ATOM 0 HD2 PHE A 22 3.671 -10.295 1.406 1.00 4.43 H new ATOM 0 HE1 PHE A 22 2.400 -14.075 -1.468 1.00 61.21 H new ATOM 0 HE2 PHE A 22 3.790 -12.583 2.272 1.00 43.41 H new ATOM 0 HZ PHE A 22 3.155 -14.477 0.838 1.00 21.11 H new ATOM 339 N VAL A 23 0.514 -8.394 0.795 1.00 73.30 N ATOM 340 CA VAL A 23 -0.321 -8.533 1.991 1.00 4.43 C ATOM 341 C VAL A 23 -1.800 -8.677 1.608 1.00 42.24 C ATOM 342 O VAL A 23 -2.552 -9.420 2.246 1.00 4.24 O ATOM 343 CB VAL A 23 -0.137 -7.317 2.950 1.00 71.20 C ATOM 344 CG1 VAL A 23 -1.133 -7.360 4.098 1.00 52.43 C ATOM 345 CG2 VAL A 23 1.280 -7.280 3.495 1.00 31.41 C ATOM 0 H VAL A 23 1.057 -7.531 0.764 1.00 73.30 H new ATOM 0 HA VAL A 23 -0.002 -9.436 2.512 1.00 4.43 H new ATOM 0 HB VAL A 23 -0.322 -6.411 2.373 1.00 71.20 H new ATOM 0 HG11 VAL A 23 -0.977 -6.498 4.747 1.00 52.43 H new ATOM 0 HG12 VAL A 23 -2.148 -7.336 3.700 1.00 52.43 H new ATOM 0 HG13 VAL A 23 -0.989 -8.276 4.670 1.00 52.43 H new ATOM 0 HG21 VAL A 23 1.391 -6.425 4.162 1.00 31.41 H new ATOM 0 HG22 VAL A 23 1.482 -8.199 4.045 1.00 31.41 H new ATOM 0 HG23 VAL A 23 1.985 -7.189 2.669 1.00 31.41 H new ATOM 355 N GLN A 24 -2.189 -8.007 0.537 1.00 60.32 N ATOM 356 CA GLN A 24 -3.577 -8.069 0.102 1.00 34.42 C ATOM 357 C GLN A 24 -3.783 -9.244 -0.863 1.00 31.33 C ATOM 358 O GLN A 24 -4.783 -9.954 -0.783 1.00 4.34 O ATOM 359 CB GLN A 24 -4.031 -6.740 -0.526 1.00 44.13 C ATOM 360 CG GLN A 24 -3.211 -6.302 -1.726 1.00 4.11 C ATOM 361 CD GLN A 24 -3.635 -4.957 -2.279 1.00 73.11 C ATOM 362 OE1 GLN A 24 -2.820 -4.217 -2.825 1.00 34.35 O ATOM 363 NE2 GLN A 24 -4.906 -4.633 -2.151 1.00 74.43 N ATOM 0 H GLN A 24 -1.580 -7.425 -0.038 1.00 60.32 H new ATOM 0 HA GLN A 24 -4.200 -8.236 0.980 1.00 34.42 H new ATOM 0 HB2 GLN A 24 -5.074 -6.832 -0.828 1.00 44.13 H new ATOM 0 HB3 GLN A 24 -3.987 -5.959 0.233 1.00 44.13 H new ATOM 0 HG2 GLN A 24 -2.160 -6.256 -1.442 1.00 4.11 H new ATOM 0 HG3 GLN A 24 -3.297 -7.054 -2.511 1.00 4.11 H new ATOM 0 HE21 GLN A 24 -5.552 -5.275 -1.691 1.00 74.43 H new ATOM 0 HE22 GLN A 24 -5.244 -3.741 -2.512 1.00 74.43 H new ATOM 372 N THR A 25 -2.815 -9.458 -1.756 1.00 34.55 N ATOM 373 CA THR A 25 -2.849 -10.558 -2.724 1.00 23.54 C ATOM 374 C THR A 25 -2.722 -11.930 -2.022 1.00 45.21 C ATOM 375 O THR A 25 -2.958 -12.981 -2.625 1.00 72.11 O ATOM 376 CB THR A 25 -1.740 -10.396 -3.797 1.00 15.30 C ATOM 377 OG1 THR A 25 -1.845 -9.094 -4.397 1.00 55.54 O ATOM 378 CG2 THR A 25 -1.862 -11.455 -4.892 1.00 25.00 C ATOM 0 H THR A 25 -1.983 -8.872 -1.829 1.00 34.55 H new ATOM 0 HA THR A 25 -3.817 -10.520 -3.223 1.00 23.54 H new ATOM 0 HB THR A 25 -0.775 -10.517 -3.305 1.00 15.30 H new ATOM 0 HG1 THR A 25 -1.230 -8.477 -3.949 1.00 55.54 H new ATOM 0 HG21 THR A 25 -1.070 -11.312 -5.627 1.00 25.00 H new ATOM 0 HG22 THR A 25 -1.772 -12.447 -4.450 1.00 25.00 H new ATOM 0 HG23 THR A 25 -2.832 -11.362 -5.381 1.00 25.00 H new ATOM 386 N CYS A 26 -2.397 -11.914 -0.745 1.00 51.21 N ATOM 387 CA CYS A 26 -2.255 -13.145 0.014 1.00 11.54 C ATOM 388 C CYS A 26 -3.637 -13.608 0.451 1.00 12.52 C ATOM 389 O CYS A 26 -3.901 -14.799 0.601 1.00 10.23 O ATOM 390 CB CYS A 26 -1.344 -12.902 1.237 1.00 54.13 C ATOM 391 SG CYS A 26 -0.717 -14.410 2.055 1.00 43.24 S ATOM 0 H CYS A 26 -2.226 -11.063 -0.209 1.00 51.21 H new ATOM 0 HA CYS A 26 -1.795 -13.919 -0.601 1.00 11.54 H new ATOM 0 HB2 CYS A 26 -0.493 -12.299 0.921 1.00 54.13 H new ATOM 0 HB3 CYS A 26 -1.897 -12.314 1.970 1.00 54.13 H new ATOM 396 N ARG A 27 -4.527 -12.637 0.625 1.00 63.15 N ATOM 397 CA ARG A 27 -5.899 -12.905 1.013 1.00 21.44 C ATOM 398 C ARG A 27 -6.684 -13.535 -0.119 1.00 14.11 C ATOM 399 O ARG A 27 -7.561 -14.352 0.123 1.00 74.20 O ATOM 400 CB ARG A 27 -6.604 -11.623 1.454 1.00 32.44 C ATOM 401 CG ARG A 27 -6.532 -11.345 2.939 1.00 23.44 C ATOM 402 CD ARG A 27 -5.135 -10.977 3.391 1.00 54.25 C ATOM 403 NE ARG A 27 -5.080 -10.862 4.840 1.00 44.32 N ATOM 404 CZ ARG A 27 -4.081 -10.331 5.530 1.00 24.55 C ATOM 405 NH1 ARG A 27 -3.027 -9.825 4.916 1.00 43.30 N ATOM 406 NH2 ARG A 27 -4.143 -10.307 6.845 1.00 23.33 N ATOM 0 H ARG A 27 -4.315 -11.647 0.501 1.00 63.15 H new ATOM 0 HA ARG A 27 -5.860 -13.604 1.848 1.00 21.44 H new ATOM 0 HB2 ARG A 27 -6.167 -10.781 0.918 1.00 32.44 H new ATOM 0 HB3 ARG A 27 -7.652 -11.680 1.158 1.00 32.44 H new ATOM 0 HG2 ARG A 27 -7.217 -10.534 3.187 1.00 23.44 H new ATOM 0 HG3 ARG A 27 -6.868 -12.225 3.487 1.00 23.44 H new ATOM 0 HD2 ARG A 27 -4.427 -11.734 3.054 1.00 54.25 H new ATOM 0 HD3 ARG A 27 -4.836 -10.034 2.934 1.00 54.25 H new ATOM 0 HE ARG A 27 -5.876 -11.219 5.368 1.00 44.32 H new ATOM 0 HH11 ARG A 27 -2.974 -9.840 3.897 1.00 43.30 H new ATOM 0 HH12 ARG A 27 -2.266 -9.420 5.460 1.00 43.30 H new ATOM 0 HH21 ARG A 27 -4.955 -10.695 7.324 1.00 23.33 H new ATOM 0 HH22 ARG A 27 -3.379 -9.900 7.384 1.00 23.33 H new ATOM 420 N GLU A 28 -6.351 -13.158 -1.350 1.00 2.14 N ATOM 421 CA GLU A 28 -7.088 -13.611 -2.530 1.00 31.43 C ATOM 422 C GLU A 28 -7.238 -15.140 -2.576 1.00 54.30 C ATOM 423 O GLU A 28 -8.310 -15.672 -2.263 1.00 50.25 O ATOM 424 CB GLU A 28 -6.402 -13.097 -3.807 1.00 31.53 C ATOM 425 CG GLU A 28 -7.129 -13.446 -5.099 1.00 22.23 C ATOM 426 CD GLU A 28 -8.558 -12.952 -5.115 1.00 11.43 C ATOM 427 OE1 GLU A 28 -8.768 -11.724 -5.042 1.00 33.04 O ATOM 428 OE2 GLU A 28 -9.482 -13.794 -5.184 1.00 45.25 O ATOM 0 H GLU A 28 -5.570 -12.536 -1.559 1.00 2.14 H new ATOM 0 HA GLU A 28 -8.094 -13.197 -2.467 1.00 31.43 H new ATOM 0 HB2 GLU A 28 -6.305 -12.013 -3.741 1.00 31.53 H new ATOM 0 HB3 GLU A 28 -5.392 -13.505 -3.851 1.00 31.53 H new ATOM 0 HG2 GLU A 28 -6.590 -13.015 -5.943 1.00 22.23 H new ATOM 0 HG3 GLU A 28 -7.121 -14.527 -5.235 1.00 22.23 H new ATOM 435 N GLU A 29 -6.173 -15.840 -2.968 1.00 1.35 N ATOM 436 CA GLU A 29 -6.175 -17.298 -3.060 1.00 42.31 C ATOM 437 C GLU A 29 -6.579 -17.971 -1.756 1.00 43.12 C ATOM 438 O GLU A 29 -7.375 -18.906 -1.760 1.00 11.23 O ATOM 439 CB GLU A 29 -4.796 -17.800 -3.467 1.00 21.12 C ATOM 440 CG GLU A 29 -4.332 -17.303 -4.817 1.00 70.15 C ATOM 441 CD GLU A 29 -5.288 -17.668 -5.915 1.00 62.54 C ATOM 442 OE1 GLU A 29 -5.390 -18.868 -6.250 1.00 22.12 O ATOM 443 OE2 GLU A 29 -5.963 -16.772 -6.436 1.00 24.42 O ATOM 0 H GLU A 29 -5.285 -15.411 -3.230 1.00 1.35 H new ATOM 0 HA GLU A 29 -6.917 -17.560 -3.815 1.00 42.31 H new ATOM 0 HB2 GLU A 29 -4.072 -17.495 -2.711 1.00 21.12 H new ATOM 0 HB3 GLU A 29 -4.806 -18.890 -3.477 1.00 21.12 H new ATOM 0 HG2 GLU A 29 -4.217 -16.220 -4.783 1.00 70.15 H new ATOM 0 HG3 GLU A 29 -3.350 -17.721 -5.038 1.00 70.15 H new ATOM 450 N HIS A 30 -6.037 -17.487 -0.650 1.00 34.45 N ATOM 451 CA HIS A 30 -6.261 -18.115 0.646 1.00 23.01 C ATOM 452 C HIS A 30 -7.735 -18.096 1.041 1.00 43.23 C ATOM 453 O HIS A 30 -8.271 -19.108 1.481 1.00 73.43 O ATOM 454 CB HIS A 30 -5.410 -17.445 1.722 1.00 70.24 C ATOM 455 CG HIS A 30 -5.200 -18.291 2.942 1.00 12.23 C ATOM 456 ND1 HIS A 30 -4.079 -19.071 3.127 1.00 44.22 N ATOM 457 CD2 HIS A 30 -5.958 -18.462 4.051 1.00 42.44 C ATOM 458 CE1 HIS A 30 -4.156 -19.683 4.291 1.00 52.24 C ATOM 459 NE2 HIS A 30 -5.286 -19.329 4.873 1.00 44.13 N ATOM 0 H HIS A 30 -5.439 -16.661 -0.622 1.00 34.45 H new ATOM 0 HA HIS A 30 -5.960 -19.159 0.558 1.00 23.01 H new ATOM 0 HB2 HIS A 30 -4.439 -17.189 1.297 1.00 70.24 H new ATOM 0 HB3 HIS A 30 -5.885 -16.510 2.017 1.00 70.24 H new ATOM 0 HD2 HIS A 30 -6.914 -18.001 4.251 1.00 42.44 H new ATOM 0 HE1 HIS A 30 -3.420 -20.359 4.699 1.00 52.24 H new ATOM 0 HE2 HIS A 30 -5.607 -19.649 5.787 1.00 44.13 H new ATOM 468 N LYS A 31 -8.387 -16.953 0.882 1.00 20.10 N ATOM 469 CA LYS A 31 -9.794 -16.841 1.238 1.00 24.52 C ATOM 470 C LYS A 31 -10.679 -17.548 0.231 1.00 33.13 C ATOM 471 O LYS A 31 -11.741 -18.053 0.581 1.00 23.11 O ATOM 472 CB LYS A 31 -10.226 -15.383 1.386 1.00 71.32 C ATOM 473 CG LYS A 31 -9.726 -14.714 2.656 1.00 44.42 C ATOM 474 CD LYS A 31 -10.294 -13.313 2.795 1.00 73.22 C ATOM 475 CE LYS A 31 -9.933 -12.694 4.136 1.00 22.45 C ATOM 476 NZ LYS A 31 -10.527 -11.342 4.301 1.00 21.42 N ATOM 0 H LYS A 31 -7.970 -16.099 0.513 1.00 20.10 H new ATOM 0 HA LYS A 31 -9.913 -17.330 2.205 1.00 24.52 H new ATOM 0 HB2 LYS A 31 -9.866 -14.819 0.525 1.00 71.32 H new ATOM 0 HB3 LYS A 31 -11.315 -15.334 1.367 1.00 71.32 H new ATOM 0 HG2 LYS A 31 -10.009 -15.312 3.522 1.00 44.42 H new ATOM 0 HG3 LYS A 31 -8.637 -14.669 2.643 1.00 44.42 H new ATOM 0 HD2 LYS A 31 -9.915 -12.684 1.989 1.00 73.22 H new ATOM 0 HD3 LYS A 31 -11.378 -13.347 2.689 1.00 73.22 H new ATOM 0 HE2 LYS A 31 -10.279 -13.343 4.940 1.00 22.45 H new ATOM 0 HE3 LYS A 31 -8.849 -12.627 4.225 1.00 22.45 H new ATOM 0 HZ1 LYS A 31 -10.257 -10.955 5.228 1.00 21.42 H new ATOM 0 HZ2 LYS A 31 -10.177 -10.715 3.549 1.00 21.42 H new ATOM 0 HZ3 LYS A 31 -11.563 -11.409 4.242 1.00 21.42 H new ATOM 490 N LYS A 32 -10.267 -17.566 -1.026 1.00 41.41 N ATOM 491 CA LYS A 32 -11.037 -18.248 -2.042 1.00 3.14 C ATOM 492 C LYS A 32 -10.973 -19.765 -1.863 1.00 13.52 C ATOM 493 O LYS A 32 -12.008 -20.417 -1.737 1.00 21.40 O ATOM 494 CB LYS A 32 -10.583 -17.836 -3.442 1.00 24.32 C ATOM 495 CG LYS A 32 -11.571 -18.212 -4.533 1.00 3.04 C ATOM 496 CD LYS A 32 -11.233 -17.533 -5.844 1.00 15.22 C ATOM 497 CE LYS A 32 -12.279 -17.823 -6.905 1.00 64.23 C ATOM 498 NZ LYS A 32 -11.952 -17.171 -8.199 1.00 75.14 N ATOM 0 H LYS A 32 -9.413 -17.120 -1.361 1.00 41.41 H new ATOM 0 HA LYS A 32 -12.079 -17.948 -1.927 1.00 3.14 H new ATOM 0 HB2 LYS A 32 -10.425 -16.758 -3.462 1.00 24.32 H new ATOM 0 HB3 LYS A 32 -9.622 -18.303 -3.656 1.00 24.32 H new ATOM 0 HG2 LYS A 32 -11.569 -19.293 -4.671 1.00 3.04 H new ATOM 0 HG3 LYS A 32 -12.579 -17.932 -4.226 1.00 3.04 H new ATOM 0 HD2 LYS A 32 -11.159 -16.457 -5.689 1.00 15.22 H new ATOM 0 HD3 LYS A 32 -10.257 -17.873 -6.191 1.00 15.22 H new ATOM 0 HE2 LYS A 32 -12.359 -18.900 -7.051 1.00 64.23 H new ATOM 0 HE3 LYS A 32 -13.253 -17.476 -6.559 1.00 64.23 H new ATOM 0 HZ1 LYS A 32 -12.691 -17.394 -8.896 1.00 75.14 H new ATOM 0 HZ2 LYS A 32 -11.901 -16.141 -8.066 1.00 75.14 H new ATOM 0 HZ3 LYS A 32 -11.035 -17.521 -8.542 1.00 75.14 H new ATOM 512 N LYS A 33 -9.760 -20.336 -1.853 1.00 41.14 N ATOM 513 CA LYS A 33 -9.570 -21.778 -1.663 1.00 63.40 C ATOM 514 C LYS A 33 -10.105 -22.230 -0.301 1.00 73.44 C ATOM 515 O LYS A 33 -10.542 -23.367 -0.141 1.00 51.31 O ATOM 516 CB LYS A 33 -8.084 -22.150 -1.781 1.00 13.01 C ATOM 517 CG LYS A 33 -7.482 -21.952 -3.171 1.00 50.03 C ATOM 518 CD LYS A 33 -8.167 -22.831 -4.209 1.00 33.42 C ATOM 519 CE LYS A 33 -7.385 -22.875 -5.518 1.00 30.34 C ATOM 520 NZ LYS A 33 -7.204 -21.527 -6.118 1.00 2.14 N ATOM 0 H LYS A 33 -8.891 -19.815 -1.975 1.00 41.14 H new ATOM 0 HA LYS A 33 -10.130 -22.289 -2.446 1.00 63.40 H new ATOM 0 HB2 LYS A 33 -7.517 -21.553 -1.067 1.00 13.01 H new ATOM 0 HB3 LYS A 33 -7.961 -23.194 -1.493 1.00 13.01 H new ATOM 0 HG2 LYS A 33 -7.574 -20.906 -3.462 1.00 50.03 H new ATOM 0 HG3 LYS A 33 -6.417 -22.183 -3.143 1.00 50.03 H new ATOM 0 HD2 LYS A 33 -8.274 -23.842 -3.816 1.00 33.42 H new ATOM 0 HD3 LYS A 33 -9.172 -22.454 -4.398 1.00 33.42 H new ATOM 0 HE2 LYS A 33 -6.408 -23.324 -5.339 1.00 30.34 H new ATOM 0 HE3 LYS A 33 -7.906 -23.518 -6.227 1.00 30.34 H new ATOM 0 HZ1 LYS A 33 -6.712 -21.616 -7.030 1.00 2.14 H new ATOM 0 HZ2 LYS A 33 -8.134 -21.086 -6.268 1.00 2.14 H new ATOM 0 HZ3 LYS A 33 -6.639 -20.934 -5.476 1.00 2.14 H new ATOM 534 N HIS A 34 -10.065 -21.332 0.670 1.00 62.31 N ATOM 535 CA HIS A 34 -10.557 -21.613 2.014 1.00 34.15 C ATOM 536 C HIS A 34 -11.450 -20.476 2.480 1.00 65.14 C ATOM 537 O HIS A 34 -10.971 -19.501 3.063 1.00 11.41 O ATOM 538 CB HIS A 34 -9.404 -21.803 3.012 1.00 23.24 C ATOM 539 CG HIS A 34 -8.730 -23.141 2.947 1.00 23.03 C ATOM 540 ND1 HIS A 34 -8.735 -24.035 3.994 1.00 2.24 N ATOM 541 CD2 HIS A 34 -8.000 -23.721 1.972 1.00 2.12 C ATOM 542 CE1 HIS A 34 -8.038 -25.099 3.668 1.00 14.23 C ATOM 543 NE2 HIS A 34 -7.580 -24.938 2.445 1.00 51.33 N ATOM 0 H HIS A 34 -9.692 -20.390 0.552 1.00 62.31 H new ATOM 0 HA HIS A 34 -11.125 -22.542 1.974 1.00 34.15 H new ATOM 0 HB2 HIS A 34 -8.659 -21.027 2.836 1.00 23.24 H new ATOM 0 HB3 HIS A 34 -9.787 -21.654 4.021 1.00 23.24 H new ATOM 0 HD2 HIS A 34 -7.786 -23.304 0.999 1.00 2.12 H new ATOM 0 HE1 HIS A 34 -7.869 -25.960 4.297 1.00 14.23 H new ATOM 0 HE2 HIS A 34 -7.007 -25.608 1.933 1.00 51.33 H new ATOM 552 N PRO A 35 -12.765 -20.574 2.217 1.00 43.12 N ATOM 553 CA PRO A 35 -13.722 -19.521 2.582 1.00 5.51 C ATOM 554 C PRO A 35 -13.776 -19.292 4.083 1.00 42.31 C ATOM 555 O PRO A 35 -14.086 -18.193 4.547 1.00 23.42 O ATOM 556 CB PRO A 35 -15.067 -20.058 2.073 1.00 72.53 C ATOM 557 CG PRO A 35 -14.866 -21.525 1.913 1.00 63.51 C ATOM 558 CD PRO A 35 -13.423 -21.709 1.549 1.00 50.34 C ATOM 0 HA PRO A 35 -13.448 -18.557 2.153 1.00 5.51 H new ATOM 0 HB2 PRO A 35 -15.869 -19.845 2.780 1.00 72.53 H new ATOM 0 HB3 PRO A 35 -15.344 -19.593 1.127 1.00 72.53 H new ATOM 0 HG2 PRO A 35 -15.106 -22.054 2.835 1.00 63.51 H new ATOM 0 HG3 PRO A 35 -15.518 -21.925 1.137 1.00 63.51 H new ATOM 0 HD2 PRO A 35 -13.036 -22.665 1.903 1.00 50.34 H new ATOM 0 HD3 PRO A 35 -13.273 -21.684 0.470 1.00 50.34 H new ATOM 566 N ASP A 36 -13.453 -20.323 4.834 1.00 32.42 N ATOM 567 CA ASP A 36 -13.471 -20.285 6.279 1.00 24.40 C ATOM 568 C ASP A 36 -12.116 -19.854 6.848 1.00 14.23 C ATOM 569 O ASP A 36 -11.783 -20.215 7.978 1.00 33.41 O ATOM 570 CB ASP A 36 -13.851 -21.664 6.821 1.00 4.02 C ATOM 571 CG ASP A 36 -12.868 -22.740 6.409 1.00 61.24 C ATOM 572 OD1 ASP A 36 -12.826 -23.089 5.210 1.00 1.42 O ATOM 573 OD2 ASP A 36 -12.137 -23.250 7.281 1.00 61.45 O ATOM 0 H ASP A 36 -13.166 -21.224 4.451 1.00 32.42 H new ATOM 0 HA ASP A 36 -14.211 -19.548 6.591 1.00 24.40 H new ATOM 0 HB2 ASP A 36 -13.903 -21.621 7.909 1.00 4.02 H new ATOM 0 HB3 ASP A 36 -14.846 -21.930 6.464 1.00 4.02 H new ATOM 578 N ALA A 37 -11.331 -19.101 6.043 1.00 53.41 N ATOM 579 CA ALA A 37 -9.997 -18.586 6.450 1.00 52.01 C ATOM 580 C ALA A 37 -9.969 -18.169 7.929 1.00 62.24 C ATOM 581 O ALA A 37 -9.040 -18.521 8.657 1.00 14.22 O ATOM 582 CB ALA A 37 -9.587 -17.419 5.561 1.00 70.50 C ATOM 0 H ALA A 37 -11.600 -18.833 5.097 1.00 53.41 H new ATOM 0 HA ALA A 37 -9.280 -19.398 6.327 1.00 52.01 H new ATOM 0 HB1 ALA A 37 -8.608 -17.052 5.871 1.00 70.50 H new ATOM 0 HB2 ALA A 37 -9.539 -17.751 4.524 1.00 70.50 H new ATOM 0 HB3 ALA A 37 -10.320 -16.618 5.651 1.00 70.50 H new ATOM 588 N SER A 38 -11.025 -17.463 8.366 1.00 2.32 N ATOM 589 CA SER A 38 -11.201 -17.084 9.778 1.00 11.24 C ATOM 590 C SER A 38 -9.936 -16.438 10.377 1.00 42.34 C ATOM 591 O SER A 38 -9.645 -16.618 11.560 1.00 52.42 O ATOM 592 CB SER A 38 -11.608 -18.306 10.605 1.00 40.14 C ATOM 593 OG SER A 38 -12.792 -18.892 10.088 1.00 23.13 O ATOM 0 H SER A 38 -11.776 -17.141 7.755 1.00 2.32 H new ATOM 0 HA SER A 38 -11.993 -16.336 9.813 1.00 11.24 H new ATOM 0 HB2 SER A 38 -10.802 -19.039 10.600 1.00 40.14 H new ATOM 0 HB3 SER A 38 -11.765 -18.012 11.643 1.00 40.14 H new ATOM 0 HG SER A 38 -12.556 -19.609 9.463 1.00 23.13 H new ATOM 599 N VAL A 39 -9.207 -15.667 9.579 1.00 22.31 N ATOM 600 CA VAL A 39 -7.980 -15.040 10.056 1.00 51.24 C ATOM 601 C VAL A 39 -7.976 -13.546 9.752 1.00 71.31 C ATOM 602 O VAL A 39 -7.970 -13.137 8.590 1.00 73.12 O ATOM 603 CB VAL A 39 -6.706 -15.701 9.462 1.00 21.12 C ATOM 604 CG1 VAL A 39 -6.442 -17.042 10.126 1.00 63.21 C ATOM 605 CG2 VAL A 39 -6.833 -15.873 7.952 1.00 23.43 C ATOM 0 H VAL A 39 -9.441 -15.462 8.608 1.00 22.31 H new ATOM 0 HA VAL A 39 -7.958 -15.188 11.136 1.00 51.24 H new ATOM 0 HB VAL A 39 -5.861 -15.041 9.660 1.00 21.12 H new ATOM 0 HG11 VAL A 39 -5.546 -17.490 9.697 1.00 63.21 H new ATOM 0 HG12 VAL A 39 -6.298 -16.896 11.197 1.00 63.21 H new ATOM 0 HG13 VAL A 39 -7.293 -17.703 9.961 1.00 63.21 H new ATOM 0 HG21 VAL A 39 -5.928 -16.338 7.561 1.00 23.43 H new ATOM 0 HG22 VAL A 39 -7.692 -16.506 7.729 1.00 23.43 H new ATOM 0 HG23 VAL A 39 -6.971 -14.898 7.485 1.00 23.43 H new ATOM 615 N ASN A 40 -8.051 -12.750 10.802 1.00 12.51 N ATOM 616 CA ASN A 40 -8.047 -11.283 10.693 1.00 52.53 C ATOM 617 C ASN A 40 -6.784 -10.732 10.000 1.00 73.34 C ATOM 618 O ASN A 40 -5.923 -11.486 9.525 1.00 32.14 O ATOM 619 CB ASN A 40 -8.191 -10.651 12.079 1.00 12.13 C ATOM 620 CG ASN A 40 -9.494 -11.017 12.756 1.00 33.43 C ATOM 621 OD1 ASN A 40 -10.505 -10.339 12.590 1.00 53.20 O ATOM 622 ND2 ASN A 40 -9.479 -12.085 13.527 1.00 23.41 N ATOM 0 H ASN A 40 -8.117 -13.092 11.761 1.00 12.51 H new ATOM 0 HA ASN A 40 -8.898 -11.015 10.067 1.00 52.53 H new ATOM 0 HB2 ASN A 40 -7.359 -10.969 12.707 1.00 12.13 H new ATOM 0 HB3 ASN A 40 -8.126 -9.567 11.988 1.00 12.13 H new ATOM 0 HD21 ASN A 40 -10.328 -12.376 14.012 1.00 23.41 H new ATOM 0 HD22 ASN A 40 -8.619 -12.621 13.639 1.00 23.41 H new ATOM 629 N PHE A 41 -6.671 -9.413 9.978 1.00 0.35 N ATOM 630 CA PHE A 41 -5.585 -8.742 9.281 1.00 41.00 C ATOM 631 C PHE A 41 -4.223 -9.018 9.922 1.00 61.31 C ATOM 632 O PHE A 41 -3.349 -9.594 9.293 1.00 55.42 O ATOM 633 CB PHE A 41 -5.846 -7.234 9.203 1.00 41.53 C ATOM 634 CG PHE A 41 -4.876 -6.493 8.321 1.00 53.20 C ATOM 635 CD1 PHE A 41 -5.020 -6.514 6.943 1.00 32.02 C ATOM 636 CD2 PHE A 41 -3.827 -5.776 8.869 1.00 40.03 C ATOM 637 CE1 PHE A 41 -4.134 -5.835 6.129 1.00 75.42 C ATOM 638 CE2 PHE A 41 -2.936 -5.094 8.061 1.00 14.44 C ATOM 639 CZ PHE A 41 -3.090 -5.124 6.689 1.00 52.21 C ATOM 0 H PHE A 41 -7.325 -8.781 10.440 1.00 0.35 H new ATOM 0 HA PHE A 41 -5.553 -9.150 8.271 1.00 41.00 H new ATOM 0 HB2 PHE A 41 -6.858 -7.069 8.833 1.00 41.53 H new ATOM 0 HB3 PHE A 41 -5.802 -6.815 10.208 1.00 41.53 H new ATOM 0 HD1 PHE A 41 -5.835 -7.068 6.500 1.00 32.02 H new ATOM 0 HD2 PHE A 41 -3.703 -5.749 9.941 1.00 40.03 H new ATOM 0 HE1 PHE A 41 -4.257 -5.860 5.056 1.00 75.42 H new ATOM 0 HE2 PHE A 41 -2.121 -4.539 8.502 1.00 14.44 H new ATOM 0 HZ PHE A 41 -2.396 -4.593 6.055 1.00 52.21 H new ATOM 649 N SER A 42 -4.061 -8.627 11.171 1.00 22.13 N ATOM 650 CA SER A 42 -2.774 -8.776 11.845 1.00 71.11 C ATOM 651 C SER A 42 -2.267 -10.229 11.834 1.00 42.43 C ATOM 652 O SER A 42 -1.138 -10.497 11.410 1.00 35.30 O ATOM 653 CB SER A 42 -2.866 -8.256 13.275 1.00 30.00 C ATOM 654 OG SER A 42 -3.383 -6.931 13.304 1.00 54.54 O ATOM 0 H SER A 42 -4.795 -8.206 11.741 1.00 22.13 H new ATOM 0 HA SER A 42 -2.049 -8.182 11.289 1.00 71.11 H new ATOM 0 HB2 SER A 42 -3.506 -8.913 13.864 1.00 30.00 H new ATOM 0 HB3 SER A 42 -1.879 -8.275 13.737 1.00 30.00 H new ATOM 0 HG SER A 42 -3.434 -6.620 14.232 1.00 54.54 H new ATOM 660 N GLU A 43 -3.111 -11.154 12.275 1.00 43.11 N ATOM 661 CA GLU A 43 -2.725 -12.559 12.372 1.00 40.25 C ATOM 662 C GLU A 43 -2.324 -13.176 11.022 1.00 33.14 C ATOM 663 O GLU A 43 -1.398 -13.990 10.965 1.00 34.55 O ATOM 664 CB GLU A 43 -3.818 -13.387 13.055 1.00 1.14 C ATOM 665 CG GLU A 43 -5.143 -13.430 12.323 1.00 13.40 C ATOM 666 CD GLU A 43 -6.206 -14.152 13.120 1.00 72.42 C ATOM 667 OE1 GLU A 43 -6.051 -15.367 13.363 1.00 3.12 O ATOM 668 OE2 GLU A 43 -7.192 -13.506 13.525 1.00 4.42 O ATOM 0 H GLU A 43 -4.067 -10.958 12.571 1.00 43.11 H new ATOM 0 HA GLU A 43 -1.830 -12.584 12.994 1.00 40.25 H new ATOM 0 HB2 GLU A 43 -3.455 -14.408 13.178 1.00 1.14 H new ATOM 0 HB3 GLU A 43 -3.985 -12.985 14.054 1.00 1.14 H new ATOM 0 HG2 GLU A 43 -5.475 -12.413 12.113 1.00 13.40 H new ATOM 0 HG3 GLU A 43 -5.010 -13.927 11.362 1.00 13.40 H new ATOM 675 N PHE A 44 -2.991 -12.785 9.948 1.00 11.24 N ATOM 676 CA PHE A 44 -2.676 -13.355 8.641 1.00 72.42 C ATOM 677 C PHE A 44 -1.584 -12.568 7.901 1.00 54.55 C ATOM 678 O PHE A 44 -0.947 -13.091 6.990 1.00 73.42 O ATOM 679 CB PHE A 44 -3.933 -13.488 7.781 1.00 45.12 C ATOM 680 CG PHE A 44 -3.727 -14.322 6.548 1.00 64.42 C ATOM 681 CD1 PHE A 44 -3.268 -15.626 6.649 1.00 33.50 C ATOM 682 CD2 PHE A 44 -3.988 -13.807 5.295 1.00 54.33 C ATOM 683 CE1 PHE A 44 -3.073 -16.393 5.522 1.00 21.52 C ATOM 684 CE2 PHE A 44 -3.795 -14.569 4.163 1.00 64.43 C ATOM 685 CZ PHE A 44 -3.336 -15.864 4.277 1.00 72.24 C ATOM 0 H PHE A 44 -3.738 -12.091 9.949 1.00 11.24 H new ATOM 0 HA PHE A 44 -2.276 -14.352 8.823 1.00 72.42 H new ATOM 0 HB2 PHE A 44 -4.729 -13.929 8.380 1.00 45.12 H new ATOM 0 HB3 PHE A 44 -4.269 -12.494 7.486 1.00 45.12 H new ATOM 0 HD1 PHE A 44 -3.061 -16.045 7.623 1.00 33.50 H new ATOM 0 HD2 PHE A 44 -4.348 -12.793 5.200 1.00 54.33 H new ATOM 0 HE1 PHE A 44 -2.714 -17.408 5.614 1.00 21.52 H new ATOM 0 HE2 PHE A 44 -4.003 -14.152 3.188 1.00 64.43 H new ATOM 0 HZ PHE A 44 -3.183 -16.463 3.392 1.00 72.24 H new ATOM 695 N SER A 45 -1.330 -11.343 8.320 1.00 72.31 N ATOM 696 CA SER A 45 -0.309 -10.539 7.659 1.00 72.04 C ATOM 697 C SER A 45 1.076 -11.014 8.054 1.00 63.30 C ATOM 698 O SER A 45 1.980 -11.109 7.216 1.00 51.44 O ATOM 699 CB SER A 45 -0.492 -9.052 7.960 1.00 72.33 C ATOM 700 OG SER A 45 -1.704 -8.568 7.390 1.00 61.32 O ATOM 0 H SER A 45 -1.804 -10.886 9.099 1.00 72.31 H new ATOM 0 HA SER A 45 -0.419 -10.667 6.582 1.00 72.04 H new ATOM 0 HB2 SER A 45 -0.503 -8.893 9.038 1.00 72.33 H new ATOM 0 HB3 SER A 45 0.353 -8.489 7.563 1.00 72.33 H new ATOM 0 HG SER A 45 -1.857 -7.645 7.682 1.00 61.32 H new ATOM 706 N LYS A 46 1.241 -11.345 9.325 1.00 64.15 N ATOM 707 CA LYS A 46 2.504 -11.867 9.793 1.00 22.42 C ATOM 708 C LYS A 46 2.699 -13.302 9.307 1.00 23.34 C ATOM 709 O LYS A 46 3.818 -13.788 9.226 1.00 74.32 O ATOM 710 CB LYS A 46 2.624 -11.772 11.322 1.00 5.52 C ATOM 711 CG LYS A 46 1.487 -12.411 12.098 1.00 10.31 C ATOM 712 CD LYS A 46 1.720 -12.289 13.596 1.00 5.44 C ATOM 713 CE LYS A 46 0.573 -12.882 14.398 1.00 53.44 C ATOM 714 NZ LYS A 46 0.419 -14.341 14.166 1.00 61.53 N ATOM 0 H LYS A 46 0.520 -11.261 10.041 1.00 64.15 H new ATOM 0 HA LYS A 46 3.300 -11.252 9.373 1.00 22.42 H new ATOM 0 HB2 LYS A 46 3.560 -12.240 11.627 1.00 5.52 H new ATOM 0 HB3 LYS A 46 2.688 -10.720 11.601 1.00 5.52 H new ATOM 0 HG2 LYS A 46 0.545 -11.932 11.832 1.00 10.31 H new ATOM 0 HG3 LYS A 46 1.399 -13.462 11.823 1.00 10.31 H new ATOM 0 HD2 LYS A 46 2.648 -12.795 13.861 1.00 5.44 H new ATOM 0 HD3 LYS A 46 1.843 -11.239 13.860 1.00 5.44 H new ATOM 0 HE2 LYS A 46 0.743 -12.701 15.459 1.00 53.44 H new ATOM 0 HE3 LYS A 46 -0.354 -12.374 14.132 1.00 53.44 H new ATOM 0 HZ1 LYS A 46 -0.269 -14.729 14.842 1.00 61.53 H new ATOM 0 HZ2 LYS A 46 0.082 -14.505 13.196 1.00 61.53 H new ATOM 0 HZ3 LYS A 46 1.337 -14.812 14.298 1.00 61.53 H new ATOM 728 N LYS A 47 1.597 -13.963 8.962 1.00 42.13 N ATOM 729 CA LYS A 47 1.645 -15.321 8.432 1.00 41.31 C ATOM 730 C LYS A 47 2.210 -15.305 7.007 1.00 70.34 C ATOM 731 O LYS A 47 3.041 -16.133 6.644 1.00 45.42 O ATOM 732 CB LYS A 47 0.236 -15.933 8.442 1.00 13.15 C ATOM 733 CG LYS A 47 0.139 -17.378 7.943 1.00 42.23 C ATOM 734 CD LYS A 47 0.571 -18.401 9.001 1.00 43.13 C ATOM 735 CE LYS A 47 2.084 -18.564 9.082 1.00 34.22 C ATOM 736 NZ LYS A 47 2.678 -18.918 7.770 1.00 23.43 N ATOM 0 H LYS A 47 0.656 -13.577 9.041 1.00 42.13 H new ATOM 0 HA LYS A 47 2.297 -15.930 9.059 1.00 41.31 H new ATOM 0 HB2 LYS A 47 -0.151 -15.892 9.460 1.00 13.15 H new ATOM 0 HB3 LYS A 47 -0.415 -15.311 7.828 1.00 13.15 H new ATOM 0 HG2 LYS A 47 -0.888 -17.585 7.641 1.00 42.23 H new ATOM 0 HG3 LYS A 47 0.762 -17.494 7.056 1.00 42.23 H new ATOM 0 HD2 LYS A 47 0.191 -18.092 9.975 1.00 43.13 H new ATOM 0 HD3 LYS A 47 0.118 -19.366 8.773 1.00 43.13 H new ATOM 0 HE2 LYS A 47 2.529 -17.637 9.443 1.00 34.22 H new ATOM 0 HE3 LYS A 47 2.326 -19.338 9.810 1.00 34.22 H new ATOM 0 HZ1 LYS A 47 3.629 -19.312 7.915 1.00 23.43 H new ATOM 0 HZ2 LYS A 47 2.079 -19.624 7.297 1.00 23.43 H new ATOM 0 HZ3 LYS A 47 2.743 -18.066 7.177 1.00 23.43 H new ATOM 750 N CYS A 48 1.761 -14.337 6.232 1.00 64.42 N ATOM 751 CA CYS A 48 2.242 -14.182 4.854 1.00 1.22 C ATOM 752 C CYS A 48 3.683 -13.671 4.793 1.00 32.54 C ATOM 753 O CYS A 48 4.378 -13.878 3.801 1.00 64.10 O ATOM 754 CB CYS A 48 1.307 -13.262 4.054 1.00 64.21 C ATOM 755 SG CYS A 48 -0.429 -13.836 3.989 1.00 60.04 S ATOM 0 H CYS A 48 1.069 -13.646 6.521 1.00 64.42 H new ATOM 0 HA CYS A 48 2.235 -15.173 4.401 1.00 1.22 H new ATOM 0 HB2 CYS A 48 1.333 -12.265 4.493 1.00 64.21 H new ATOM 0 HB3 CYS A 48 1.687 -13.172 3.036 1.00 64.21 H new ATOM 760 N SER A 49 4.121 -13.017 5.856 1.00 54.25 N ATOM 761 CA SER A 49 5.470 -12.448 5.918 1.00 62.33 C ATOM 762 C SER A 49 6.580 -13.479 5.582 1.00 62.03 C ATOM 763 O SER A 49 7.540 -13.152 4.883 1.00 45.04 O ATOM 764 CB SER A 49 5.716 -11.825 7.290 1.00 64.31 C ATOM 765 OG SER A 49 4.802 -10.763 7.537 1.00 62.03 O ATOM 0 H SER A 49 3.563 -12.863 6.696 1.00 54.25 H new ATOM 0 HA SER A 49 5.523 -11.675 5.151 1.00 62.33 H new ATOM 0 HB2 SER A 49 5.613 -12.586 8.063 1.00 64.31 H new ATOM 0 HB3 SER A 49 6.738 -11.451 7.346 1.00 64.31 H new ATOM 0 HG SER A 49 3.890 -11.064 7.341 1.00 62.03 H new ATOM 771 N GLU A 50 6.437 -14.720 6.060 1.00 33.24 N ATOM 772 CA GLU A 50 7.455 -15.754 5.803 1.00 14.24 C ATOM 773 C GLU A 50 7.448 -16.193 4.340 1.00 34.23 C ATOM 774 O GLU A 50 8.454 -16.689 3.819 1.00 62.22 O ATOM 775 CB GLU A 50 7.246 -16.979 6.701 1.00 34.40 C ATOM 776 CG GLU A 50 5.960 -17.740 6.423 1.00 2.31 C ATOM 777 CD GLU A 50 5.923 -19.085 7.109 1.00 54.20 C ATOM 778 OE1 GLU A 50 6.532 -20.037 6.585 1.00 53.14 O ATOM 779 OE2 GLU A 50 5.279 -19.199 8.167 1.00 21.13 O ATOM 0 H GLU A 50 5.642 -15.033 6.618 1.00 33.24 H new ATOM 0 HA GLU A 50 8.422 -15.307 6.033 1.00 14.24 H new ATOM 0 HB2 GLU A 50 8.091 -17.656 6.576 1.00 34.40 H new ATOM 0 HB3 GLU A 50 7.247 -16.657 7.742 1.00 34.40 H new ATOM 0 HG2 GLU A 50 5.110 -17.143 6.754 1.00 2.31 H new ATOM 0 HG3 GLU A 50 5.851 -17.881 5.348 1.00 2.31 H new ATOM 786 N ARG A 51 6.321 -15.994 3.679 1.00 41.53 N ATOM 787 CA ARG A 51 6.170 -16.393 2.296 1.00 2.14 C ATOM 788 C ARG A 51 6.816 -15.364 1.380 1.00 61.53 C ATOM 789 O ARG A 51 7.439 -15.712 0.381 1.00 24.21 O ATOM 790 CB ARG A 51 4.688 -16.572 1.953 1.00 2.10 C ATOM 791 CG ARG A 51 4.434 -17.028 0.526 1.00 55.45 C ATOM 792 CD ARG A 51 2.951 -17.193 0.247 1.00 23.45 C ATOM 793 NE ARG A 51 2.707 -17.619 -1.127 1.00 3.43 N ATOM 794 CZ ARG A 51 1.595 -17.364 -1.815 1.00 3.33 C ATOM 795 NH1 ARG A 51 0.593 -16.694 -1.252 1.00 25.14 N ATOM 796 NH2 ARG A 51 1.484 -17.787 -3.068 1.00 65.22 N ATOM 0 H ARG A 51 5.494 -15.555 4.083 1.00 41.53 H new ATOM 0 HA ARG A 51 6.672 -17.349 2.148 1.00 2.14 H new ATOM 0 HB2 ARG A 51 4.252 -17.299 2.639 1.00 2.10 H new ATOM 0 HB3 ARG A 51 4.171 -15.627 2.119 1.00 2.10 H new ATOM 0 HG2 ARG A 51 4.857 -16.303 -0.169 1.00 55.45 H new ATOM 0 HG3 ARG A 51 4.945 -17.974 0.349 1.00 55.45 H new ATOM 0 HD2 ARG A 51 2.530 -17.925 0.936 1.00 23.45 H new ATOM 0 HD3 ARG A 51 2.438 -16.249 0.432 1.00 23.45 H new ATOM 0 HE ARG A 51 3.441 -18.151 -1.595 1.00 3.43 H new ATOM 0 HH11 ARG A 51 0.673 -16.372 -0.288 1.00 25.14 H new ATOM 0 HH12 ARG A 51 -0.255 -16.502 -1.785 1.00 25.14 H new ATOM 0 HH21 ARG A 51 2.248 -18.305 -3.501 1.00 65.22 H new ATOM 0 HH22 ARG A 51 0.634 -17.594 -3.598 1.00 65.22 H new ATOM 810 N TRP A 52 6.665 -14.111 1.729 1.00 50.52 N ATOM 811 CA TRP A 52 7.248 -13.002 0.971 1.00 32.14 C ATOM 812 C TRP A 52 8.764 -13.196 0.831 1.00 22.22 C ATOM 813 O TRP A 52 9.361 -12.865 -0.198 1.00 61.14 O ATOM 814 CB TRP A 52 6.945 -11.667 1.678 1.00 30.03 C ATOM 815 CG TRP A 52 7.632 -10.479 1.065 1.00 62.53 C ATOM 816 CD1 TRP A 52 8.615 -9.718 1.631 1.00 11.43 C ATOM 817 CD2 TRP A 52 7.394 -9.924 -0.232 1.00 53.33 C ATOM 818 NE1 TRP A 52 8.996 -8.723 0.765 1.00 31.21 N ATOM 819 CE2 TRP A 52 8.263 -8.829 -0.384 1.00 23.14 C ATOM 820 CE3 TRP A 52 6.529 -10.246 -1.278 1.00 52.14 C ATOM 821 CZ2 TRP A 52 8.292 -8.058 -1.540 1.00 15.15 C ATOM 822 CZ3 TRP A 52 6.561 -9.481 -2.424 1.00 52.32 C ATOM 823 CH2 TRP A 52 7.437 -8.399 -2.546 1.00 1.30 C ATOM 0 H TRP A 52 6.134 -13.817 2.549 1.00 50.52 H new ATOM 0 HA TRP A 52 6.806 -12.983 -0.025 1.00 32.14 H new ATOM 0 HB2 TRP A 52 5.868 -11.497 1.665 1.00 30.03 H new ATOM 0 HB3 TRP A 52 7.243 -11.746 2.724 1.00 30.03 H new ATOM 0 HD1 TRP A 52 9.031 -9.876 2.615 1.00 11.43 H new ATOM 0 HE1 TRP A 52 9.710 -8.019 0.949 1.00 31.21 H new ATOM 0 HE3 TRP A 52 5.847 -11.079 -1.191 1.00 52.14 H new ATOM 0 HZ2 TRP A 52 8.966 -7.220 -1.638 1.00 15.15 H new ATOM 0 HZ3 TRP A 52 5.898 -9.722 -3.242 1.00 52.32 H new ATOM 0 HH2 TRP A 52 7.437 -7.820 -3.458 1.00 1.30 H new ATOM 834 N LYS A 53 9.366 -13.762 1.864 1.00 22.30 N ATOM 835 CA LYS A 53 10.797 -14.004 1.890 1.00 62.43 C ATOM 836 C LYS A 53 11.188 -15.201 1.022 1.00 71.34 C ATOM 837 O LYS A 53 12.278 -15.232 0.451 1.00 10.33 O ATOM 838 CB LYS A 53 11.262 -14.241 3.326 1.00 34.41 C ATOM 839 CG LYS A 53 11.096 -13.038 4.235 1.00 41.12 C ATOM 840 CD LYS A 53 11.439 -13.384 5.675 1.00 33.52 C ATOM 841 CE LYS A 53 11.361 -12.161 6.573 1.00 44.02 C ATOM 842 NZ LYS A 53 12.414 -11.168 6.248 1.00 35.42 N ATOM 0 H LYS A 53 8.877 -14.066 2.706 1.00 22.30 H new ATOM 0 HA LYS A 53 11.286 -13.119 1.483 1.00 62.43 H new ATOM 0 HB2 LYS A 53 10.704 -15.079 3.744 1.00 34.41 H new ATOM 0 HB3 LYS A 53 12.312 -14.532 3.314 1.00 34.41 H new ATOM 0 HG2 LYS A 53 11.738 -12.227 3.890 1.00 41.12 H new ATOM 0 HG3 LYS A 53 10.069 -12.677 4.180 1.00 41.12 H new ATOM 0 HD2 LYS A 53 10.754 -14.149 6.040 1.00 33.52 H new ATOM 0 HD3 LYS A 53 12.443 -13.807 5.720 1.00 33.52 H new ATOM 0 HE2 LYS A 53 10.380 -11.697 6.470 1.00 44.02 H new ATOM 0 HE3 LYS A 53 11.461 -12.468 7.614 1.00 44.02 H new ATOM 0 HZ1 LYS A 53 12.471 -10.461 7.009 1.00 35.42 H new ATOM 0 HZ2 LYS A 53 13.330 -11.651 6.155 1.00 35.42 H new ATOM 0 HZ3 LYS A 53 12.180 -10.695 5.352 1.00 35.42 H new ATOM 856 N THR A 54 10.296 -16.171 0.904 1.00 74.11 N ATOM 857 CA THR A 54 10.597 -17.387 0.168 1.00 64.22 C ATOM 858 C THR A 54 10.196 -17.310 -1.305 1.00 45.30 C ATOM 859 O THR A 54 10.438 -18.244 -2.062 1.00 2.32 O ATOM 860 CB THR A 54 9.943 -18.619 0.822 1.00 60.14 C ATOM 861 OG1 THR A 54 8.589 -18.320 1.186 1.00 74.13 O ATOM 862 CG2 THR A 54 10.720 -19.049 2.056 1.00 14.25 C ATOM 0 H THR A 54 9.360 -16.140 1.308 1.00 74.11 H new ATOM 0 HA THR A 54 11.681 -17.493 0.207 1.00 64.22 H new ATOM 0 HB THR A 54 9.953 -19.436 0.100 1.00 60.14 H new ATOM 0 HG1 THR A 54 8.581 -17.793 2.012 1.00 74.13 H new ATOM 0 HG21 THR A 54 10.241 -19.920 2.502 1.00 14.25 H new ATOM 0 HG22 THR A 54 11.742 -19.302 1.773 1.00 14.25 H new ATOM 0 HG23 THR A 54 10.735 -18.233 2.779 1.00 14.25 H new ATOM 870 N MET A 55 9.593 -16.206 -1.715 1.00 41.12 N ATOM 871 CA MET A 55 9.188 -16.058 -3.108 1.00 32.23 C ATOM 872 C MET A 55 10.320 -15.501 -3.960 1.00 31.13 C ATOM 873 O MET A 55 11.098 -14.654 -3.507 1.00 74.11 O ATOM 874 CB MET A 55 7.949 -15.176 -3.246 1.00 53.13 C ATOM 875 CG MET A 55 6.682 -15.788 -2.673 1.00 43.40 C ATOM 876 SD MET A 55 5.188 -14.950 -3.243 1.00 42.52 S ATOM 877 CE MET A 55 5.571 -13.254 -2.820 1.00 12.55 C ATOM 0 H MET A 55 9.375 -15.410 -1.116 1.00 41.12 H new ATOM 0 HA MET A 55 8.939 -17.056 -3.470 1.00 32.23 H new ATOM 0 HB2 MET A 55 8.137 -14.225 -2.748 1.00 53.13 H new ATOM 0 HB3 MET A 55 7.788 -14.957 -4.302 1.00 53.13 H new ATOM 0 HG2 MET A 55 6.633 -16.841 -2.952 1.00 43.40 H new ATOM 0 HG3 MET A 55 6.724 -15.748 -1.585 1.00 43.40 H new ATOM 0 HE1 MET A 55 4.701 -12.626 -3.012 1.00 12.55 H new ATOM 0 HE2 MET A 55 5.837 -13.193 -1.765 1.00 12.55 H new ATOM 0 HE3 MET A 55 6.409 -12.908 -3.425 1.00 12.55 H new ATOM 887 N SER A 56 10.405 -15.983 -5.190 1.00 53.12 N ATOM 888 CA SER A 56 11.428 -15.544 -6.126 1.00 31.45 C ATOM 889 C SER A 56 11.079 -14.180 -6.737 1.00 21.40 C ATOM 890 O SER A 56 9.991 -13.641 -6.504 1.00 11.41 O ATOM 891 CB SER A 56 11.601 -16.590 -7.226 1.00 2.02 C ATOM 892 OG SER A 56 11.895 -17.865 -6.670 1.00 34.02 O ATOM 0 H SER A 56 9.770 -16.687 -5.566 1.00 53.12 H new ATOM 0 HA SER A 56 12.366 -15.432 -5.582 1.00 31.45 H new ATOM 0 HB2 SER A 56 10.691 -16.650 -7.823 1.00 2.02 H new ATOM 0 HB3 SER A 56 12.404 -16.288 -7.898 1.00 2.02 H new ATOM 0 HG SER A 56 12.000 -18.520 -7.391 1.00 34.02 H new ATOM 898 N ALA A 57 12.002 -13.641 -7.537 1.00 54.05 N ATOM 899 CA ALA A 57 11.805 -12.328 -8.152 1.00 73.44 C ATOM 900 C ALA A 57 10.638 -12.335 -9.137 1.00 52.13 C ATOM 901 O ALA A 57 10.008 -11.306 -9.366 1.00 61.51 O ATOM 902 CB ALA A 57 13.082 -11.848 -8.827 1.00 60.12 C ATOM 0 H ALA A 57 12.887 -14.090 -7.772 1.00 54.05 H new ATOM 0 HA ALA A 57 11.555 -11.628 -7.355 1.00 73.44 H new ATOM 0 HB1 ALA A 57 12.910 -10.870 -9.277 1.00 60.12 H new ATOM 0 HB2 ALA A 57 13.878 -11.772 -8.087 1.00 60.12 H new ATOM 0 HB3 ALA A 57 13.373 -12.558 -9.602 1.00 60.12 H new ATOM 908 N LYS A 58 10.354 -13.496 -9.722 1.00 60.10 N ATOM 909 CA LYS A 58 9.221 -13.629 -10.639 1.00 54.23 C ATOM 910 C LYS A 58 7.905 -13.408 -9.901 1.00 65.15 C ATOM 911 O LYS A 58 7.019 -12.713 -10.390 1.00 44.54 O ATOM 912 CB LYS A 58 9.215 -15.007 -11.316 1.00 54.25 C ATOM 913 CG LYS A 58 10.317 -15.206 -12.350 1.00 32.53 C ATOM 914 CD LYS A 58 10.114 -14.334 -13.596 1.00 65.33 C ATOM 915 CE LYS A 58 9.122 -14.947 -14.596 1.00 71.32 C ATOM 916 NZ LYS A 58 7.712 -14.942 -14.111 1.00 5.42 N ATOM 0 H LYS A 58 10.888 -14.354 -9.580 1.00 60.10 H new ATOM 0 HA LYS A 58 9.328 -12.866 -11.411 1.00 54.23 H new ATOM 0 HB2 LYS A 58 9.310 -15.775 -10.549 1.00 54.25 H new ATOM 0 HB3 LYS A 58 8.249 -15.157 -11.799 1.00 54.25 H new ATOM 0 HG2 LYS A 58 11.281 -14.972 -11.899 1.00 32.53 H new ATOM 0 HG3 LYS A 58 10.350 -16.255 -12.645 1.00 32.53 H new ATOM 0 HD2 LYS A 58 9.755 -13.351 -13.291 1.00 65.33 H new ATOM 0 HD3 LYS A 58 11.074 -14.184 -14.089 1.00 65.33 H new ATOM 0 HE2 LYS A 58 9.177 -14.396 -15.535 1.00 71.32 H new ATOM 0 HE3 LYS A 58 9.421 -15.973 -14.810 1.00 71.32 H new ATOM 0 HZ1 LYS A 58 7.065 -14.887 -14.924 1.00 5.42 H new ATOM 0 HZ2 LYS A 58 7.525 -15.815 -13.578 1.00 5.42 H new ATOM 0 HZ3 LYS A 58 7.561 -14.120 -13.492 1.00 5.42 H new ATOM 930 N GLU A 59 7.803 -13.975 -8.708 1.00 12.33 N ATOM 931 CA GLU A 59 6.593 -13.856 -7.901 1.00 42.14 C ATOM 932 C GLU A 59 6.445 -12.447 -7.340 1.00 1.11 C ATOM 933 O GLU A 59 5.372 -12.048 -6.906 1.00 72.03 O ATOM 934 CB GLU A 59 6.612 -14.877 -6.768 1.00 52.10 C ATOM 935 CG GLU A 59 6.656 -16.319 -7.244 1.00 35.10 C ATOM 936 CD GLU A 59 5.479 -16.674 -8.126 1.00 52.02 C ATOM 937 OE1 GLU A 59 4.442 -17.118 -7.592 1.00 33.11 O ATOM 938 OE2 GLU A 59 5.585 -16.513 -9.359 1.00 32.33 O ATOM 0 H GLU A 59 8.545 -14.524 -8.274 1.00 12.33 H new ATOM 0 HA GLU A 59 5.736 -14.056 -8.544 1.00 42.14 H new ATOM 0 HB2 GLU A 59 7.478 -14.687 -6.134 1.00 52.10 H new ATOM 0 HB3 GLU A 59 5.726 -14.735 -6.149 1.00 52.10 H new ATOM 0 HG2 GLU A 59 7.582 -16.489 -7.793 1.00 35.10 H new ATOM 0 HG3 GLU A 59 6.672 -16.983 -6.380 1.00 35.10 H new ATOM 945 N LYS A 60 7.530 -11.697 -7.369 1.00 15.13 N ATOM 946 CA LYS A 60 7.536 -10.332 -6.884 1.00 21.34 C ATOM 947 C LYS A 60 7.361 -9.350 -8.024 1.00 12.34 C ATOM 948 O LYS A 60 6.901 -8.227 -7.823 1.00 53.21 O ATOM 949 CB LYS A 60 8.817 -10.040 -6.107 1.00 4.14 C ATOM 950 CG LYS A 60 8.958 -10.879 -4.851 1.00 53.42 C ATOM 951 CD LYS A 60 10.188 -10.497 -4.053 1.00 64.24 C ATOM 952 CE LYS A 60 10.250 -11.274 -2.753 1.00 72.41 C ATOM 953 NZ LYS A 60 11.400 -10.869 -1.917 1.00 43.43 N ATOM 0 H LYS A 60 8.429 -12.017 -7.729 1.00 15.13 H new ATOM 0 HA LYS A 60 6.692 -10.211 -6.205 1.00 21.34 H new ATOM 0 HB2 LYS A 60 9.676 -10.219 -6.754 1.00 4.14 H new ATOM 0 HB3 LYS A 60 8.837 -8.985 -5.835 1.00 4.14 H new ATOM 0 HG2 LYS A 60 8.070 -10.757 -4.231 1.00 53.42 H new ATOM 0 HG3 LYS A 60 9.014 -11.933 -5.123 1.00 53.42 H new ATOM 0 HD2 LYS A 60 11.084 -10.693 -4.642 1.00 64.24 H new ATOM 0 HD3 LYS A 60 10.172 -9.428 -3.842 1.00 64.24 H new ATOM 0 HE2 LYS A 60 9.326 -11.121 -2.196 1.00 72.41 H new ATOM 0 HE3 LYS A 60 10.319 -12.340 -2.971 1.00 72.41 H new ATOM 0 HZ1 LYS A 60 11.404 -11.425 -1.038 1.00 43.43 H new ATOM 0 HZ2 LYS A 60 12.284 -11.038 -2.438 1.00 43.43 H new ATOM 0 HZ3 LYS A 60 11.322 -9.858 -1.686 1.00 43.43 H new ATOM 967 N GLY A 61 7.710 -9.794 -9.229 1.00 41.52 N ATOM 968 CA GLY A 61 7.612 -8.956 -10.410 1.00 41.32 C ATOM 969 C GLY A 61 6.209 -8.452 -10.652 1.00 5.24 C ATOM 970 O GLY A 61 6.021 -7.390 -11.233 1.00 74.52 O ATOM 0 H GLY A 61 8.064 -10.734 -9.408 1.00 41.52 H new ATOM 0 HA2 GLY A 61 8.286 -8.106 -10.304 1.00 41.32 H new ATOM 0 HA3 GLY A 61 7.946 -9.521 -11.280 1.00 41.32 H new ATOM 974 N LYS A 62 5.228 -9.221 -10.206 1.00 51.22 N ATOM 975 CA LYS A 62 3.834 -8.836 -10.332 1.00 13.35 C ATOM 976 C LYS A 62 3.559 -7.584 -9.500 1.00 44.31 C ATOM 977 O LYS A 62 3.030 -6.589 -9.997 1.00 74.33 O ATOM 978 CB LYS A 62 2.934 -9.982 -9.857 1.00 41.11 C ATOM 979 CG LYS A 62 1.449 -9.698 -9.984 1.00 75.33 C ATOM 980 CD LYS A 62 0.620 -10.820 -9.383 1.00 13.10 C ATOM 981 CE LYS A 62 -0.867 -10.593 -9.600 1.00 34.43 C ATOM 982 NZ LYS A 62 -1.217 -10.556 -11.043 1.00 3.51 N ATOM 0 H LYS A 62 5.375 -10.122 -9.750 1.00 51.22 H new ATOM 0 HA LYS A 62 3.619 -8.621 -11.379 1.00 13.35 H new ATOM 0 HB2 LYS A 62 3.172 -10.878 -10.431 1.00 41.11 H new ATOM 0 HB3 LYS A 62 3.163 -10.201 -8.814 1.00 41.11 H new ATOM 0 HG2 LYS A 62 1.212 -8.759 -9.483 1.00 75.33 H new ATOM 0 HG3 LYS A 62 1.189 -9.573 -11.035 1.00 75.33 H new ATOM 0 HD2 LYS A 62 0.913 -11.770 -9.830 1.00 13.10 H new ATOM 0 HD3 LYS A 62 0.826 -10.894 -8.315 1.00 13.10 H new ATOM 0 HE2 LYS A 62 -1.431 -11.387 -9.110 1.00 34.43 H new ATOM 0 HE3 LYS A 62 -1.163 -9.655 -9.130 1.00 34.43 H new ATOM 0 HZ1 LYS A 62 -2.242 -10.689 -11.155 1.00 3.51 H new ATOM 0 HZ2 LYS A 62 -0.941 -9.637 -11.444 1.00 3.51 H new ATOM 0 HZ3 LYS A 62 -0.713 -11.316 -11.542 1.00 3.51 H new ATOM 996 N PHE A 63 3.952 -7.637 -8.238 1.00 3.31 N ATOM 997 CA PHE A 63 3.734 -6.534 -7.315 1.00 25.23 C ATOM 998 C PHE A 63 4.635 -5.361 -7.670 1.00 34.13 C ATOM 999 O PHE A 63 4.224 -4.201 -7.604 1.00 22.22 O ATOM 1000 CB PHE A 63 4.003 -6.988 -5.882 1.00 43.02 C ATOM 1001 CG PHE A 63 3.324 -8.277 -5.519 1.00 41.14 C ATOM 1002 CD1 PHE A 63 1.944 -8.375 -5.519 1.00 10.03 C ATOM 1003 CD2 PHE A 63 4.069 -9.394 -5.185 1.00 72.44 C ATOM 1004 CE1 PHE A 63 1.322 -9.560 -5.192 1.00 15.14 C ATOM 1005 CE2 PHE A 63 3.451 -10.583 -4.856 1.00 53.32 C ATOM 1006 CZ PHE A 63 2.075 -10.667 -4.859 1.00 0.40 C ATOM 0 H PHE A 63 4.428 -8.440 -7.826 1.00 3.31 H new ATOM 0 HA PHE A 63 2.696 -6.212 -7.395 1.00 25.23 H new ATOM 0 HB2 PHE A 63 5.078 -7.102 -5.742 1.00 43.02 H new ATOM 0 HB3 PHE A 63 3.673 -6.208 -5.195 1.00 43.02 H new ATOM 0 HD1 PHE A 63 1.348 -7.513 -5.778 1.00 10.03 H new ATOM 0 HD2 PHE A 63 5.147 -9.335 -5.182 1.00 72.44 H new ATOM 0 HE1 PHE A 63 0.244 -9.622 -5.196 1.00 15.14 H new ATOM 0 HE2 PHE A 63 4.045 -11.447 -4.596 1.00 53.32 H new ATOM 0 HZ PHE A 63 1.588 -11.596 -4.602 1.00 0.40 H new ATOM 1016 N GLU A 64 5.857 -5.680 -8.072 1.00 43.04 N ATOM 1017 CA GLU A 64 6.841 -4.679 -8.460 1.00 64.45 C ATOM 1018 C GLU A 64 6.461 -3.982 -9.759 1.00 34.45 C ATOM 1019 O GLU A 64 7.037 -2.951 -10.105 1.00 55.45 O ATOM 1020 CB GLU A 64 8.224 -5.309 -8.600 1.00 20.22 C ATOM 1021 CG GLU A 64 8.930 -5.573 -7.284 1.00 52.52 C ATOM 1022 CD GLU A 64 9.307 -4.295 -6.560 1.00 73.40 C ATOM 1023 OE1 GLU A 64 9.913 -3.404 -7.191 1.00 2.13 O ATOM 1024 OE2 GLU A 64 9.007 -4.174 -5.360 1.00 71.21 O ATOM 0 H GLU A 64 6.195 -6.640 -8.138 1.00 43.04 H new ATOM 0 HA GLU A 64 6.863 -3.930 -7.669 1.00 64.45 H new ATOM 0 HB2 GLU A 64 8.128 -6.250 -9.141 1.00 20.22 H new ATOM 0 HB3 GLU A 64 8.848 -4.654 -9.208 1.00 20.22 H new ATOM 0 HG2 GLU A 64 8.284 -6.173 -6.643 1.00 52.52 H new ATOM 0 HG3 GLU A 64 9.829 -6.160 -7.469 1.00 52.52 H new ATOM 1031 N ASP A 65 5.483 -4.521 -10.474 1.00 33.42 N ATOM 1032 CA ASP A 65 5.085 -3.935 -11.738 1.00 41.21 C ATOM 1033 C ASP A 65 3.873 -3.049 -11.528 1.00 22.14 C ATOM 1034 O ASP A 65 3.744 -1.990 -12.140 1.00 3.23 O ATOM 1035 CB ASP A 65 4.774 -5.018 -12.777 1.00 65.44 C ATOM 1036 CG ASP A 65 4.276 -4.445 -14.097 1.00 14.34 C ATOM 1037 OD1 ASP A 65 5.106 -3.957 -14.894 1.00 71.21 O ATOM 1038 OD2 ASP A 65 3.051 -4.487 -14.342 1.00 22.32 O ATOM 0 H ASP A 65 4.959 -5.353 -10.202 1.00 33.42 H new ATOM 0 HA ASP A 65 5.913 -3.336 -12.117 1.00 41.21 H new ATOM 0 HB2 ASP A 65 5.672 -5.609 -12.959 1.00 65.44 H new ATOM 0 HB3 ASP A 65 4.022 -5.696 -12.374 1.00 65.44 H new ATOM 1043 N MET A 66 3.008 -3.469 -10.613 1.00 72.12 N ATOM 1044 CA MET A 66 1.778 -2.746 -10.326 1.00 62.14 C ATOM 1045 C MET A 66 2.076 -1.449 -9.595 1.00 23.40 C ATOM 1046 O MET A 66 1.366 -0.460 -9.753 1.00 51.42 O ATOM 1047 CB MET A 66 0.821 -3.608 -9.498 1.00 53.52 C ATOM 1048 CG MET A 66 0.353 -4.869 -10.209 1.00 43.14 C ATOM 1049 SD MET A 66 -0.912 -5.773 -9.283 1.00 53.12 S ATOM 1050 CE MET A 66 -0.001 -6.238 -7.814 1.00 4.22 C ATOM 0 H MET A 66 3.138 -4.312 -10.054 1.00 72.12 H new ATOM 0 HA MET A 66 1.299 -2.509 -11.276 1.00 62.14 H new ATOM 0 HB2 MET A 66 1.314 -3.889 -8.568 1.00 53.52 H new ATOM 0 HB3 MET A 66 -0.050 -3.010 -9.229 1.00 53.52 H new ATOM 0 HG2 MET A 66 -0.043 -4.602 -11.189 1.00 43.14 H new ATOM 0 HG3 MET A 66 1.208 -5.523 -10.379 1.00 43.14 H new ATOM 0 HE1 MET A 66 -0.665 -6.757 -7.123 1.00 4.22 H new ATOM 0 HE2 MET A 66 0.822 -6.897 -8.090 1.00 4.22 H new ATOM 0 HE3 MET A 66 0.396 -5.344 -7.334 1.00 4.22 H new ATOM 1060 N ALA A 67 3.147 -1.458 -8.811 1.00 10.12 N ATOM 1061 CA ALA A 67 3.566 -0.283 -8.059 1.00 22.32 C ATOM 1062 C ALA A 67 3.926 0.874 -8.990 1.00 34.45 C ATOM 1063 O ALA A 67 3.809 2.037 -8.621 1.00 42.21 O ATOM 1064 CB ALA A 67 4.738 -0.629 -7.160 1.00 44.55 C ATOM 0 H ALA A 67 3.745 -2.274 -8.679 1.00 10.12 H new ATOM 0 HA ALA A 67 2.729 0.040 -7.440 1.00 22.32 H new ATOM 0 HB1 ALA A 67 5.043 0.257 -6.603 1.00 44.55 H new ATOM 0 HB2 ALA A 67 4.443 -1.413 -6.463 1.00 44.55 H new ATOM 0 HB3 ALA A 67 5.572 -0.980 -7.768 1.00 44.55 H new ATOM 1070 N LYS A 68 4.358 0.544 -10.206 1.00 51.34 N ATOM 1071 CA LYS A 68 4.710 1.560 -11.194 1.00 43.54 C ATOM 1072 C LYS A 68 3.449 2.231 -11.724 1.00 40.22 C ATOM 1073 O LYS A 68 3.409 3.450 -11.918 1.00 25.01 O ATOM 1074 CB LYS A 68 5.495 0.941 -12.352 1.00 55.03 C ATOM 1075 CG LYS A 68 6.751 0.194 -11.922 1.00 2.52 C ATOM 1076 CD LYS A 68 7.450 -0.466 -13.108 1.00 62.42 C ATOM 1077 CE LYS A 68 6.489 -1.336 -13.902 1.00 3.42 C ATOM 1078 NZ LYS A 68 7.191 -2.263 -14.821 1.00 14.12 N ATOM 0 H LYS A 68 4.472 -0.417 -10.529 1.00 51.34 H new ATOM 0 HA LYS A 68 5.339 2.307 -10.709 1.00 43.54 H new ATOM 0 HB2 LYS A 68 4.844 0.254 -12.892 1.00 55.03 H new ATOM 0 HB3 LYS A 68 5.775 1.730 -13.050 1.00 55.03 H new ATOM 0 HG2 LYS A 68 7.437 0.887 -11.435 1.00 2.52 H new ATOM 0 HG3 LYS A 68 6.488 -0.566 -11.186 1.00 2.52 H new ATOM 0 HD2 LYS A 68 7.871 0.301 -13.758 1.00 62.42 H new ATOM 0 HD3 LYS A 68 8.282 -1.072 -12.751 1.00 62.42 H new ATOM 0 HE2 LYS A 68 5.871 -1.911 -13.213 1.00 3.42 H new ATOM 0 HE3 LYS A 68 5.817 -0.699 -14.477 1.00 3.42 H new ATOM 0 HZ1 LYS A 68 6.648 -3.146 -14.905 1.00 14.12 H new ATOM 0 HZ2 LYS A 68 7.280 -1.821 -15.758 1.00 14.12 H new ATOM 0 HZ3 LYS A 68 8.138 -2.473 -14.446 1.00 14.12 H new ATOM 1092 N ALA A 69 2.416 1.430 -11.942 1.00 31.02 N ATOM 1093 CA ALA A 69 1.144 1.936 -12.431 1.00 41.53 C ATOM 1094 C ALA A 69 0.433 2.715 -11.337 1.00 62.23 C ATOM 1095 O ALA A 69 -0.213 3.734 -11.597 1.00 45.44 O ATOM 1096 CB ALA A 69 0.270 0.789 -12.925 1.00 42.54 C ATOM 0 H ALA A 69 2.436 0.422 -11.787 1.00 31.02 H new ATOM 0 HA ALA A 69 1.334 2.608 -13.268 1.00 41.53 H new ATOM 0 HB1 ALA A 69 -0.679 1.185 -13.288 1.00 42.54 H new ATOM 0 HB2 ALA A 69 0.779 0.267 -13.735 1.00 42.54 H new ATOM 0 HB3 ALA A 69 0.084 0.094 -12.106 1.00 42.54 H new ATOM 1102 N ASP A 70 0.575 2.238 -10.104 1.00 25.11 N ATOM 1103 CA ASP A 70 -0.033 2.890 -8.951 1.00 45.42 C ATOM 1104 C ASP A 70 0.748 4.151 -8.582 1.00 65.12 C ATOM 1105 O ASP A 70 0.291 4.980 -7.801 1.00 43.31 O ATOM 1106 CB ASP A 70 -0.097 1.927 -7.759 1.00 23.54 C ATOM 1107 CG ASP A 70 -1.045 2.406 -6.673 1.00 21.02 C ATOM 1108 OD1 ASP A 70 -2.281 2.252 -6.848 1.00 43.31 O ATOM 1109 OD2 ASP A 70 -0.572 2.924 -5.645 1.00 3.32 O ATOM 0 H ASP A 70 1.108 1.398 -9.878 1.00 25.11 H new ATOM 0 HA ASP A 70 -1.051 3.177 -9.212 1.00 45.42 H new ATOM 0 HB2 ASP A 70 -0.415 0.944 -8.107 1.00 23.54 H new ATOM 0 HB3 ASP A 70 0.902 1.808 -7.338 1.00 23.54 H new ATOM 1114 N LYS A 71 1.920 4.306 -9.176 1.00 23.32 N ATOM 1115 CA LYS A 71 2.733 5.481 -8.944 1.00 4.33 C ATOM 1116 C LYS A 71 2.260 6.585 -9.871 1.00 73.13 C ATOM 1117 O LYS A 71 2.046 7.723 -9.459 1.00 60.03 O ATOM 1118 CB LYS A 71 4.219 5.172 -9.193 1.00 72.35 C ATOM 1119 CG LYS A 71 5.161 6.339 -8.899 1.00 71.10 C ATOM 1120 CD LYS A 71 6.624 5.948 -9.085 1.00 2.42 C ATOM 1121 CE LYS A 71 6.958 5.676 -10.546 1.00 61.32 C ATOM 1122 NZ LYS A 71 6.854 6.901 -11.384 1.00 4.20 N ATOM 0 H LYS A 71 2.327 3.630 -9.823 1.00 23.32 H new ATOM 0 HA LYS A 71 2.630 5.798 -7.906 1.00 4.33 H new ATOM 0 HB2 LYS A 71 4.510 4.321 -8.576 1.00 72.35 H new ATOM 0 HB3 LYS A 71 4.346 4.870 -10.233 1.00 72.35 H new ATOM 0 HG2 LYS A 71 4.922 7.174 -9.557 1.00 71.10 H new ATOM 0 HG3 LYS A 71 5.004 6.684 -7.877 1.00 71.10 H new ATOM 0 HD2 LYS A 71 7.264 6.746 -8.709 1.00 2.42 H new ATOM 0 HD3 LYS A 71 6.841 5.060 -8.492 1.00 2.42 H new ATOM 0 HE2 LYS A 71 7.969 5.274 -10.617 1.00 61.32 H new ATOM 0 HE3 LYS A 71 6.284 4.913 -10.935 1.00 61.32 H new ATOM 0 HZ1 LYS A 71 6.939 6.643 -12.388 1.00 4.20 H new ATOM 0 HZ2 LYS A 71 5.933 7.356 -11.220 1.00 4.20 H new ATOM 0 HZ3 LYS A 71 7.617 7.561 -11.130 1.00 4.20 H new ATOM 1136 N ALA A 72 2.033 6.203 -11.111 1.00 1.25 N ATOM 1137 CA ALA A 72 1.587 7.103 -12.166 1.00 35.44 C ATOM 1138 C ALA A 72 0.202 7.708 -11.884 1.00 5.04 C ATOM 1139 O ALA A 72 -0.251 8.589 -12.609 1.00 24.23 O ATOM 1140 CB ALA A 72 1.584 6.378 -13.495 1.00 11.44 C ATOM 0 H ALA A 72 2.154 5.240 -11.424 1.00 1.25 H new ATOM 0 HA ALA A 72 2.292 7.934 -12.201 1.00 35.44 H new ATOM 0 HB1 ALA A 72 1.249 7.057 -14.279 1.00 11.44 H new ATOM 0 HB2 ALA A 72 2.592 6.030 -13.722 1.00 11.44 H new ATOM 0 HB3 ALA A 72 0.909 5.524 -13.442 1.00 11.44 H new ATOM 1146 N ARG A 73 -0.457 7.243 -10.833 1.00 15.04 N ATOM 1147 CA ARG A 73 -1.805 7.709 -10.550 1.00 11.10 C ATOM 1148 C ARG A 73 -1.824 8.785 -9.456 1.00 41.42 C ATOM 1149 O ARG A 73 -2.725 9.619 -9.416 1.00 42.10 O ATOM 1150 CB ARG A 73 -2.786 6.545 -10.255 1.00 64.43 C ATOM 1151 CG ARG A 73 -2.387 5.592 -9.131 1.00 11.03 C ATOM 1152 CD ARG A 73 -2.600 6.194 -7.749 1.00 21.42 C ATOM 1153 NE ARG A 73 -3.967 6.677 -7.559 1.00 45.44 N ATOM 1154 CZ ARG A 73 -4.488 7.004 -6.377 1.00 73.25 C ATOM 1155 NH1 ARG A 73 -3.785 6.837 -5.263 1.00 24.01 N ATOM 1156 NH2 ARG A 73 -5.719 7.486 -6.308 1.00 32.41 N ATOM 0 H ARG A 73 -0.089 6.557 -10.174 1.00 15.04 H new ATOM 0 HA ARG A 73 -2.168 8.185 -11.461 1.00 11.10 H new ATOM 0 HB2 ARG A 73 -3.759 6.971 -10.013 1.00 64.43 H new ATOM 0 HB3 ARG A 73 -2.911 5.963 -11.168 1.00 64.43 H new ATOM 0 HG2 ARG A 73 -2.967 4.673 -9.216 1.00 11.03 H new ATOM 0 HG3 ARG A 73 -1.338 5.319 -9.246 1.00 11.03 H new ATOM 0 HD2 ARG A 73 -2.373 5.445 -6.990 1.00 21.42 H new ATOM 0 HD3 ARG A 73 -1.902 7.018 -7.603 1.00 21.42 H new ATOM 0 HE ARG A 73 -4.560 6.770 -8.384 1.00 45.44 H new ATOM 0 HH11 ARG A 73 -2.840 6.456 -5.309 1.00 24.01 H new ATOM 0 HH12 ARG A 73 -4.190 7.090 -4.362 1.00 24.01 H new ATOM 0 HH21 ARG A 73 -6.268 7.607 -7.159 1.00 32.41 H new ATOM 0 HH22 ARG A 73 -6.119 7.737 -5.404 1.00 32.41 H new ATOM 1170 N TYR A 74 -0.820 8.772 -8.575 1.00 55.31 N ATOM 1171 CA TYR A 74 -0.769 9.752 -7.491 1.00 41.44 C ATOM 1172 C TYR A 74 0.135 10.923 -7.853 1.00 30.12 C ATOM 1173 O TYR A 74 -0.082 12.047 -7.397 1.00 23.53 O ATOM 1174 CB TYR A 74 -0.299 9.112 -6.160 1.00 13.23 C ATOM 1175 CG TYR A 74 1.208 8.917 -6.043 1.00 21.33 C ATOM 1176 CD1 TYR A 74 2.034 9.951 -5.596 1.00 41.33 C ATOM 1177 CD2 TYR A 74 1.801 7.715 -6.380 1.00 3.14 C ATOM 1178 CE1 TYR A 74 3.401 9.783 -5.499 1.00 64.44 C ATOM 1179 CE2 TYR A 74 3.169 7.541 -6.279 1.00 21.15 C ATOM 1180 CZ TYR A 74 3.961 8.576 -5.841 1.00 13.13 C ATOM 1181 OH TYR A 74 5.324 8.403 -5.756 1.00 21.21 O ATOM 0 H TYR A 74 -0.047 8.107 -8.590 1.00 55.31 H new ATOM 0 HA TYR A 74 -1.784 10.122 -7.349 1.00 41.44 H new ATOM 0 HB2 TYR A 74 -0.636 9.738 -5.333 1.00 13.23 H new ATOM 0 HB3 TYR A 74 -0.787 8.144 -6.046 1.00 13.23 H new ATOM 0 HD1 TYR A 74 1.595 10.899 -5.321 1.00 41.33 H new ATOM 0 HD2 TYR A 74 1.186 6.898 -6.728 1.00 3.14 H new ATOM 0 HE1 TYR A 74 4.026 10.595 -5.157 1.00 64.44 H new ATOM 0 HE2 TYR A 74 3.615 6.594 -6.544 1.00 21.15 H new ATOM 0 HH TYR A 74 5.536 7.448 -5.806 1.00 21.21 H new ATOM 1191 N GLU A 75 1.160 10.648 -8.671 1.00 61.03 N ATOM 1192 CA GLU A 75 2.139 11.665 -9.054 1.00 2.25 C ATOM 1193 C GLU A 75 1.484 12.915 -9.610 1.00 13.23 C ATOM 1194 O GLU A 75 1.912 14.026 -9.296 1.00 63.05 O ATOM 1195 CB GLU A 75 3.169 11.108 -10.036 1.00 32.44 C ATOM 1196 CG GLU A 75 4.014 9.992 -9.450 1.00 72.25 C ATOM 1197 CD GLU A 75 5.209 9.642 -10.303 1.00 5.22 C ATOM 1198 OE1 GLU A 75 5.036 8.973 -11.346 1.00 74.01 O ATOM 1199 OE2 GLU A 75 6.336 10.030 -9.930 1.00 62.23 O ATOM 0 H GLU A 75 1.330 9.728 -9.078 1.00 61.03 H new ATOM 0 HA GLU A 75 2.661 11.953 -8.141 1.00 2.25 H new ATOM 0 HB2 GLU A 75 2.653 10.737 -10.922 1.00 32.44 H new ATOM 0 HB3 GLU A 75 3.823 11.916 -10.363 1.00 32.44 H new ATOM 0 HG2 GLU A 75 4.357 10.287 -8.458 1.00 72.25 H new ATOM 0 HG3 GLU A 75 3.394 9.104 -9.322 1.00 72.25 H new ATOM 1206 N ARG A 76 0.438 12.745 -10.421 1.00 41.21 N ATOM 1207 CA ARG A 76 -0.282 13.878 -10.985 1.00 1.44 C ATOM 1208 C ARG A 76 -0.828 14.793 -9.882 1.00 23.41 C ATOM 1209 O ARG A 76 -0.671 16.013 -9.946 1.00 14.41 O ATOM 1210 CB ARG A 76 -1.419 13.379 -11.905 1.00 70.34 C ATOM 1211 CG ARG A 76 -2.480 12.538 -11.201 1.00 21.14 C ATOM 1212 CD ARG A 76 -3.435 11.883 -12.188 1.00 73.12 C ATOM 1213 NE ARG A 76 -2.799 10.784 -12.928 1.00 71.44 N ATOM 1214 CZ ARG A 76 -3.445 9.690 -13.352 1.00 31.35 C ATOM 1215 NH1 ARG A 76 -4.746 9.554 -13.130 1.00 13.23 N ATOM 1216 NH2 ARG A 76 -2.787 8.734 -13.990 1.00 42.35 N ATOM 0 H ARG A 76 0.074 11.833 -10.699 1.00 41.21 H new ATOM 0 HA ARG A 76 0.415 14.467 -11.582 1.00 1.44 H new ATOM 0 HB2 ARG A 76 -1.903 14.241 -12.364 1.00 70.34 H new ATOM 0 HB3 ARG A 76 -0.984 12.790 -12.713 1.00 70.34 H new ATOM 0 HG2 ARG A 76 -1.994 11.768 -10.602 1.00 21.14 H new ATOM 0 HG3 ARG A 76 -3.045 13.168 -10.514 1.00 21.14 H new ATOM 0 HD2 ARG A 76 -4.305 11.503 -11.652 1.00 73.12 H new ATOM 0 HD3 ARG A 76 -3.797 12.632 -12.893 1.00 73.12 H new ATOM 0 HE ARG A 76 -1.802 10.859 -13.132 1.00 71.44 H new ATOM 0 HH11 ARG A 76 -5.258 10.284 -12.635 1.00 13.23 H new ATOM 0 HH12 ARG A 76 -5.234 8.719 -13.455 1.00 13.23 H new ATOM 0 HH21 ARG A 76 -1.786 8.830 -14.160 1.00 42.35 H new ATOM 0 HH22 ARG A 76 -3.281 7.902 -14.312 1.00 42.35 H new ATOM 1230 N GLU A 77 -1.465 14.192 -8.880 1.00 32.10 N ATOM 1231 CA GLU A 77 -2.009 14.929 -7.747 1.00 53.12 C ATOM 1232 C GLU A 77 -0.918 15.647 -6.971 1.00 31.40 C ATOM 1233 O GLU A 77 -1.119 16.758 -6.495 1.00 55.11 O ATOM 1234 CB GLU A 77 -2.774 13.994 -6.813 1.00 54.43 C ATOM 1235 CG GLU A 77 -4.021 13.400 -7.429 1.00 52.12 C ATOM 1236 CD GLU A 77 -4.959 14.460 -7.952 1.00 32.34 C ATOM 1237 OE1 GLU A 77 -5.469 15.263 -7.143 1.00 12.32 O ATOM 1238 OE2 GLU A 77 -5.184 14.503 -9.174 1.00 61.23 O ATOM 0 H GLU A 77 -1.617 13.185 -8.832 1.00 32.10 H new ATOM 0 HA GLU A 77 -2.693 15.677 -8.147 1.00 53.12 H new ATOM 0 HB2 GLU A 77 -2.113 13.185 -6.503 1.00 54.43 H new ATOM 0 HB3 GLU A 77 -3.051 14.542 -5.913 1.00 54.43 H new ATOM 0 HG2 GLU A 77 -3.739 12.733 -8.243 1.00 52.12 H new ATOM 0 HG3 GLU A 77 -4.539 12.794 -6.685 1.00 52.12 H new ATOM 1245 N MET A 78 0.232 15.009 -6.848 1.00 35.25 N ATOM 1246 CA MET A 78 1.346 15.589 -6.114 1.00 54.33 C ATOM 1247 C MET A 78 1.900 16.815 -6.840 1.00 22.14 C ATOM 1248 O MET A 78 1.855 17.921 -6.318 1.00 33.22 O ATOM 1249 CB MET A 78 2.452 14.549 -5.904 1.00 53.41 C ATOM 1250 CG MET A 78 3.625 15.020 -5.038 1.00 32.15 C ATOM 1251 SD MET A 78 3.172 15.341 -3.309 1.00 14.31 S ATOM 1252 CE MET A 78 2.738 17.084 -3.364 1.00 64.23 C ATOM 0 H MET A 78 0.421 14.089 -7.246 1.00 35.25 H new ATOM 0 HA MET A 78 0.978 15.908 -5.139 1.00 54.33 H new ATOM 0 HB2 MET A 78 2.014 13.662 -5.446 1.00 53.41 H new ATOM 0 HB3 MET A 78 2.837 14.248 -6.878 1.00 53.41 H new ATOM 0 HG2 MET A 78 4.411 14.265 -5.064 1.00 32.15 H new ATOM 0 HG3 MET A 78 4.042 15.930 -5.470 1.00 32.15 H new ATOM 0 HE1 MET A 78 3.069 17.570 -2.446 1.00 64.23 H new ATOM 0 HE2 MET A 78 3.224 17.553 -4.219 1.00 64.23 H new ATOM 0 HE3 MET A 78 1.657 17.187 -3.460 1.00 64.23 H new ATOM 1262 N LYS A 79 2.413 16.607 -8.047 1.00 73.33 N ATOM 1263 CA LYS A 79 2.996 17.698 -8.840 1.00 74.11 C ATOM 1264 C LYS A 79 2.026 18.879 -9.058 1.00 72.31 C ATOM 1265 O LYS A 79 2.463 20.019 -9.227 1.00 23.24 O ATOM 1266 CB LYS A 79 3.574 17.178 -10.183 1.00 53.51 C ATOM 1267 CG LYS A 79 2.567 16.546 -11.149 1.00 43.12 C ATOM 1268 CD LYS A 79 1.824 17.595 -11.970 1.00 62.01 C ATOM 1269 CE LYS A 79 0.947 16.952 -13.035 1.00 14.44 C ATOM 1270 NZ LYS A 79 1.750 16.222 -14.049 1.00 64.00 N ATOM 0 H LYS A 79 2.440 15.695 -8.503 1.00 73.33 H new ATOM 0 HA LYS A 79 3.822 18.094 -8.249 1.00 74.11 H new ATOM 0 HB2 LYS A 79 4.062 18.009 -10.691 1.00 53.51 H new ATOM 0 HB3 LYS A 79 4.347 16.442 -9.962 1.00 53.51 H new ATOM 0 HG2 LYS A 79 3.088 15.863 -11.820 1.00 43.12 H new ATOM 0 HG3 LYS A 79 1.848 15.952 -10.585 1.00 43.12 H new ATOM 0 HD2 LYS A 79 1.208 18.206 -11.310 1.00 62.01 H new ATOM 0 HD3 LYS A 79 2.543 18.264 -12.444 1.00 62.01 H new ATOM 0 HE2 LYS A 79 0.248 16.263 -12.562 1.00 14.44 H new ATOM 0 HE3 LYS A 79 0.352 17.721 -13.528 1.00 14.44 H new ATOM 0 HZ1 LYS A 79 1.168 16.049 -14.893 1.00 64.00 H new ATOM 0 HZ2 LYS A 79 2.579 16.792 -14.311 1.00 64.00 H new ATOM 0 HZ3 LYS A 79 2.065 15.313 -13.653 1.00 64.00 H new ATOM 1284 N THR A 80 0.722 18.612 -9.029 1.00 21.44 N ATOM 1285 CA THR A 80 -0.270 19.664 -9.246 1.00 41.34 C ATOM 1286 C THR A 80 -0.637 20.365 -7.925 1.00 32.22 C ATOM 1287 O THR A 80 -1.307 21.403 -7.920 1.00 22.22 O ATOM 1288 CB THR A 80 -1.556 19.103 -9.925 1.00 1.22 C ATOM 1289 OG1 THR A 80 -2.281 20.160 -10.559 1.00 55.30 O ATOM 1290 CG2 THR A 80 -2.467 18.416 -8.914 1.00 71.35 C ATOM 0 H THR A 80 0.330 17.686 -8.859 1.00 21.44 H new ATOM 0 HA THR A 80 0.182 20.396 -9.915 1.00 41.34 H new ATOM 0 HB THR A 80 -1.240 18.369 -10.667 1.00 1.22 H new ATOM 0 HG1 THR A 80 -2.223 20.971 -10.011 1.00 55.30 H new ATOM 0 HG21 THR A 80 -3.354 18.037 -9.422 1.00 71.35 H new ATOM 0 HG22 THR A 80 -1.934 17.587 -8.448 1.00 71.35 H new ATOM 0 HG23 THR A 80 -2.766 19.132 -8.148 1.00 71.35 H new ATOM 1298 N TYR A 81 -0.188 19.801 -6.818 1.00 22.11 N ATOM 1299 CA TYR A 81 -0.472 20.352 -5.509 1.00 21.41 C ATOM 1300 C TYR A 81 0.753 21.052 -4.952 1.00 11.34 C ATOM 1301 O TYR A 81 1.874 20.566 -5.094 1.00 4.34 O ATOM 1302 CB TYR A 81 -0.932 19.241 -4.552 1.00 34.22 C ATOM 1303 CG TYR A 81 -1.129 19.696 -3.122 1.00 2.33 C ATOM 1304 CD1 TYR A 81 -2.157 20.563 -2.784 1.00 52.02 C ATOM 1305 CD2 TYR A 81 -0.280 19.260 -2.110 1.00 54.54 C ATOM 1306 CE1 TYR A 81 -2.336 20.983 -1.482 1.00 54.32 C ATOM 1307 CE2 TYR A 81 -0.454 19.675 -0.804 1.00 0.45 C ATOM 1308 CZ TYR A 81 -1.483 20.535 -0.496 1.00 74.44 C ATOM 1309 OH TYR A 81 -1.664 20.953 0.802 1.00 71.53 O ATOM 0 H TYR A 81 0.380 18.954 -6.802 1.00 22.11 H new ATOM 0 HA TYR A 81 -1.274 21.083 -5.607 1.00 21.41 H new ATOM 0 HB2 TYR A 81 -1.869 18.824 -4.921 1.00 34.22 H new ATOM 0 HB3 TYR A 81 -0.197 18.436 -4.567 1.00 34.22 H new ATOM 0 HD1 TYR A 81 -2.829 20.915 -3.553 1.00 52.02 H new ATOM 0 HD2 TYR A 81 0.529 18.586 -2.349 1.00 54.54 H new ATOM 0 HE1 TYR A 81 -3.141 21.660 -1.236 1.00 54.32 H new ATOM 0 HE2 TYR A 81 0.213 19.327 -0.030 1.00 0.45 H new ATOM 0 HH TYR A 81 -2.615 21.131 0.959 1.00 71.53 H new ATOM 1319 N ILE A 82 0.542 22.196 -4.335 1.00 31.45 N ATOM 1320 CA ILE A 82 1.626 22.940 -3.738 1.00 2.52 C ATOM 1321 C ILE A 82 1.678 22.662 -2.243 1.00 12.45 C ATOM 1322 O ILE A 82 0.774 23.053 -1.500 1.00 4.10 O ATOM 1323 CB ILE A 82 1.469 24.463 -3.974 1.00 22.52 C ATOM 1324 CG1 ILE A 82 1.351 24.770 -5.477 1.00 15.24 C ATOM 1325 CG2 ILE A 82 2.638 25.228 -3.359 1.00 60.22 C ATOM 1326 CD1 ILE A 82 2.545 24.322 -6.299 1.00 73.21 C ATOM 0 H ILE A 82 -0.375 22.631 -4.235 1.00 31.45 H new ATOM 0 HA ILE A 82 2.553 22.617 -4.211 1.00 2.52 H new ATOM 0 HB ILE A 82 0.552 24.791 -3.485 1.00 22.52 H new ATOM 0 HG12 ILE A 82 0.455 24.287 -5.866 1.00 15.24 H new ATOM 0 HG13 ILE A 82 1.216 25.844 -5.608 1.00 15.24 H new ATOM 0 HG21 ILE A 82 2.508 26.296 -3.536 1.00 60.22 H new ATOM 0 HG22 ILE A 82 2.672 25.040 -2.286 1.00 60.22 H new ATOM 0 HG23 ILE A 82 3.571 24.896 -3.815 1.00 60.22 H new ATOM 0 HD11 ILE A 82 2.381 24.576 -7.346 1.00 73.21 H new ATOM 0 HD12 ILE A 82 3.443 24.824 -5.940 1.00 73.21 H new ATOM 0 HD13 ILE A 82 2.669 23.243 -6.202 1.00 73.21 H new ATOM 1338 N PRO A 83 2.716 21.958 -1.787 1.00 2.41 N ATOM 1339 CA PRO A 83 2.881 21.627 -0.378 1.00 52.24 C ATOM 1340 C PRO A 83 3.418 22.814 0.425 1.00 43.14 C ATOM 1341 O PRO A 83 3.956 23.768 -0.149 1.00 43.21 O ATOM 1342 CB PRO A 83 3.908 20.490 -0.411 1.00 42.05 C ATOM 1343 CG PRO A 83 4.738 20.770 -1.616 1.00 64.35 C ATOM 1344 CD PRO A 83 3.822 21.428 -2.617 1.00 61.31 C ATOM 0 HA PRO A 83 1.941 21.357 0.103 1.00 52.24 H new ATOM 0 HB2 PRO A 83 4.515 20.477 0.494 1.00 42.05 H new ATOM 0 HB3 PRO A 83 3.421 19.517 -0.482 1.00 42.05 H new ATOM 0 HG2 PRO A 83 5.576 21.422 -1.368 1.00 64.35 H new ATOM 0 HG3 PRO A 83 5.159 19.850 -2.021 1.00 64.35 H new ATOM 0 HD2 PRO A 83 4.330 22.224 -3.162 1.00 61.31 H new ATOM 0 HD3 PRO A 83 3.460 20.715 -3.358 1.00 61.31 H new ATOM 1352 N PRO A 84 3.247 22.791 1.758 1.00 62.02 N ATOM 1353 CA PRO A 84 3.762 23.845 2.630 1.00 65.42 C ATOM 1354 C PRO A 84 5.287 23.924 2.584 1.00 5.44 C ATOM 1355 O PRO A 84 5.987 23.059 3.122 1.00 64.14 O ATOM 1356 CB PRO A 84 3.280 23.440 4.032 1.00 63.32 C ATOM 1357 CG PRO A 84 2.944 21.990 3.928 1.00 20.42 C ATOM 1358 CD PRO A 84 2.521 21.754 2.509 1.00 2.15 C ATOM 0 HA PRO A 84 3.411 24.832 2.328 1.00 65.42 H new ATOM 0 HB2 PRO A 84 4.055 23.612 4.779 1.00 63.32 H new ATOM 0 HB3 PRO A 84 2.411 24.025 4.334 1.00 63.32 H new ATOM 0 HG2 PRO A 84 3.805 21.373 4.184 1.00 20.42 H new ATOM 0 HG3 PRO A 84 2.145 21.726 4.621 1.00 20.42 H new ATOM 0 HD2 PRO A 84 2.788 20.753 2.172 1.00 2.15 H new ATOM 0 HD3 PRO A 84 1.442 21.853 2.390 1.00 2.15 H new ATOM 1366 N LYS A 85 5.796 24.951 1.918 1.00 31.15 N ATOM 1367 CA LYS A 85 7.231 25.144 1.777 1.00 61.42 C ATOM 1368 C LYS A 85 7.757 26.061 2.873 1.00 2.23 C ATOM 1369 O LYS A 85 8.955 26.350 2.943 1.00 13.21 O ATOM 1370 CB LYS A 85 7.554 25.732 0.396 1.00 64.40 C ATOM 1371 CG LYS A 85 7.054 24.881 -0.769 1.00 11.01 C ATOM 1372 CD LYS A 85 7.380 25.503 -2.127 1.00 60.42 C ATOM 1373 CE LYS A 85 8.796 25.164 -2.606 1.00 20.52 C ATOM 1374 NZ LYS A 85 9.856 25.787 -1.775 1.00 25.55 N ATOM 0 H LYS A 85 5.231 25.668 1.464 1.00 31.15 H new ATOM 0 HA LYS A 85 7.721 24.175 1.871 1.00 61.42 H new ATOM 0 HB2 LYS A 85 7.113 26.726 0.323 1.00 64.40 H new ATOM 0 HB3 LYS A 85 8.633 25.855 0.307 1.00 64.40 H new ATOM 0 HG2 LYS A 85 7.502 23.889 -0.710 1.00 11.01 H new ATOM 0 HG3 LYS A 85 5.976 24.749 -0.682 1.00 11.01 H new ATOM 0 HD2 LYS A 85 6.658 25.154 -2.865 1.00 60.42 H new ATOM 0 HD3 LYS A 85 7.272 26.586 -2.062 1.00 60.42 H new ATOM 0 HE2 LYS A 85 8.926 24.082 -2.599 1.00 20.52 H new ATOM 0 HE3 LYS A 85 8.912 25.492 -3.639 1.00 20.52 H new ATOM 0 HZ1 LYS A 85 10.688 25.987 -2.366 1.00 25.55 H new ATOM 0 HZ2 LYS A 85 9.500 26.675 -1.367 1.00 25.55 H new ATOM 0 HZ3 LYS A 85 10.124 25.136 -1.009 1.00 25.55 H new ATOM 1388 N GLY A 86 6.857 26.513 3.724 1.00 72.52 N ATOM 1389 CA GLY A 86 7.234 27.395 4.805 1.00 74.43 C ATOM 1390 C GLY A 86 6.478 28.695 4.753 1.00 5.13 C ATOM 1391 O GLY A 86 6.385 29.415 5.748 1.00 35.20 O ATOM 0 H GLY A 86 5.864 26.284 3.686 1.00 72.52 H new ATOM 0 HA2 GLY A 86 7.045 26.902 5.759 1.00 74.43 H new ATOM 0 HA3 GLY A 86 8.304 27.594 4.755 1.00 74.43 H new ATOM 1395 N GLU A 87 5.936 28.998 3.595 1.00 1.10 N ATOM 1396 CA GLU A 87 5.172 30.207 3.408 1.00 62.21 C ATOM 1397 C GLU A 87 3.689 29.897 3.535 1.00 12.32 C ATOM 1398 O GLU A 87 3.137 29.248 2.623 1.00 0.00 O ATOM 1399 CB GLU A 87 5.465 30.818 2.040 1.00 63.00 C ATOM 1400 CG GLU A 87 4.820 32.173 1.829 1.00 42.43 C ATOM 1401 CD GLU A 87 4.858 32.610 0.391 1.00 53.34 C ATOM 1402 OE1 GLU A 87 3.916 32.277 -0.353 1.00 15.21 O ATOM 1403 OE2 GLU A 87 5.828 33.288 -0.006 1.00 41.20 O ATOM 1404 OXT GLU A 87 3.082 30.287 4.550 1.00 0.00 O ATOM 0 H GLU A 87 6.013 28.415 2.761 1.00 1.10 H new ATOM 0 HA GLU A 87 5.457 30.928 4.175 1.00 62.21 H new ATOM 0 HB2 GLU A 87 6.544 30.916 1.919 1.00 63.00 H new ATOM 0 HB3 GLU A 87 5.118 30.135 1.265 1.00 63.00 H new ATOM 0 HG2 GLU A 87 3.784 32.136 2.167 1.00 42.43 H new ATOM 0 HG3 GLU A 87 5.330 32.914 2.444 1.00 42.43 H new TER 1411 GLU A 87