USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 618 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 80 TYR OH : rot 165:sc= 0 USER MOD Set 1.2: A 84 LYS NZ :NH3+ -106:sc= 1.61 (180deg=-0.189) USER MOD Set 2.1: A 32 SER OG : rot 180:sc= 0.0919 USER MOD Set 2.2: A 34 THR OG1 : rot -31:sc= -0.0114 USER MOD Set 2.3: A 35 THR OG1 : rot -161:sc= -0.619 USER MOD Set 3.1: A 16 SER OG : rot 120:sc= 0.35 USER MOD Set 3.2: A 54 SER OG : rot -148:sc= 0.371 USER MOD Single : A 6 SER OG : rot 180:sc= -0.459 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0.727 K(o=0.73,f=-5.8!) USER MOD Single : A 14 MET CE :methyl -177:sc= -2.39! (180deg=-2.41!) USER MOD Single : A 20 CYS SG : rot 150:sc= -0.337 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.784 X(o=-0.78,f=-1.2) USER MOD Single : A 27 GLN : amide:sc= -1.71 K(o=-1.7,f=-3!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.17 K(o=-0.17,f=-2.3!) USER MOD Single : A 36 ASN : amide:sc= -1.63 K(o=-1.6,f=-5.4) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 151:sc= -0.207 (180deg=-0.963) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 81:sc= 0.938 USER MOD Single : A 69 GLN : amide:sc= -0.0209 K(o=-0.021,f=-1) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.728 USER MOD Single : A 78 CYS SG : rot -27:sc= -0.285 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N SER A 6 0.006 -11.829 -2.736 1.00 10.42 N ATOM 67 CA SER A 6 -0.845 -12.606 -1.842 1.00 13.32 C ATOM 68 C SER A 6 -0.597 -12.223 -0.387 1.00 1.55 C ATOM 69 O SER A 6 0.385 -12.651 0.220 1.00 70.20 O ATOM 70 CB SER A 6 -0.595 -14.102 -2.038 1.00 31.11 C ATOM 71 OG SER A 6 -1.332 -14.603 -3.140 1.00 12.30 O ATOM 0 HA SER A 6 -1.884 -12.384 -2.085 1.00 13.32 H new ATOM 0 HB2 SER A 6 0.469 -14.278 -2.198 1.00 31.11 H new ATOM 0 HB3 SER A 6 -0.875 -14.642 -1.134 1.00 31.11 H new ATOM 0 HG SER A 6 -1.153 -15.561 -3.245 1.00 12.30 H new ATOM 77 N GLU A 7 -1.494 -11.413 0.168 1.00 25.12 N ATOM 78 CA GLU A 7 -1.372 -10.971 1.552 1.00 23.40 C ATOM 79 C GLU A 7 -1.199 -12.164 2.490 1.00 11.43 C ATOM 80 O GLU A 7 -0.435 -12.104 3.452 1.00 4.20 O ATOM 81 CB GLU A 7 -2.601 -10.159 1.963 1.00 61.41 C ATOM 82 CG GLU A 7 -3.914 -10.898 1.763 1.00 52.15 C ATOM 83 CD GLU A 7 -5.112 -9.969 1.761 1.00 32.24 C ATOM 84 OE1 GLU A 7 -5.432 -9.416 0.688 1.00 13.40 O ATOM 85 OE2 GLU A 7 -5.730 -9.795 2.832 1.00 63.30 O ATOM 0 H GLU A 7 -2.313 -11.050 -0.320 1.00 25.12 H new ATOM 0 HA GLU A 7 -0.487 -10.339 1.628 1.00 23.40 H new ATOM 0 HB2 GLU A 7 -2.507 -9.880 3.012 1.00 61.41 H new ATOM 0 HB3 GLU A 7 -2.623 -9.233 1.388 1.00 61.41 H new ATOM 0 HG2 GLU A 7 -3.880 -11.443 0.819 1.00 52.15 H new ATOM 0 HG3 GLU A 7 -4.034 -11.638 2.554 1.00 52.15 H new ATOM 92 N GLU A 8 -1.918 -13.244 2.203 1.00 62.33 N ATOM 93 CA GLU A 8 -1.846 -14.449 3.020 1.00 22.01 C ATOM 94 C GLU A 8 -0.410 -14.955 3.119 1.00 45.53 C ATOM 95 O GLU A 8 0.099 -15.200 4.213 1.00 0.33 O ATOM 96 CB GLU A 8 -2.745 -15.542 2.438 1.00 5.22 C ATOM 97 CG GLU A 8 -2.969 -16.712 3.382 1.00 4.01 C ATOM 98 CD GLU A 8 -4.062 -16.441 4.397 1.00 65.32 C ATOM 99 OE1 GLU A 8 -5.240 -16.721 4.091 1.00 20.33 O ATOM 100 OE2 GLU A 8 -3.739 -15.949 5.499 1.00 10.50 O ATOM 0 H GLU A 8 -2.557 -13.309 1.411 1.00 62.33 H new ATOM 0 HA GLU A 8 -2.194 -14.198 4.022 1.00 22.01 H new ATOM 0 HB2 GLU A 8 -3.710 -15.107 2.177 1.00 5.22 H new ATOM 0 HB3 GLU A 8 -2.301 -15.912 1.513 1.00 5.22 H new ATOM 0 HG2 GLU A 8 -3.228 -17.598 2.802 1.00 4.01 H new ATOM 0 HG3 GLU A 8 -2.039 -16.935 3.905 1.00 4.01 H new ATOM 107 N ILE A 9 0.237 -15.108 1.969 1.00 60.43 N ATOM 108 CA ILE A 9 1.614 -15.584 1.926 1.00 52.14 C ATOM 109 C ILE A 9 2.583 -14.512 2.412 1.00 13.42 C ATOM 110 O ILE A 9 3.614 -14.816 3.011 1.00 51.22 O ATOM 111 CB ILE A 9 2.017 -16.014 0.502 1.00 32.12 C ATOM 112 CG1 ILE A 9 0.905 -16.851 -0.134 1.00 51.12 C ATOM 113 CG2 ILE A 9 3.322 -16.796 0.534 1.00 50.42 C ATOM 114 CD1 ILE A 9 1.273 -17.414 -1.489 1.00 72.45 C ATOM 0 H ILE A 9 -0.170 -14.909 1.055 1.00 60.43 H new ATOM 0 HA ILE A 9 1.669 -16.448 2.588 1.00 52.14 H new ATOM 0 HB ILE A 9 2.166 -15.120 -0.103 1.00 32.12 H new ATOM 0 HG12 ILE A 9 0.652 -17.673 0.536 1.00 51.12 H new ATOM 0 HG13 ILE A 9 0.011 -16.236 -0.236 1.00 51.12 H new ATOM 0 HG21 ILE A 9 3.593 -17.093 -0.479 1.00 50.42 H new ATOM 0 HG22 ILE A 9 4.111 -16.171 0.953 1.00 50.42 H new ATOM 0 HG23 ILE A 9 3.198 -17.686 1.152 1.00 50.42 H new ATOM 0 HD11 ILE A 9 0.438 -17.996 -1.880 1.00 72.45 H new ATOM 0 HD12 ILE A 9 1.498 -16.596 -2.174 1.00 72.45 H new ATOM 0 HD13 ILE A 9 2.148 -18.056 -1.391 1.00 72.45 H new ATOM 126 N LYS A 10 2.241 -13.253 2.153 1.00 24.45 N ATOM 127 CA LYS A 10 3.078 -12.133 2.568 1.00 53.51 C ATOM 128 C LYS A 10 3.415 -12.225 4.052 1.00 24.33 C ATOM 129 O LYS A 10 4.543 -11.945 4.460 1.00 33.51 O ATOM 130 CB LYS A 10 2.371 -10.807 2.277 1.00 74.03 C ATOM 131 CG LYS A 10 3.323 -9.637 2.101 1.00 54.41 C ATOM 132 CD LYS A 10 3.767 -9.074 3.441 1.00 65.13 C ATOM 133 CE LYS A 10 4.349 -7.677 3.294 1.00 45.24 C ATOM 134 NZ LYS A 10 3.295 -6.627 3.360 1.00 3.11 N ATOM 0 H LYS A 10 1.391 -12.984 1.658 1.00 24.45 H new ATOM 0 HA LYS A 10 4.007 -12.176 1.999 1.00 53.51 H new ATOM 0 HB2 LYS A 10 1.771 -10.915 1.374 1.00 74.03 H new ATOM 0 HB3 LYS A 10 1.683 -10.585 3.092 1.00 74.03 H new ATOM 0 HG2 LYS A 10 4.196 -9.959 1.533 1.00 54.41 H new ATOM 0 HG3 LYS A 10 2.836 -8.854 1.520 1.00 54.41 H new ATOM 0 HD2 LYS A 10 2.918 -9.045 4.124 1.00 65.13 H new ATOM 0 HD3 LYS A 10 4.512 -9.734 3.885 1.00 65.13 H new ATOM 0 HE2 LYS A 10 5.083 -7.505 4.081 1.00 45.24 H new ATOM 0 HE3 LYS A 10 4.877 -7.602 2.344 1.00 45.24 H new ATOM 0 HZ1 LYS A 10 3.732 -5.689 3.256 1.00 3.11 H new ATOM 0 HZ2 LYS A 10 2.608 -6.776 2.593 1.00 3.11 H new ATOM 0 HZ3 LYS A 10 2.807 -6.682 4.277 1.00 3.11 H new ATOM 148 N ALA A 11 2.433 -12.622 4.854 1.00 50.21 N ATOM 149 CA ALA A 11 2.628 -12.755 6.292 1.00 34.33 C ATOM 150 C ALA A 11 3.537 -13.936 6.616 1.00 4.45 C ATOM 151 O ALA A 11 4.273 -13.911 7.603 1.00 53.20 O ATOM 152 CB ALA A 11 1.286 -12.912 6.995 1.00 43.42 C ATOM 0 H ALA A 11 1.494 -12.857 4.532 1.00 50.21 H new ATOM 0 HA ALA A 11 3.112 -11.847 6.653 1.00 34.33 H new ATOM 0 HB1 ALA A 11 1.447 -13.010 8.069 1.00 43.42 H new ATOM 0 HB2 ALA A 11 0.668 -12.036 6.799 1.00 43.42 H new ATOM 0 HB3 ALA A 11 0.781 -13.803 6.621 1.00 43.42 H new ATOM 158 N GLN A 12 3.481 -14.966 5.780 1.00 24.33 N ATOM 159 CA GLN A 12 4.299 -16.157 5.979 1.00 2.14 C ATOM 160 C GLN A 12 5.748 -15.894 5.582 1.00 42.14 C ATOM 161 O GLN A 12 6.678 -16.273 6.295 1.00 75.20 O ATOM 162 CB GLN A 12 3.740 -17.328 5.171 1.00 54.01 C ATOM 163 CG GLN A 12 2.571 -18.029 5.843 1.00 32.44 C ATOM 164 CD GLN A 12 2.990 -19.289 6.575 1.00 15.14 C ATOM 165 OE1 GLN A 12 2.835 -20.399 6.064 1.00 41.43 O ATOM 166 NE2 GLN A 12 3.523 -19.124 7.781 1.00 62.23 N ATOM 0 H GLN A 12 2.878 -15.001 4.958 1.00 24.33 H new ATOM 0 HA GLN A 12 4.272 -16.412 7.038 1.00 2.14 H new ATOM 0 HB2 GLN A 12 3.422 -16.965 4.194 1.00 54.01 H new ATOM 0 HB3 GLN A 12 4.536 -18.052 4.998 1.00 54.01 H new ATOM 0 HG2 GLN A 12 2.098 -17.345 6.547 1.00 32.44 H new ATOM 0 HG3 GLN A 12 1.823 -18.281 5.092 1.00 32.44 H new ATOM 0 HE21 GLN A 12 3.633 -18.186 8.166 1.00 62.23 H new ATOM 0 HE22 GLN A 12 3.822 -19.935 8.322 1.00 62.23 H new ATOM 175 N VAL A 13 5.934 -15.244 4.438 1.00 55.30 N ATOM 176 CA VAL A 13 7.269 -14.929 3.945 1.00 61.15 C ATOM 177 C VAL A 13 7.980 -13.946 4.868 1.00 35.34 C ATOM 178 O VAL A 13 9.169 -14.090 5.147 1.00 43.12 O ATOM 179 CB VAL A 13 7.218 -14.337 2.524 1.00 14.51 C ATOM 180 CG1 VAL A 13 6.732 -15.378 1.527 1.00 15.43 C ATOM 181 CG2 VAL A 13 6.330 -13.101 2.494 1.00 71.30 C ATOM 0 H VAL A 13 5.176 -14.925 3.835 1.00 55.30 H new ATOM 0 HA VAL A 13 7.825 -15.866 3.921 1.00 61.15 H new ATOM 0 HB VAL A 13 8.227 -14.039 2.237 1.00 14.51 H new ATOM 0 HG11 VAL A 13 6.703 -14.940 0.529 1.00 15.43 H new ATOM 0 HG12 VAL A 13 7.412 -16.230 1.530 1.00 15.43 H new ATOM 0 HG13 VAL A 13 5.732 -15.711 1.807 1.00 15.43 H new ATOM 0 HG21 VAL A 13 6.305 -12.695 1.483 1.00 71.30 H new ATOM 0 HG22 VAL A 13 5.320 -13.371 2.802 1.00 71.30 H new ATOM 0 HG23 VAL A 13 6.728 -12.350 3.176 1.00 71.30 H new ATOM 191 N MET A 14 7.241 -12.948 5.341 1.00 13.51 N ATOM 192 CA MET A 14 7.799 -11.942 6.237 1.00 42.15 C ATOM 193 C MET A 14 8.040 -12.523 7.626 1.00 13.12 C ATOM 194 O MET A 14 9.035 -12.206 8.277 1.00 73.12 O ATOM 195 CB MET A 14 6.863 -10.736 6.330 1.00 42.43 C ATOM 196 CG MET A 14 5.533 -11.049 6.997 1.00 3.14 C ATOM 197 SD MET A 14 5.530 -10.659 8.757 1.00 42.00 S ATOM 198 CE MET A 14 3.954 -11.349 9.255 1.00 52.44 C ATOM 0 H MET A 14 6.255 -12.814 5.119 1.00 13.51 H new ATOM 0 HA MET A 14 8.756 -11.619 5.828 1.00 42.15 H new ATOM 0 HB2 MET A 14 7.361 -9.942 6.886 1.00 42.43 H new ATOM 0 HB3 MET A 14 6.676 -10.353 5.327 1.00 42.43 H new ATOM 0 HG2 MET A 14 4.742 -10.486 6.503 1.00 3.14 H new ATOM 0 HG3 MET A 14 5.303 -12.106 6.863 1.00 3.14 H new ATOM 0 HE1 MET A 14 3.782 -11.140 10.311 1.00 52.44 H new ATOM 0 HE2 MET A 14 3.157 -10.901 8.662 1.00 52.44 H new ATOM 0 HE3 MET A 14 3.962 -12.427 9.096 1.00 52.44 H new ATOM 208 N GLU A 15 7.122 -13.374 8.073 1.00 31.13 N ATOM 209 CA GLU A 15 7.235 -13.999 9.386 1.00 3.51 C ATOM 210 C GLU A 15 8.424 -14.955 9.434 1.00 40.41 C ATOM 211 O GLU A 15 9.110 -15.058 10.450 1.00 50.11 O ATOM 212 CB GLU A 15 5.948 -14.750 9.731 1.00 51.42 C ATOM 213 CG GLU A 15 6.009 -15.485 11.059 1.00 64.33 C ATOM 214 CD GLU A 15 4.765 -16.307 11.330 1.00 14.11 C ATOM 215 OE1 GLU A 15 3.662 -15.720 11.363 1.00 72.54 O ATOM 216 OE2 GLU A 15 4.893 -17.537 11.508 1.00 12.44 O ATOM 0 H GLU A 15 6.292 -13.646 7.546 1.00 31.13 H new ATOM 0 HA GLU A 15 7.395 -13.211 10.122 1.00 3.51 H new ATOM 0 HB2 GLU A 15 5.120 -14.042 9.755 1.00 51.42 H new ATOM 0 HB3 GLU A 15 5.732 -15.466 8.938 1.00 51.42 H new ATOM 0 HG2 GLU A 15 6.881 -16.139 11.068 1.00 64.33 H new ATOM 0 HG3 GLU A 15 6.145 -14.762 11.864 1.00 64.33 H new ATOM 223 N SER A 16 8.660 -15.651 8.326 1.00 34.34 N ATOM 224 CA SER A 16 9.761 -16.602 8.242 1.00 4.21 C ATOM 225 C SER A 16 11.097 -15.876 8.109 1.00 25.30 C ATOM 226 O SER A 16 12.061 -16.191 8.808 1.00 71.45 O ATOM 227 CB SER A 16 9.560 -17.544 7.054 1.00 21.44 C ATOM 228 OG SER A 16 10.447 -18.648 7.123 1.00 73.30 O ATOM 0 H SER A 16 8.103 -15.574 7.475 1.00 34.34 H new ATOM 0 HA SER A 16 9.774 -17.187 9.162 1.00 4.21 H new ATOM 0 HB2 SER A 16 8.530 -17.901 7.039 1.00 21.44 H new ATOM 0 HB3 SER A 16 9.722 -17.000 6.123 1.00 21.44 H new ATOM 0 HG SER A 16 9.931 -19.480 7.165 1.00 73.30 H new ATOM 234 N VAL A 17 11.146 -14.902 7.206 1.00 40.23 N ATOM 235 CA VAL A 17 12.362 -14.128 6.981 1.00 71.33 C ATOM 236 C VAL A 17 12.843 -13.472 8.270 1.00 73.43 C ATOM 237 O VAL A 17 14.006 -13.608 8.651 1.00 75.50 O ATOM 238 CB VAL A 17 12.145 -13.040 5.913 1.00 54.13 C ATOM 239 CG1 VAL A 17 13.316 -12.070 5.893 1.00 61.33 C ATOM 240 CG2 VAL A 17 11.940 -13.671 4.544 1.00 64.43 C ATOM 0 H VAL A 17 10.358 -14.630 6.618 1.00 40.23 H new ATOM 0 HA VAL A 17 13.121 -14.826 6.628 1.00 71.33 H new ATOM 0 HB VAL A 17 11.245 -12.480 6.167 1.00 54.13 H new ATOM 0 HG11 VAL A 17 13.145 -11.308 5.132 1.00 61.33 H new ATOM 0 HG12 VAL A 17 13.410 -11.593 6.869 1.00 61.33 H new ATOM 0 HG13 VAL A 17 14.234 -12.612 5.664 1.00 61.33 H new ATOM 0 HG21 VAL A 17 11.788 -12.888 3.801 1.00 64.43 H new ATOM 0 HG22 VAL A 17 12.820 -14.257 4.278 1.00 64.43 H new ATOM 0 HG23 VAL A 17 11.065 -14.321 4.570 1.00 64.43 H new ATOM 250 N ILE A 18 11.940 -12.760 8.936 1.00 20.20 N ATOM 251 CA ILE A 18 12.272 -12.084 10.184 1.00 4.21 C ATOM 252 C ILE A 18 12.986 -13.025 11.147 1.00 21.34 C ATOM 253 O ILE A 18 14.031 -12.688 11.703 1.00 62.42 O ATOM 254 CB ILE A 18 11.015 -11.521 10.872 1.00 54.43 C ATOM 255 CG1 ILE A 18 10.416 -10.385 10.039 1.00 21.40 C ATOM 256 CG2 ILE A 18 11.350 -11.037 12.274 1.00 35.43 C ATOM 257 CD1 ILE A 18 8.948 -10.147 10.309 1.00 14.31 C ATOM 0 H ILE A 18 10.974 -12.636 8.633 1.00 20.20 H new ATOM 0 HA ILE A 18 12.936 -11.259 9.927 1.00 4.21 H new ATOM 0 HB ILE A 18 10.275 -12.317 10.951 1.00 54.43 H new ATOM 0 HG12 ILE A 18 10.968 -9.467 10.241 1.00 21.40 H new ATOM 0 HG13 ILE A 18 10.551 -10.611 8.981 1.00 21.40 H new ATOM 0 HG21 ILE A 18 10.451 -10.642 12.747 1.00 35.43 H new ATOM 0 HG22 ILE A 18 11.735 -11.869 12.864 1.00 35.43 H new ATOM 0 HG23 ILE A 18 12.105 -10.253 12.217 1.00 35.43 H new ATOM 0 HD11 ILE A 18 8.591 -9.328 9.684 1.00 14.31 H new ATOM 0 HD12 ILE A 18 8.385 -11.051 10.079 1.00 14.31 H new ATOM 0 HD13 ILE A 18 8.808 -9.889 11.359 1.00 14.31 H new ATOM 269 N GLY A 19 12.415 -14.210 11.339 1.00 20.44 N ATOM 270 CA GLY A 19 13.012 -15.185 12.235 1.00 33.42 C ATOM 271 C GLY A 19 14.228 -15.858 11.632 1.00 43.03 C ATOM 272 O GLY A 19 15.086 -16.367 12.354 1.00 24.14 O ATOM 0 H GLY A 19 11.550 -14.513 10.891 1.00 20.44 H new ATOM 0 HA2 GLY A 19 13.297 -14.693 13.165 1.00 33.42 H new ATOM 0 HA3 GLY A 19 12.270 -15.942 12.489 1.00 33.42 H new ATOM 276 N CYS A 20 14.303 -15.864 10.305 1.00 11.52 N ATOM 277 CA CYS A 20 15.423 -16.482 9.605 1.00 1.22 C ATOM 278 C CYS A 20 16.725 -15.749 9.909 1.00 65.11 C ATOM 279 O CYS A 20 17.729 -16.367 10.266 1.00 25.20 O ATOM 280 CB CYS A 20 15.167 -16.489 8.097 1.00 12.21 C ATOM 281 SG CYS A 20 15.980 -17.842 7.217 1.00 23.42 S ATOM 0 H CYS A 20 13.601 -15.448 9.693 1.00 11.52 H new ATOM 0 HA CYS A 20 15.516 -17.510 9.955 1.00 1.22 H new ATOM 0 HB2 CYS A 20 14.093 -16.550 7.922 1.00 12.21 H new ATOM 0 HB3 CYS A 20 15.505 -15.542 7.677 1.00 12.21 H new ATOM 0 HG CYS A 20 15.272 -18.171 6.177 1.00 23.42 H new ATOM 287 N LEU A 21 16.704 -14.429 9.763 1.00 53.41 N ATOM 288 CA LEU A 21 17.884 -13.611 10.020 1.00 51.22 C ATOM 289 C LEU A 21 17.750 -12.861 11.341 1.00 15.30 C ATOM 290 O LEU A 21 18.609 -12.056 11.701 1.00 53.22 O ATOM 291 CB LEU A 21 18.099 -12.618 8.876 1.00 25.12 C ATOM 292 CG LEU A 21 16.866 -12.281 8.039 1.00 53.32 C ATOM 293 CD1 LEU A 21 17.008 -10.905 7.407 1.00 4.41 C ATOM 294 CD2 LEU A 21 16.642 -13.340 6.969 1.00 52.43 C ATOM 0 H LEU A 21 15.882 -13.902 9.468 1.00 53.41 H new ATOM 0 HA LEU A 21 18.747 -14.273 10.086 1.00 51.22 H new ATOM 0 HB2 LEU A 21 18.493 -11.692 9.295 1.00 25.12 H new ATOM 0 HB3 LEU A 21 18.865 -13.019 8.213 1.00 25.12 H new ATOM 0 HG LEU A 21 15.997 -12.268 8.697 1.00 53.32 H new ATOM 0 HD11 LEU A 21 16.120 -10.683 6.815 1.00 4.41 H new ATOM 0 HD12 LEU A 21 17.119 -10.155 8.190 1.00 4.41 H new ATOM 0 HD13 LEU A 21 17.887 -10.890 6.763 1.00 4.41 H new ATOM 0 HD21 LEU A 21 15.760 -13.084 6.383 1.00 52.43 H new ATOM 0 HD22 LEU A 21 17.512 -13.386 6.314 1.00 52.43 H new ATOM 0 HD23 LEU A 21 16.493 -14.310 7.443 1.00 52.43 H new ATOM 306 N LYS A 22 16.666 -13.132 12.061 1.00 1.40 N ATOM 307 CA LYS A 22 16.419 -12.485 13.345 1.00 75.54 C ATOM 308 C LYS A 22 16.584 -10.974 13.234 1.00 52.33 C ATOM 309 O LYS A 22 17.669 -10.438 13.466 1.00 32.45 O ATOM 310 CB LYS A 22 17.372 -13.037 14.408 1.00 53.14 C ATOM 311 CG LYS A 22 17.426 -14.554 14.448 1.00 11.31 C ATOM 312 CD LYS A 22 16.099 -15.147 14.891 1.00 24.50 C ATOM 313 CE LYS A 22 15.975 -15.165 16.406 1.00 14.00 C ATOM 314 NZ LYS A 22 14.991 -16.182 16.871 1.00 54.14 N ATOM 0 H LYS A 22 15.945 -13.795 11.777 1.00 1.40 H new ATOM 0 HA LYS A 22 15.392 -12.699 13.640 1.00 75.54 H new ATOM 0 HB2 LYS A 22 18.374 -12.651 14.221 1.00 53.14 H new ATOM 0 HB3 LYS A 22 17.065 -12.667 15.386 1.00 53.14 H new ATOM 0 HG2 LYS A 22 17.685 -14.936 13.461 1.00 11.31 H new ATOM 0 HG3 LYS A 22 18.214 -14.873 15.130 1.00 11.31 H new ATOM 0 HD2 LYS A 22 15.280 -14.568 14.465 1.00 24.50 H new ATOM 0 HD3 LYS A 22 16.006 -16.162 14.505 1.00 24.50 H new ATOM 0 HE2 LYS A 22 16.949 -15.374 16.847 1.00 14.00 H new ATOM 0 HE3 LYS A 22 15.671 -14.179 16.757 1.00 14.00 H new ATOM 0 HZ1 LYS A 22 14.936 -16.162 17.909 1.00 54.14 H new ATOM 0 HZ2 LYS A 22 14.055 -15.968 16.471 1.00 54.14 H new ATOM 0 HZ3 LYS A 22 15.294 -17.126 16.558 1.00 54.14 H new ATOM 328 N LEU A 23 15.502 -10.289 12.878 1.00 63.12 N ATOM 329 CA LEU A 23 15.527 -8.838 12.738 1.00 10.22 C ATOM 330 C LEU A 23 15.188 -8.156 14.060 1.00 71.20 C ATOM 331 O LEU A 23 14.437 -8.696 14.872 1.00 42.11 O ATOM 332 CB LEU A 23 14.541 -8.393 11.655 1.00 24.31 C ATOM 333 CG LEU A 23 15.022 -8.538 10.211 1.00 34.40 C ATOM 334 CD1 LEU A 23 16.317 -7.769 9.999 1.00 62.24 C ATOM 335 CD2 LEU A 23 15.207 -10.006 9.855 1.00 71.34 C ATOM 0 H LEU A 23 14.597 -10.716 12.681 1.00 63.12 H new ATOM 0 HA LEU A 23 16.535 -8.544 12.447 1.00 10.22 H new ATOM 0 HB2 LEU A 23 13.622 -8.967 11.770 1.00 24.31 H new ATOM 0 HB3 LEU A 23 14.288 -7.347 11.830 1.00 24.31 H new ATOM 0 HG LEU A 23 14.262 -8.118 9.552 1.00 34.40 H new ATOM 0 HD11 LEU A 23 16.644 -7.884 8.965 1.00 62.24 H new ATOM 0 HD12 LEU A 23 16.152 -6.713 10.212 1.00 62.24 H new ATOM 0 HD13 LEU A 23 17.085 -8.158 10.668 1.00 62.24 H new ATOM 0 HD21 LEU A 23 15.550 -10.090 8.824 1.00 71.34 H new ATOM 0 HD22 LEU A 23 15.947 -10.451 10.520 1.00 71.34 H new ATOM 0 HD23 LEU A 23 14.257 -10.530 9.966 1.00 71.34 H new ATOM 347 N ASN A 24 15.744 -6.968 14.267 1.00 45.20 N ATOM 348 CA ASN A 24 15.499 -6.212 15.491 1.00 65.04 C ATOM 349 C ASN A 24 14.258 -5.335 15.349 1.00 22.23 C ATOM 350 O ASN A 24 13.769 -5.108 14.243 1.00 61.52 O ATOM 351 CB ASN A 24 16.713 -5.345 15.831 1.00 25.14 C ATOM 352 CG ASN A 24 16.600 -4.704 17.200 1.00 24.34 C ATOM 353 OD1 ASN A 24 16.297 -5.373 18.189 1.00 75.32 O ATOM 354 ND2 ASN A 24 16.845 -3.401 17.265 1.00 12.31 N ATOM 0 H ASN A 24 16.367 -6.507 13.604 1.00 45.20 H new ATOM 0 HA ASN A 24 15.330 -6.923 16.300 1.00 65.04 H new ATOM 0 HB2 ASN A 24 17.615 -5.956 15.792 1.00 25.14 H new ATOM 0 HB3 ASN A 24 16.823 -4.566 15.076 1.00 25.14 H new ATOM 0 HD21 ASN A 24 16.786 -2.915 18.160 1.00 12.31 H new ATOM 0 HD22 ASN A 24 17.093 -2.886 16.420 1.00 12.31 H new ATOM 361 N ASP A 25 13.755 -4.846 16.477 1.00 44.23 N ATOM 362 CA ASP A 25 12.573 -3.992 16.479 1.00 34.40 C ATOM 363 C ASP A 25 12.719 -2.857 15.470 1.00 23.34 C ATOM 364 O ASP A 25 11.755 -2.477 14.807 1.00 45.40 O ATOM 365 CB ASP A 25 12.333 -3.421 17.877 1.00 1.51 C ATOM 366 CG ASP A 25 12.476 -4.468 18.964 1.00 64.32 C ATOM 367 OD1 ASP A 25 12.100 -5.633 18.717 1.00 20.14 O ATOM 368 OD2 ASP A 25 12.963 -4.123 20.061 1.00 24.33 O ATOM 0 H ASP A 25 14.147 -5.026 17.401 1.00 44.23 H new ATOM 0 HA ASP A 25 11.716 -4.600 16.191 1.00 34.40 H new ATOM 0 HB2 ASP A 25 13.039 -2.612 18.062 1.00 1.51 H new ATOM 0 HB3 ASP A 25 11.333 -2.989 17.923 1.00 1.51 H new ATOM 373 N GLU A 26 13.931 -2.321 15.361 1.00 23.44 N ATOM 374 CA GLU A 26 14.202 -1.229 14.435 1.00 51.55 C ATOM 375 C GLU A 26 14.195 -1.725 12.992 1.00 41.22 C ATOM 376 O GLU A 26 13.745 -1.023 12.087 1.00 64.53 O ATOM 377 CB GLU A 26 15.550 -0.580 14.756 1.00 23.33 C ATOM 378 CG GLU A 26 15.486 0.429 15.890 1.00 11.13 C ATOM 379 CD GLU A 26 14.934 1.770 15.446 1.00 33.12 C ATOM 380 OE1 GLU A 26 14.866 2.007 14.222 1.00 10.11 O ATOM 381 OE2 GLU A 26 14.571 2.582 16.322 1.00 53.41 O ATOM 0 H GLU A 26 14.740 -2.626 15.903 1.00 23.44 H new ATOM 0 HA GLU A 26 13.413 -0.486 14.550 1.00 51.55 H new ATOM 0 HB2 GLU A 26 16.266 -1.360 15.015 1.00 23.33 H new ATOM 0 HB3 GLU A 26 15.927 -0.085 13.861 1.00 23.33 H new ATOM 0 HG2 GLU A 26 14.863 0.031 16.691 1.00 11.13 H new ATOM 0 HG3 GLU A 26 16.485 0.570 16.303 1.00 11.13 H new ATOM 388 N GLN A 27 14.696 -2.939 12.788 1.00 43.14 N ATOM 389 CA GLN A 27 14.749 -3.528 11.455 1.00 70.43 C ATOM 390 C GLN A 27 13.345 -3.785 10.918 1.00 74.33 C ATOM 391 O GLN A 27 13.109 -3.722 9.711 1.00 70.11 O ATOM 392 CB GLN A 27 15.544 -4.835 11.483 1.00 60.33 C ATOM 393 CG GLN A 27 17.047 -4.635 11.360 1.00 35.01 C ATOM 394 CD GLN A 27 17.539 -3.426 12.130 1.00 64.11 C ATOM 395 OE1 GLN A 27 17.354 -2.286 11.703 1.00 33.13 O ATOM 396 NE2 GLN A 27 18.171 -3.668 13.273 1.00 31.11 N ATOM 0 H GLN A 27 15.071 -3.533 13.528 1.00 43.14 H new ATOM 0 HA GLN A 27 15.249 -2.821 10.792 1.00 70.43 H new ATOM 0 HB2 GLN A 27 15.331 -5.361 12.414 1.00 60.33 H new ATOM 0 HB3 GLN A 27 15.203 -5.476 10.670 1.00 60.33 H new ATOM 0 HG2 GLN A 27 17.559 -5.526 11.724 1.00 35.01 H new ATOM 0 HG3 GLN A 27 17.310 -4.523 10.308 1.00 35.01 H new ATOM 0 HE21 GLN A 27 18.303 -4.629 13.590 1.00 31.11 H new ATOM 0 HE22 GLN A 27 18.525 -2.893 13.834 1.00 31.11 H new ATOM 405 N LYS A 28 12.416 -4.076 11.821 1.00 33.40 N ATOM 406 CA LYS A 28 11.034 -4.343 11.439 1.00 0.31 C ATOM 407 C LYS A 28 10.313 -3.050 11.070 1.00 73.13 C ATOM 408 O LYS A 28 9.317 -3.070 10.347 1.00 33.23 O ATOM 409 CB LYS A 28 10.294 -5.045 12.580 1.00 10.45 C ATOM 410 CG LYS A 28 10.548 -6.541 12.641 1.00 2.22 C ATOM 411 CD LYS A 28 9.807 -7.186 13.800 1.00 53.25 C ATOM 412 CE LYS A 28 8.306 -7.215 13.555 1.00 14.30 C ATOM 413 NZ LYS A 28 7.578 -7.908 14.653 1.00 1.02 N ATOM 0 H LYS A 28 12.595 -4.133 12.824 1.00 33.40 H new ATOM 0 HA LYS A 28 11.044 -4.995 10.566 1.00 0.31 H new ATOM 0 HB2 LYS A 28 10.593 -4.595 13.527 1.00 10.45 H new ATOM 0 HB3 LYS A 28 9.224 -4.871 12.469 1.00 10.45 H new ATOM 0 HG2 LYS A 28 10.234 -7.003 11.705 1.00 2.22 H new ATOM 0 HG3 LYS A 28 11.617 -6.725 12.744 1.00 2.22 H new ATOM 0 HD2 LYS A 28 10.173 -8.202 13.946 1.00 53.25 H new ATOM 0 HD3 LYS A 28 10.016 -6.637 14.718 1.00 53.25 H new ATOM 0 HE2 LYS A 28 7.934 -6.195 13.460 1.00 14.30 H new ATOM 0 HE3 LYS A 28 8.102 -7.718 12.610 1.00 14.30 H new ATOM 0 HZ1 LYS A 28 6.558 -7.906 14.449 1.00 1.02 H new ATOM 0 HZ2 LYS A 28 7.915 -8.889 14.728 1.00 1.02 H new ATOM 0 HZ3 LYS A 28 7.752 -7.413 15.551 1.00 1.02 H new ATOM 427 N GLN A 29 10.823 -1.930 11.571 1.00 54.00 N ATOM 428 CA GLN A 29 10.227 -0.628 11.292 1.00 31.22 C ATOM 429 C GLN A 29 10.812 -0.023 10.021 1.00 50.15 C ATOM 430 O GLN A 29 10.132 0.710 9.301 1.00 72.44 O ATOM 431 CB GLN A 29 10.447 0.320 12.472 1.00 30.00 C ATOM 432 CG GLN A 29 9.763 -0.131 13.752 1.00 61.43 C ATOM 433 CD GLN A 29 8.360 0.424 13.892 1.00 52.42 C ATOM 434 OE1 GLN A 29 7.976 1.358 13.186 1.00 3.31 O ATOM 435 NE2 GLN A 29 7.585 -0.146 14.807 1.00 52.22 N ATOM 0 H GLN A 29 11.647 -1.897 12.172 1.00 54.00 H new ATOM 0 HA GLN A 29 9.156 -0.770 11.145 1.00 31.22 H new ATOM 0 HB2 GLN A 29 11.517 0.415 12.656 1.00 30.00 H new ATOM 0 HB3 GLN A 29 10.081 1.311 12.204 1.00 30.00 H new ATOM 0 HG2 GLN A 29 9.722 -1.220 13.773 1.00 61.43 H new ATOM 0 HG3 GLN A 29 10.360 0.182 14.608 1.00 61.43 H new ATOM 0 HE21 GLN A 29 7.943 -0.917 15.370 1.00 52.22 H new ATOM 0 HE22 GLN A 29 6.631 0.187 14.947 1.00 52.22 H new ATOM 444 N ILE A 30 12.075 -0.331 9.751 1.00 2.02 N ATOM 445 CA ILE A 30 12.752 0.182 8.566 1.00 13.22 C ATOM 446 C ILE A 30 12.683 -0.818 7.417 1.00 11.13 C ATOM 447 O ILE A 30 13.511 -0.791 6.506 1.00 22.43 O ATOM 448 CB ILE A 30 14.227 0.511 8.859 1.00 43.52 C ATOM 449 CG1 ILE A 30 14.982 -0.753 9.271 1.00 24.21 C ATOM 450 CG2 ILE A 30 14.329 1.573 9.943 1.00 14.42 C ATOM 451 CD1 ILE A 30 15.828 -1.341 8.164 1.00 63.02 C ATOM 0 H ILE A 30 12.652 -0.934 10.337 1.00 2.02 H new ATOM 0 HA ILE A 30 12.235 1.097 8.278 1.00 13.22 H new ATOM 0 HB ILE A 30 14.683 0.904 7.950 1.00 43.52 H new ATOM 0 HG12 ILE A 30 15.622 -0.522 10.123 1.00 24.21 H new ATOM 0 HG13 ILE A 30 14.264 -1.502 9.605 1.00 24.21 H new ATOM 0 HG21 ILE A 30 15.378 1.794 10.138 1.00 14.42 H new ATOM 0 HG22 ILE A 30 13.822 2.480 9.613 1.00 14.42 H new ATOM 0 HG23 ILE A 30 13.859 1.207 10.856 1.00 14.42 H new ATOM 0 HD11 ILE A 30 16.334 -2.235 8.529 1.00 63.02 H new ATOM 0 HD12 ILE A 30 15.191 -1.604 7.320 1.00 63.02 H new ATOM 0 HD13 ILE A 30 16.570 -0.609 7.845 1.00 63.02 H new ATOM 463 N LEU A 31 11.689 -1.698 7.466 1.00 64.14 N ATOM 464 CA LEU A 31 11.510 -2.707 6.427 1.00 21.12 C ATOM 465 C LEU A 31 10.432 -2.284 5.435 1.00 14.43 C ATOM 466 O LEU A 31 9.526 -1.522 5.776 1.00 1.54 O ATOM 467 CB LEU A 31 11.142 -4.053 7.054 1.00 41.11 C ATOM 468 CG LEU A 31 11.860 -5.277 6.485 1.00 20.21 C ATOM 469 CD1 LEU A 31 12.110 -6.305 7.578 1.00 40.33 C ATOM 470 CD2 LEU A 31 11.052 -5.890 5.350 1.00 12.21 C ATOM 0 H LEU A 31 10.995 -1.734 8.213 1.00 64.14 H new ATOM 0 HA LEU A 31 12.452 -2.809 5.889 1.00 21.12 H new ATOM 0 HB2 LEU A 31 11.347 -4.001 8.123 1.00 41.11 H new ATOM 0 HB3 LEU A 31 10.068 -4.202 6.942 1.00 41.11 H new ATOM 0 HG LEU A 31 12.823 -4.957 6.088 1.00 20.21 H new ATOM 0 HD11 LEU A 31 12.622 -7.169 7.155 1.00 40.33 H new ATOM 0 HD12 LEU A 31 12.729 -5.863 8.358 1.00 40.33 H new ATOM 0 HD13 LEU A 31 11.158 -6.621 8.005 1.00 40.33 H new ATOM 0 HD21 LEU A 31 11.578 -6.760 4.957 1.00 12.21 H new ATOM 0 HD22 LEU A 31 10.074 -6.195 5.723 1.00 12.21 H new ATOM 0 HD23 LEU A 31 10.924 -5.154 4.556 1.00 12.21 H new ATOM 482 N SER A 32 10.534 -2.783 4.208 1.00 11.55 N ATOM 483 CA SER A 32 9.568 -2.454 3.167 1.00 52.24 C ATOM 484 C SER A 32 9.533 -3.541 2.096 1.00 35.45 C ATOM 485 O SER A 32 10.526 -4.225 1.857 1.00 30.51 O ATOM 486 CB SER A 32 9.912 -1.107 2.529 1.00 52.12 C ATOM 487 OG SER A 32 9.503 -1.065 1.173 1.00 54.11 O ATOM 0 H SER A 32 11.276 -3.417 3.910 1.00 11.55 H new ATOM 0 HA SER A 32 8.583 -2.389 3.628 1.00 52.24 H new ATOM 0 HB2 SER A 32 9.426 -0.304 3.083 1.00 52.12 H new ATOM 0 HB3 SER A 32 10.986 -0.934 2.593 1.00 52.12 H new ATOM 0 HG SER A 32 9.733 -0.193 0.789 1.00 54.11 H new ATOM 493 N GLY A 33 8.378 -3.694 1.455 1.00 1.31 N ATOM 494 CA GLY A 33 8.233 -4.699 0.418 1.00 55.30 C ATOM 495 C GLY A 33 9.191 -4.484 -0.737 1.00 2.44 C ATOM 496 O GLY A 33 9.674 -5.442 -1.340 1.00 22.34 O ATOM 0 H GLY A 33 7.541 -3.140 1.635 1.00 1.31 H new ATOM 0 HA2 GLY A 33 8.402 -5.686 0.847 1.00 55.30 H new ATOM 0 HA3 GLY A 33 7.209 -4.685 0.044 1.00 55.30 H new ATOM 500 N THR A 34 9.467 -3.221 -1.047 1.00 51.35 N ATOM 501 CA THR A 34 10.371 -2.882 -2.139 1.00 3.10 C ATOM 502 C THR A 34 11.785 -2.637 -1.625 1.00 64.01 C ATOM 503 O THR A 34 12.483 -1.739 -2.098 1.00 73.14 O ATOM 504 CB THR A 34 9.890 -1.633 -2.900 1.00 42.35 C ATOM 505 OG1 THR A 34 10.044 -0.470 -2.080 1.00 2.24 O ATOM 506 CG2 THR A 34 8.434 -1.779 -3.314 1.00 32.33 C ATOM 0 H THR A 34 9.077 -2.416 -0.557 1.00 51.35 H new ATOM 0 HA THR A 34 10.377 -3.733 -2.820 1.00 3.10 H new ATOM 0 HB THR A 34 10.498 -1.526 -3.799 1.00 42.35 H new ATOM 0 HG1 THR A 34 9.936 -0.717 -1.138 1.00 2.24 H new ATOM 0 HG21 THR A 34 8.117 -0.884 -3.850 1.00 32.33 H new ATOM 0 HG22 THR A 34 8.326 -2.648 -3.963 1.00 32.33 H new ATOM 0 HG23 THR A 34 7.815 -1.909 -2.427 1.00 32.33 H new ATOM 514 N THR A 35 12.205 -3.441 -0.653 1.00 44.01 N ATOM 515 CA THR A 35 13.536 -3.311 -0.074 1.00 42.43 C ATOM 516 C THR A 35 14.267 -4.649 -0.070 1.00 0.31 C ATOM 517 O THR A 35 13.938 -5.543 0.708 1.00 42.14 O ATOM 518 CB THR A 35 13.472 -2.769 1.366 1.00 23.32 C ATOM 519 OG1 THR A 35 12.870 -1.470 1.375 1.00 14.23 O ATOM 520 CG2 THR A 35 14.863 -2.693 1.978 1.00 52.31 C ATOM 0 H THR A 35 11.642 -4.190 -0.250 1.00 44.01 H new ATOM 0 HA THR A 35 14.083 -2.603 -0.696 1.00 42.43 H new ATOM 0 HB THR A 35 12.867 -3.453 1.961 1.00 23.32 H new ATOM 0 HG1 THR A 35 13.097 -1.010 2.210 1.00 14.23 H new ATOM 0 HG21 THR A 35 14.792 -2.307 2.995 1.00 52.31 H new ATOM 0 HG22 THR A 35 15.307 -3.688 1.997 1.00 52.31 H new ATOM 0 HG23 THR A 35 15.488 -2.029 1.381 1.00 52.31 H new ATOM 528 N ASN A 36 15.261 -4.777 -0.943 1.00 22.34 N ATOM 529 CA ASN A 36 16.039 -6.007 -1.039 1.00 3.42 C ATOM 530 C ASN A 36 16.605 -6.400 0.322 1.00 24.22 C ATOM 531 O ASN A 36 17.561 -5.795 0.809 1.00 54.35 O ATOM 532 CB ASN A 36 17.177 -5.837 -2.047 1.00 23.01 C ATOM 533 CG ASN A 36 17.661 -7.163 -2.602 1.00 71.14 C ATOM 534 OD1 ASN A 36 17.255 -8.228 -2.137 1.00 42.21 O ATOM 535 ND2 ASN A 36 18.531 -7.103 -3.604 1.00 21.54 N ATOM 0 H ASN A 36 15.547 -4.045 -1.593 1.00 22.34 H new ATOM 0 HA ASN A 36 15.376 -6.802 -1.380 1.00 3.42 H new ATOM 0 HB2 ASN A 36 16.840 -5.204 -2.868 1.00 23.01 H new ATOM 0 HB3 ASN A 36 18.009 -5.321 -1.568 1.00 23.01 H new ATOM 0 HD21 ASN A 36 18.890 -7.962 -4.020 1.00 21.54 H new ATOM 0 HD22 ASN A 36 18.840 -6.198 -3.958 1.00 21.54 H new ATOM 542 N LEU A 37 16.009 -7.419 0.932 1.00 42.04 N ATOM 543 CA LEU A 37 16.454 -7.895 2.237 1.00 41.12 C ATOM 544 C LEU A 37 17.849 -8.505 2.148 1.00 34.43 C ATOM 545 O LEU A 37 18.503 -8.734 3.166 1.00 41.43 O ATOM 546 CB LEU A 37 15.468 -8.927 2.788 1.00 32.32 C ATOM 547 CG LEU A 37 13.985 -8.573 2.662 1.00 23.33 C ATOM 548 CD1 LEU A 37 13.118 -9.744 3.101 1.00 44.55 C ATOM 549 CD2 LEU A 37 13.662 -7.331 3.479 1.00 73.30 C ATOM 0 H LEU A 37 15.217 -7.931 0.544 1.00 42.04 H new ATOM 0 HA LEU A 37 16.494 -7.041 2.914 1.00 41.12 H new ATOM 0 HB2 LEU A 37 15.640 -9.874 2.276 1.00 32.32 H new ATOM 0 HB3 LEU A 37 15.694 -9.089 3.842 1.00 32.32 H new ATOM 0 HG LEU A 37 13.769 -8.360 1.615 1.00 23.33 H new ATOM 0 HD11 LEU A 37 12.066 -9.474 3.005 1.00 44.55 H new ATOM 0 HD12 LEU A 37 13.330 -10.609 2.473 1.00 44.55 H new ATOM 0 HD13 LEU A 37 13.336 -9.989 4.141 1.00 44.55 H new ATOM 0 HD21 LEU A 37 12.603 -7.094 3.378 1.00 73.30 H new ATOM 0 HD22 LEU A 37 13.894 -7.515 4.528 1.00 73.30 H new ATOM 0 HD23 LEU A 37 14.258 -6.493 3.118 1.00 73.30 H new ATOM 561 N ALA A 38 18.299 -8.765 0.925 1.00 11.43 N ATOM 562 CA ALA A 38 19.618 -9.344 0.703 1.00 64.01 C ATOM 563 C ALA A 38 20.707 -8.279 0.792 1.00 74.52 C ATOM 564 O ALA A 38 21.716 -8.465 1.472 1.00 11.43 O ATOM 565 CB ALA A 38 19.668 -10.041 -0.648 1.00 72.25 C ATOM 0 H ALA A 38 17.769 -8.584 0.072 1.00 11.43 H new ATOM 0 HA ALA A 38 19.801 -10.080 1.486 1.00 64.01 H new ATOM 0 HB1 ALA A 38 20.659 -10.469 -0.800 1.00 72.25 H new ATOM 0 HB2 ALA A 38 18.922 -10.835 -0.676 1.00 72.25 H new ATOM 0 HB3 ALA A 38 19.459 -9.319 -1.438 1.00 72.25 H new ATOM 571 N LYS A 39 20.495 -7.165 0.100 1.00 24.43 N ATOM 572 CA LYS A 39 21.459 -6.069 0.101 1.00 74.40 C ATOM 573 C LYS A 39 21.236 -5.151 1.298 1.00 20.11 C ATOM 574 O LYS A 39 22.175 -4.822 2.023 1.00 33.41 O ATOM 575 CB LYS A 39 21.351 -5.268 -1.198 1.00 32.01 C ATOM 576 CG LYS A 39 22.643 -4.574 -1.593 1.00 13.31 C ATOM 577 CD LYS A 39 22.675 -4.259 -3.080 1.00 0.14 C ATOM 578 CE LYS A 39 23.052 -5.483 -3.901 1.00 0.24 C ATOM 579 NZ LYS A 39 24.528 -5.612 -4.057 1.00 32.20 N ATOM 0 H LYS A 39 19.665 -6.996 -0.469 1.00 24.43 H new ATOM 0 HA LYS A 39 22.459 -6.496 0.175 1.00 74.40 H new ATOM 0 HB2 LYS A 39 21.047 -5.937 -2.003 1.00 32.01 H new ATOM 0 HB3 LYS A 39 20.565 -4.521 -1.090 1.00 32.01 H new ATOM 0 HG2 LYS A 39 22.751 -3.652 -1.022 1.00 13.31 H new ATOM 0 HG3 LYS A 39 23.491 -5.209 -1.336 1.00 13.31 H new ATOM 0 HD2 LYS A 39 21.698 -3.894 -3.397 1.00 0.14 H new ATOM 0 HD3 LYS A 39 23.391 -3.459 -3.268 1.00 0.14 H new ATOM 0 HE2 LYS A 39 22.658 -6.378 -3.420 1.00 0.24 H new ATOM 0 HE3 LYS A 39 22.587 -5.418 -4.885 1.00 0.24 H new ATOM 0 HZ1 LYS A 39 24.745 -6.458 -4.622 1.00 32.20 H new ATOM 0 HZ2 LYS A 39 24.901 -4.769 -4.538 1.00 32.20 H new ATOM 0 HZ3 LYS A 39 24.970 -5.700 -3.120 1.00 32.20 H new ATOM 593 N ASP A 40 19.988 -4.740 1.500 1.00 63.34 N ATOM 594 CA ASP A 40 19.643 -3.862 2.610 1.00 12.34 C ATOM 595 C ASP A 40 20.183 -4.411 3.927 1.00 41.35 C ATOM 596 O ASP A 40 21.047 -3.802 4.558 1.00 11.14 O ATOM 597 CB ASP A 40 18.126 -3.689 2.699 1.00 60.32 C ATOM 598 CG ASP A 40 17.728 -2.439 3.459 1.00 10.42 C ATOM 599 OD1 ASP A 40 17.711 -1.351 2.844 1.00 22.23 O ATOM 600 OD2 ASP A 40 17.434 -2.548 4.667 1.00 43.03 O ATOM 0 H ASP A 40 19.199 -5.002 0.909 1.00 63.34 H new ATOM 0 HA ASP A 40 20.102 -2.890 2.428 1.00 12.34 H new ATOM 0 HB2 ASP A 40 17.709 -3.647 1.693 1.00 60.32 H new ATOM 0 HB3 ASP A 40 17.692 -4.561 3.188 1.00 60.32 H new ATOM 605 N PHE A 41 19.668 -5.566 4.336 1.00 51.23 N ATOM 606 CA PHE A 41 20.097 -6.197 5.579 1.00 55.34 C ATOM 607 C PHE A 41 21.432 -6.912 5.393 1.00 13.42 C ATOM 608 O PHE A 41 21.987 -7.467 6.339 1.00 4.32 O ATOM 609 CB PHE A 41 19.037 -7.188 6.063 1.00 32.53 C ATOM 610 CG PHE A 41 17.748 -6.536 6.474 1.00 72.32 C ATOM 611 CD1 PHE A 41 17.742 -5.505 7.399 1.00 12.33 C ATOM 612 CD2 PHE A 41 16.543 -6.953 5.934 1.00 73.13 C ATOM 613 CE1 PHE A 41 16.557 -4.903 7.779 1.00 51.15 C ATOM 614 CE2 PHE A 41 15.354 -6.355 6.309 1.00 63.51 C ATOM 615 CZ PHE A 41 15.362 -5.328 7.231 1.00 32.44 C ATOM 0 H PHE A 41 18.953 -6.084 3.825 1.00 51.23 H new ATOM 0 HA PHE A 41 20.225 -5.417 6.329 1.00 55.34 H new ATOM 0 HB2 PHE A 41 18.834 -7.907 5.269 1.00 32.53 H new ATOM 0 HB3 PHE A 41 19.436 -7.750 6.908 1.00 32.53 H new ATOM 0 HD1 PHE A 41 18.674 -5.168 7.828 1.00 12.33 H new ATOM 0 HD2 PHE A 41 16.532 -7.755 5.211 1.00 73.13 H new ATOM 0 HE1 PHE A 41 16.565 -4.102 8.503 1.00 51.15 H new ATOM 0 HE2 PHE A 41 14.421 -6.691 5.881 1.00 63.51 H new ATOM 0 HZ PHE A 41 14.435 -4.857 7.524 1.00 32.44 H new ATOM 625 N ASN A 42 21.940 -6.893 4.165 1.00 62.01 N ATOM 626 CA ASN A 42 23.209 -7.541 3.854 1.00 43.41 C ATOM 627 C ASN A 42 23.213 -8.990 4.330 1.00 32.20 C ATOM 628 O ASN A 42 24.038 -9.382 5.156 1.00 14.03 O ATOM 629 CB ASN A 42 24.368 -6.777 4.501 1.00 74.50 C ATOM 630 CG ASN A 42 24.930 -5.702 3.592 1.00 43.04 C ATOM 631 OD1 ASN A 42 25.463 -5.995 2.521 1.00 64.32 O ATOM 632 ND2 ASN A 42 24.816 -4.449 4.015 1.00 71.31 N ATOM 0 H ASN A 42 21.493 -6.437 3.370 1.00 62.01 H new ATOM 0 HA ASN A 42 23.335 -7.533 2.771 1.00 43.41 H new ATOM 0 HB2 ASN A 42 24.025 -6.321 5.430 1.00 74.50 H new ATOM 0 HB3 ASN A 42 25.160 -7.478 4.763 1.00 74.50 H new ATOM 0 HD21 ASN A 42 25.177 -3.684 3.446 1.00 71.31 H new ATOM 0 HD22 ASN A 42 24.367 -4.251 4.909 1.00 71.31 H new ATOM 639 N LEU A 43 22.285 -9.782 3.802 1.00 0.14 N ATOM 640 CA LEU A 43 22.180 -11.189 4.173 1.00 4.12 C ATOM 641 C LEU A 43 23.318 -12.000 3.560 1.00 55.50 C ATOM 642 O LEU A 43 23.856 -11.639 2.513 1.00 12.51 O ATOM 643 CB LEU A 43 20.833 -11.756 3.721 1.00 2.23 C ATOM 644 CG LEU A 43 19.629 -11.400 4.594 1.00 32.43 C ATOM 645 CD1 LEU A 43 18.352 -11.977 4.002 1.00 22.23 C ATOM 646 CD2 LEU A 43 19.834 -11.901 6.017 1.00 61.35 C ATOM 0 H LEU A 43 21.595 -9.474 3.116 1.00 0.14 H new ATOM 0 HA LEU A 43 22.252 -11.260 5.258 1.00 4.12 H new ATOM 0 HB2 LEU A 43 20.637 -11.408 2.707 1.00 2.23 H new ATOM 0 HB3 LEU A 43 20.915 -12.842 3.675 1.00 2.23 H new ATOM 0 HG LEU A 43 19.534 -10.315 4.623 1.00 32.43 H new ATOM 0 HD11 LEU A 43 17.506 -11.714 4.636 1.00 22.23 H new ATOM 0 HD12 LEU A 43 18.197 -11.569 3.003 1.00 22.23 H new ATOM 0 HD13 LEU A 43 18.437 -13.062 3.942 1.00 22.23 H new ATOM 0 HD21 LEU A 43 18.967 -11.639 6.624 1.00 61.35 H new ATOM 0 HD22 LEU A 43 19.956 -12.984 6.007 1.00 61.35 H new ATOM 0 HD23 LEU A 43 20.726 -11.439 6.440 1.00 61.35 H new ATOM 658 N ASP A 44 23.677 -13.097 4.217 1.00 13.11 N ATOM 659 CA ASP A 44 24.748 -13.960 3.735 1.00 72.53 C ATOM 660 C ASP A 44 24.190 -15.085 2.869 1.00 75.24 C ATOM 661 O ASP A 44 23.024 -15.461 2.996 1.00 40.44 O ATOM 662 CB ASP A 44 25.529 -14.547 4.913 1.00 51.15 C ATOM 663 CG ASP A 44 26.976 -14.096 4.929 1.00 21.20 C ATOM 664 OD1 ASP A 44 27.558 -13.928 3.836 1.00 30.42 O ATOM 665 OD2 ASP A 44 27.527 -13.911 6.034 1.00 63.34 O ATOM 0 H ASP A 44 23.242 -13.410 5.085 1.00 13.11 H new ATOM 0 HA ASP A 44 25.422 -13.356 3.127 1.00 72.53 H new ATOM 0 HB2 ASP A 44 25.049 -14.253 5.846 1.00 51.15 H new ATOM 0 HB3 ASP A 44 25.491 -15.635 4.864 1.00 51.15 H new ATOM 670 N SER A 45 25.030 -15.619 1.987 1.00 65.32 N ATOM 671 CA SER A 45 24.620 -16.697 1.096 1.00 60.12 C ATOM 672 C SER A 45 24.053 -17.871 1.888 1.00 31.24 C ATOM 673 O SER A 45 23.247 -18.651 1.377 1.00 40.22 O ATOM 674 CB SER A 45 25.803 -17.165 0.247 1.00 63.42 C ATOM 675 OG SER A 45 25.446 -18.271 -0.564 1.00 12.42 O ATOM 0 H SER A 45 25.999 -15.322 1.871 1.00 65.32 H new ATOM 0 HA SER A 45 23.840 -16.313 0.439 1.00 60.12 H new ATOM 0 HB2 SER A 45 26.149 -16.345 -0.383 1.00 63.42 H new ATOM 0 HB3 SER A 45 26.634 -17.440 0.897 1.00 63.42 H new ATOM 0 HG SER A 45 26.220 -18.549 -1.097 1.00 12.42 H new ATOM 681 N LEU A 46 24.478 -17.991 3.141 1.00 71.33 N ATOM 682 CA LEU A 46 24.014 -19.070 4.006 1.00 25.25 C ATOM 683 C LEU A 46 22.572 -18.834 4.445 1.00 62.14 C ATOM 684 O LEU A 46 21.788 -19.776 4.569 1.00 62.33 O ATOM 685 CB LEU A 46 24.919 -19.191 5.234 1.00 13.24 C ATOM 686 CG LEU A 46 26.139 -20.099 5.082 1.00 31.11 C ATOM 687 CD1 LEU A 46 25.715 -21.558 5.023 1.00 42.14 C ATOM 688 CD2 LEU A 46 26.934 -19.721 3.840 1.00 75.23 C ATOM 0 H LEU A 46 25.143 -17.355 3.581 1.00 71.33 H new ATOM 0 HA LEU A 46 24.055 -20.000 3.439 1.00 25.25 H new ATOM 0 HB2 LEU A 46 25.265 -18.194 5.505 1.00 13.24 H new ATOM 0 HB3 LEU A 46 24.320 -19.558 6.067 1.00 13.24 H new ATOM 0 HG LEU A 46 26.779 -19.964 5.954 1.00 31.11 H new ATOM 0 HD11 LEU A 46 26.597 -22.189 4.915 1.00 42.14 H new ATOM 0 HD12 LEU A 46 25.191 -21.822 5.941 1.00 42.14 H new ATOM 0 HD13 LEU A 46 25.053 -21.710 4.171 1.00 42.14 H new ATOM 0 HD21 LEU A 46 27.799 -20.378 3.748 1.00 75.23 H new ATOM 0 HD22 LEU A 46 26.303 -19.826 2.958 1.00 75.23 H new ATOM 0 HD23 LEU A 46 27.271 -18.688 3.924 1.00 75.23 H new ATOM 700 N ASP A 47 22.228 -17.572 4.675 1.00 2.12 N ATOM 701 CA ASP A 47 20.880 -17.212 5.096 1.00 55.22 C ATOM 702 C ASP A 47 19.903 -17.300 3.927 1.00 62.23 C ATOM 703 O ASP A 47 18.813 -17.857 4.055 1.00 64.30 O ATOM 704 CB ASP A 47 20.866 -15.799 5.682 1.00 35.55 C ATOM 705 CG ASP A 47 20.361 -15.771 7.111 1.00 1.24 C ATOM 706 OD1 ASP A 47 19.268 -16.320 7.366 1.00 22.24 O ATOM 707 OD2 ASP A 47 21.059 -15.200 7.976 1.00 73.34 O ATOM 0 H ASP A 47 22.864 -16.781 4.577 1.00 2.12 H new ATOM 0 HA ASP A 47 20.565 -17.919 5.863 1.00 55.22 H new ATOM 0 HB2 ASP A 47 21.873 -15.384 5.647 1.00 35.55 H new ATOM 0 HB3 ASP A 47 20.236 -15.159 5.064 1.00 35.55 H new ATOM 712 N PHE A 48 20.302 -16.745 2.787 1.00 64.30 N ATOM 713 CA PHE A 48 19.462 -16.758 1.595 1.00 64.44 C ATOM 714 C PHE A 48 19.014 -18.179 1.262 1.00 11.41 C ATOM 715 O PHE A 48 17.849 -18.415 0.944 1.00 74.22 O ATOM 716 CB PHE A 48 20.216 -16.158 0.406 1.00 22.22 C ATOM 717 CG PHE A 48 19.316 -15.686 -0.698 1.00 52.44 C ATOM 718 CD1 PHE A 48 18.756 -14.419 -0.660 1.00 63.45 C ATOM 719 CD2 PHE A 48 19.028 -16.509 -1.776 1.00 12.05 C ATOM 720 CE1 PHE A 48 17.928 -13.981 -1.676 1.00 14.24 C ATOM 721 CE2 PHE A 48 18.200 -16.077 -2.794 1.00 10.41 C ATOM 722 CZ PHE A 48 17.648 -14.811 -2.743 1.00 43.02 C ATOM 0 H PHE A 48 21.202 -16.281 2.664 1.00 64.30 H new ATOM 0 HA PHE A 48 18.578 -16.154 1.798 1.00 64.44 H new ATOM 0 HB2 PHE A 48 20.820 -15.320 0.755 1.00 22.22 H new ATOM 0 HB3 PHE A 48 20.904 -16.904 0.009 1.00 22.22 H new ATOM 0 HD1 PHE A 48 18.969 -13.766 0.174 1.00 63.45 H new ATOM 0 HD2 PHE A 48 19.456 -17.500 -1.820 1.00 12.05 H new ATOM 0 HE1 PHE A 48 17.500 -12.990 -1.635 1.00 14.24 H new ATOM 0 HE2 PHE A 48 17.984 -16.728 -3.629 1.00 10.41 H new ATOM 0 HZ PHE A 48 16.999 -14.472 -3.537 1.00 43.02 H new ATOM 732 N VAL A 49 19.949 -19.121 1.336 1.00 31.14 N ATOM 733 CA VAL A 49 19.651 -20.518 1.044 1.00 4.02 C ATOM 734 C VAL A 49 18.534 -21.041 1.939 1.00 75.11 C ATOM 735 O VAL A 49 17.545 -21.593 1.456 1.00 13.45 O ATOM 736 CB VAL A 49 20.896 -21.406 1.223 1.00 23.20 C ATOM 737 CG1 VAL A 49 20.538 -22.873 1.037 1.00 42.05 C ATOM 738 CG2 VAL A 49 21.992 -20.990 0.254 1.00 40.22 C ATOM 0 H VAL A 49 20.919 -18.942 1.596 1.00 31.14 H new ATOM 0 HA VAL A 49 19.329 -20.562 0.004 1.00 4.02 H new ATOM 0 HB VAL A 49 21.271 -21.274 2.238 1.00 23.20 H new ATOM 0 HG11 VAL A 49 21.431 -23.485 1.167 1.00 42.05 H new ATOM 0 HG12 VAL A 49 19.790 -23.161 1.775 1.00 42.05 H new ATOM 0 HG13 VAL A 49 20.137 -23.025 0.035 1.00 42.05 H new ATOM 0 HG21 VAL A 49 22.864 -21.629 0.395 1.00 40.22 H new ATOM 0 HG22 VAL A 49 21.630 -21.091 -0.769 1.00 40.22 H new ATOM 0 HG23 VAL A 49 22.268 -19.952 0.441 1.00 40.22 H new ATOM 748 N ASP A 50 18.698 -20.864 3.245 1.00 22.50 N ATOM 749 CA ASP A 50 17.703 -21.317 4.210 1.00 13.12 C ATOM 750 C ASP A 50 16.374 -20.599 3.997 1.00 71.13 C ATOM 751 O ASP A 50 15.308 -21.146 4.283 1.00 54.43 O ATOM 752 CB ASP A 50 18.200 -21.083 5.637 1.00 0.42 C ATOM 753 CG ASP A 50 19.007 -22.250 6.169 1.00 65.22 C ATOM 754 OD1 ASP A 50 18.466 -23.374 6.213 1.00 24.13 O ATOM 755 OD2 ASP A 50 20.181 -22.039 6.540 1.00 60.22 O ATOM 0 H ASP A 50 19.511 -20.410 3.660 1.00 22.50 H new ATOM 0 HA ASP A 50 17.547 -22.385 4.059 1.00 13.12 H new ATOM 0 HB2 ASP A 50 18.812 -20.181 5.662 1.00 0.42 H new ATOM 0 HB3 ASP A 50 17.346 -20.907 6.291 1.00 0.42 H new ATOM 760 N LEU A 51 16.444 -19.372 3.492 1.00 21.14 N ATOM 761 CA LEU A 51 15.247 -18.578 3.241 1.00 73.32 C ATOM 762 C LEU A 51 14.405 -19.200 2.131 1.00 12.04 C ATOM 763 O LEU A 51 13.237 -19.533 2.339 1.00 41.05 O ATOM 764 CB LEU A 51 15.630 -17.146 2.865 1.00 42.44 C ATOM 765 CG LEU A 51 15.673 -16.138 4.013 1.00 31.31 C ATOM 766 CD1 LEU A 51 16.227 -14.806 3.534 1.00 12.25 C ATOM 767 CD2 LEU A 51 14.288 -15.957 4.616 1.00 62.45 C ATOM 0 H LEU A 51 17.318 -18.906 3.248 1.00 21.14 H new ATOM 0 HA LEU A 51 14.654 -18.560 4.155 1.00 73.32 H new ATOM 0 HB2 LEU A 51 16.611 -17.167 2.390 1.00 42.44 H new ATOM 0 HB3 LEU A 51 14.922 -16.786 2.119 1.00 42.44 H new ATOM 0 HG LEU A 51 16.336 -16.526 4.787 1.00 31.31 H new ATOM 0 HD11 LEU A 51 16.250 -14.101 4.365 1.00 12.25 H new ATOM 0 HD12 LEU A 51 17.238 -14.949 3.151 1.00 12.25 H new ATOM 0 HD13 LEU A 51 15.591 -14.411 2.741 1.00 12.25 H new ATOM 0 HD21 LEU A 51 14.338 -15.236 5.432 1.00 62.45 H new ATOM 0 HD22 LEU A 51 13.603 -15.592 3.851 1.00 62.45 H new ATOM 0 HD23 LEU A 51 13.930 -16.913 4.998 1.00 62.45 H new ATOM 779 N ILE A 52 15.004 -19.354 0.956 1.00 42.41 N ATOM 780 CA ILE A 52 14.309 -19.938 -0.184 1.00 64.52 C ATOM 781 C ILE A 52 13.861 -21.364 0.117 1.00 62.04 C ATOM 782 O ILE A 52 12.773 -21.780 -0.279 1.00 73.21 O ATOM 783 CB ILE A 52 15.200 -19.947 -1.441 1.00 52.01 C ATOM 784 CG1 ILE A 52 16.520 -20.664 -1.152 1.00 60.25 C ATOM 785 CG2 ILE A 52 15.456 -18.525 -1.919 1.00 40.14 C ATOM 786 CD1 ILE A 52 17.501 -20.610 -2.303 1.00 45.42 C ATOM 0 H ILE A 52 15.969 -19.083 0.768 1.00 42.41 H new ATOM 0 HA ILE A 52 13.433 -19.317 -0.372 1.00 64.52 H new ATOM 0 HB ILE A 52 14.681 -20.487 -2.233 1.00 52.01 H new ATOM 0 HG12 ILE A 52 16.981 -20.218 -0.271 1.00 60.25 H new ATOM 0 HG13 ILE A 52 16.313 -21.706 -0.910 1.00 60.25 H new ATOM 0 HG21 ILE A 52 16.087 -18.548 -2.808 1.00 40.14 H new ATOM 0 HG22 ILE A 52 14.507 -18.046 -2.160 1.00 40.14 H new ATOM 0 HG23 ILE A 52 15.958 -17.961 -1.132 1.00 40.14 H new ATOM 0 HD11 ILE A 52 18.414 -21.138 -2.028 1.00 45.42 H new ATOM 0 HD12 ILE A 52 17.059 -21.082 -3.180 1.00 45.42 H new ATOM 0 HD13 ILE A 52 17.738 -19.571 -2.531 1.00 45.42 H new ATOM 798 N MET A 53 14.707 -22.108 0.822 1.00 51.11 N ATOM 799 CA MET A 53 14.396 -23.487 1.180 1.00 32.40 C ATOM 800 C MET A 53 13.256 -23.543 2.191 1.00 13.42 C ATOM 801 O MET A 53 12.364 -24.385 2.090 1.00 74.24 O ATOM 802 CB MET A 53 15.634 -24.180 1.752 1.00 44.13 C ATOM 803 CG MET A 53 16.679 -24.521 0.702 1.00 25.10 C ATOM 804 SD MET A 53 17.357 -26.179 0.910 1.00 72.30 S ATOM 805 CE MET A 53 15.880 -27.175 0.724 1.00 3.12 C ATOM 0 H MET A 53 15.613 -21.779 1.157 1.00 51.11 H new ATOM 0 HA MET A 53 14.082 -24.008 0.276 1.00 32.40 H new ATOM 0 HB2 MET A 53 16.085 -23.535 2.506 1.00 44.13 H new ATOM 0 HB3 MET A 53 15.327 -25.095 2.258 1.00 44.13 H new ATOM 0 HG2 MET A 53 16.234 -24.437 -0.289 1.00 25.10 H new ATOM 0 HG3 MET A 53 17.489 -23.793 0.751 1.00 25.10 H new ATOM 0 HE1 MET A 53 16.148 -28.151 0.319 1.00 3.12 H new ATOM 0 HE2 MET A 53 15.403 -27.304 1.696 1.00 3.12 H new ATOM 0 HE3 MET A 53 15.189 -26.677 0.044 1.00 3.12 H new ATOM 815 N SER A 54 13.290 -22.640 3.166 1.00 2.33 N ATOM 816 CA SER A 54 12.261 -22.589 4.198 1.00 62.54 C ATOM 817 C SER A 54 10.888 -22.337 3.584 1.00 44.30 C ATOM 818 O SER A 54 9.941 -23.088 3.821 1.00 20.01 O ATOM 819 CB SER A 54 12.586 -21.495 5.218 1.00 71.54 C ATOM 820 OG SER A 54 11.424 -21.094 5.922 1.00 73.12 O ATOM 0 H SER A 54 14.019 -21.934 3.263 1.00 2.33 H new ATOM 0 HA SER A 54 12.241 -23.554 4.705 1.00 62.54 H new ATOM 0 HB2 SER A 54 13.334 -21.860 5.922 1.00 71.54 H new ATOM 0 HB3 SER A 54 13.021 -20.635 4.708 1.00 71.54 H new ATOM 0 HG SER A 54 11.497 -20.146 6.160 1.00 73.12 H new ATOM 826 N LEU A 55 10.787 -21.274 2.793 1.00 14.25 N ATOM 827 CA LEU A 55 9.530 -20.920 2.143 1.00 10.24 C ATOM 828 C LEU A 55 9.123 -21.984 1.130 1.00 75.25 C ATOM 829 O LEU A 55 7.942 -22.301 0.989 1.00 71.11 O ATOM 830 CB LEU A 55 9.655 -19.562 1.452 1.00 41.14 C ATOM 831 CG LEU A 55 9.238 -18.345 2.279 1.00 21.31 C ATOM 832 CD1 LEU A 55 9.651 -17.058 1.582 1.00 72.20 C ATOM 833 CD2 LEU A 55 7.737 -18.361 2.531 1.00 42.13 C ATOM 0 H LEU A 55 11.561 -20.642 2.586 1.00 14.25 H new ATOM 0 HA LEU A 55 8.757 -20.860 2.909 1.00 10.24 H new ATOM 0 HB2 LEU A 55 10.692 -19.428 1.144 1.00 41.14 H new ATOM 0 HB3 LEU A 55 9.052 -19.582 0.544 1.00 41.14 H new ATOM 0 HG LEU A 55 9.748 -18.391 3.241 1.00 21.31 H new ATOM 0 HD11 LEU A 55 9.346 -16.203 2.186 1.00 72.20 H new ATOM 0 HD12 LEU A 55 10.733 -17.044 1.455 1.00 72.20 H new ATOM 0 HD13 LEU A 55 9.170 -17.003 0.605 1.00 72.20 H new ATOM 0 HD21 LEU A 55 7.458 -17.488 3.121 1.00 42.13 H new ATOM 0 HD22 LEU A 55 7.208 -18.340 1.578 1.00 42.13 H new ATOM 0 HD23 LEU A 55 7.469 -19.267 3.075 1.00 42.13 H new ATOM 845 N GLU A 56 10.109 -22.534 0.428 1.00 54.04 N ATOM 846 CA GLU A 56 9.851 -23.565 -0.572 1.00 2.32 C ATOM 847 C GLU A 56 9.109 -24.747 0.044 1.00 62.44 C ATOM 848 O GLU A 56 8.075 -25.176 -0.465 1.00 54.25 O ATOM 849 CB GLU A 56 11.165 -24.042 -1.195 1.00 1.43 C ATOM 850 CG GLU A 56 10.985 -25.135 -2.234 1.00 42.31 C ATOM 851 CD GLU A 56 12.270 -25.888 -2.518 1.00 5.51 C ATOM 852 OE1 GLU A 56 12.839 -26.470 -1.571 1.00 62.11 O ATOM 853 OE2 GLU A 56 12.707 -25.894 -3.688 1.00 14.34 O ATOM 0 H GLU A 56 11.092 -22.284 0.533 1.00 54.04 H new ATOM 0 HA GLU A 56 9.224 -23.131 -1.351 1.00 2.32 H new ATOM 0 HB2 GLU A 56 11.667 -23.192 -1.657 1.00 1.43 H new ATOM 0 HB3 GLU A 56 11.820 -24.408 -0.405 1.00 1.43 H new ATOM 0 HG2 GLU A 56 10.226 -25.837 -1.889 1.00 42.31 H new ATOM 0 HG3 GLU A 56 10.615 -24.694 -3.159 1.00 42.31 H new ATOM 860 N GLU A 57 9.647 -25.269 1.142 1.00 54.50 N ATOM 861 CA GLU A 57 9.036 -26.402 1.826 1.00 24.33 C ATOM 862 C GLU A 57 7.752 -25.982 2.536 1.00 63.24 C ATOM 863 O GLU A 57 6.814 -26.770 2.661 1.00 51.32 O ATOM 864 CB GLU A 57 10.016 -27.005 2.836 1.00 70.42 C ATOM 865 CG GLU A 57 10.321 -26.090 4.009 1.00 45.51 C ATOM 866 CD GLU A 57 11.207 -26.748 5.048 1.00 41.40 C ATOM 867 OE1 GLU A 57 12.299 -27.229 4.680 1.00 54.52 O ATOM 868 OE2 GLU A 57 10.808 -26.783 6.232 1.00 54.44 O ATOM 0 H GLU A 57 10.504 -24.926 1.576 1.00 54.50 H new ATOM 0 HA GLU A 57 8.787 -27.154 1.077 1.00 24.33 H new ATOM 0 HB2 GLU A 57 9.605 -27.941 3.214 1.00 70.42 H new ATOM 0 HB3 GLU A 57 10.947 -27.249 2.325 1.00 70.42 H new ATOM 0 HG2 GLU A 57 10.807 -25.186 3.643 1.00 45.51 H new ATOM 0 HG3 GLU A 57 9.386 -25.782 4.477 1.00 45.51 H new ATOM 875 N ARG A 58 7.719 -24.737 2.999 1.00 53.32 N ATOM 876 CA ARG A 58 6.552 -24.213 3.697 1.00 13.33 C ATOM 877 C ARG A 58 5.305 -24.310 2.823 1.00 74.53 C ATOM 878 O ARG A 58 4.305 -24.911 3.214 1.00 31.54 O ATOM 879 CB ARG A 58 6.787 -22.757 4.107 1.00 54.15 C ATOM 880 CG ARG A 58 5.623 -22.141 4.865 1.00 74.42 C ATOM 881 CD ARG A 58 5.847 -22.193 6.369 1.00 52.45 C ATOM 882 NE ARG A 58 5.468 -23.484 6.936 1.00 53.44 N ATOM 883 CZ ARG A 58 4.209 -23.891 7.058 1.00 23.30 C ATOM 884 NH1 ARG A 58 3.215 -23.113 6.655 1.00 42.21 N ATOM 885 NH2 ARG A 58 3.944 -25.080 7.584 1.00 23.43 N ATOM 0 H ARG A 58 8.487 -24.073 2.903 1.00 53.32 H new ATOM 0 HA ARG A 58 6.396 -24.816 4.592 1.00 13.33 H new ATOM 0 HB2 ARG A 58 7.682 -22.703 4.727 1.00 54.15 H new ATOM 0 HB3 ARG A 58 6.982 -22.164 3.213 1.00 54.15 H new ATOM 0 HG2 ARG A 58 5.490 -21.106 4.551 1.00 74.42 H new ATOM 0 HG3 ARG A 58 4.704 -22.670 4.615 1.00 74.42 H new ATOM 0 HD2 ARG A 58 6.897 -21.996 6.586 1.00 52.45 H new ATOM 0 HD3 ARG A 58 5.269 -21.403 6.849 1.00 52.45 H new ATOM 0 HE ARG A 58 6.210 -24.107 7.256 1.00 53.44 H new ATOM 0 HH11 ARG A 58 3.415 -22.199 6.250 1.00 42.21 H new ATOM 0 HH12 ARG A 58 2.250 -23.428 6.750 1.00 42.21 H new ATOM 0 HH21 ARG A 58 4.707 -25.682 7.895 1.00 23.43 H new ATOM 0 HH22 ARG A 58 2.978 -25.392 7.678 1.00 23.43 H new ATOM 899 N PHE A 59 5.373 -23.716 1.636 1.00 13.35 N ATOM 900 CA PHE A 59 4.249 -23.735 0.707 1.00 45.43 C ATOM 901 C PHE A 59 4.412 -24.851 -0.320 1.00 63.14 C ATOM 902 O PHE A 59 3.682 -24.912 -1.309 1.00 53.21 O ATOM 903 CB PHE A 59 4.126 -22.386 -0.005 1.00 45.14 C ATOM 904 CG PHE A 59 3.659 -21.276 0.891 1.00 12.43 C ATOM 905 CD1 PHE A 59 4.571 -20.512 1.603 1.00 75.51 C ATOM 906 CD2 PHE A 59 2.309 -20.995 1.024 1.00 71.35 C ATOM 907 CE1 PHE A 59 4.144 -19.489 2.429 1.00 32.52 C ATOM 908 CE2 PHE A 59 1.876 -19.973 1.847 1.00 62.10 C ATOM 909 CZ PHE A 59 2.795 -19.220 2.552 1.00 34.21 C ATOM 0 H PHE A 59 6.194 -23.216 1.295 1.00 13.35 H new ATOM 0 HA PHE A 59 3.340 -23.921 1.279 1.00 45.43 H new ATOM 0 HB2 PHE A 59 5.094 -22.118 -0.428 1.00 45.14 H new ATOM 0 HB3 PHE A 59 3.431 -22.486 -0.839 1.00 45.14 H new ATOM 0 HD1 PHE A 59 5.627 -20.718 1.511 1.00 75.51 H new ATOM 0 HD2 PHE A 59 1.586 -21.582 0.478 1.00 71.35 H new ATOM 0 HE1 PHE A 59 4.865 -18.901 2.978 1.00 32.52 H new ATOM 0 HE2 PHE A 59 0.821 -19.763 1.939 1.00 62.10 H new ATOM 0 HZ PHE A 59 2.459 -18.422 3.198 1.00 34.21 H new ATOM 919 N SER A 60 5.378 -25.733 -0.080 1.00 31.03 N ATOM 920 CA SER A 60 5.640 -26.846 -0.985 1.00 23.01 C ATOM 921 C SER A 60 5.807 -26.351 -2.418 1.00 74.45 C ATOM 922 O SER A 60 5.507 -27.069 -3.373 1.00 64.52 O ATOM 923 CB SER A 60 4.505 -27.868 -0.914 1.00 35.11 C ATOM 924 OG SER A 60 4.063 -28.047 0.421 1.00 74.33 O ATOM 0 H SER A 60 5.992 -25.698 0.734 1.00 31.03 H new ATOM 0 HA SER A 60 6.568 -27.325 -0.674 1.00 23.01 H new ATOM 0 HB2 SER A 60 3.673 -27.536 -1.535 1.00 35.11 H new ATOM 0 HB3 SER A 60 4.844 -28.821 -1.319 1.00 35.11 H new ATOM 0 HG SER A 60 3.336 -28.704 0.440 1.00 74.33 H new ATOM 930 N LEU A 61 6.285 -25.120 -2.562 1.00 21.40 N ATOM 931 CA LEU A 61 6.492 -24.528 -3.879 1.00 71.22 C ATOM 932 C LEU A 61 7.744 -25.097 -4.541 1.00 54.53 C ATOM 933 O LEU A 61 8.650 -25.581 -3.864 1.00 0.43 O ATOM 934 CB LEU A 61 6.608 -23.007 -3.763 1.00 74.25 C ATOM 935 CG LEU A 61 6.845 -22.252 -5.071 1.00 13.52 C ATOM 936 CD1 LEU A 61 5.698 -22.491 -6.042 1.00 25.20 C ATOM 937 CD2 LEU A 61 7.015 -20.763 -4.803 1.00 62.50 C ATOM 0 H LEU A 61 6.537 -24.512 -1.783 1.00 21.40 H new ATOM 0 HA LEU A 61 5.631 -24.774 -4.501 1.00 71.22 H new ATOM 0 HB2 LEU A 61 5.694 -22.626 -3.307 1.00 74.25 H new ATOM 0 HB3 LEU A 61 7.425 -22.776 -3.080 1.00 74.25 H new ATOM 0 HG LEU A 61 7.762 -22.628 -5.524 1.00 13.52 H new ATOM 0 HD11 LEU A 61 5.885 -21.945 -6.967 1.00 25.20 H new ATOM 0 HD12 LEU A 61 5.621 -23.556 -6.258 1.00 25.20 H new ATOM 0 HD13 LEU A 61 4.766 -22.142 -5.597 1.00 25.20 H new ATOM 0 HD21 LEU A 61 7.183 -20.241 -5.745 1.00 62.50 H new ATOM 0 HD22 LEU A 61 6.115 -20.374 -4.328 1.00 62.50 H new ATOM 0 HD23 LEU A 61 7.869 -20.607 -4.144 1.00 62.50 H new ATOM 949 N GLU A 62 7.785 -25.031 -5.868 1.00 64.11 N ATOM 950 CA GLU A 62 8.927 -25.539 -6.621 1.00 40.54 C ATOM 951 C GLU A 62 9.805 -24.392 -7.115 1.00 32.21 C ATOM 952 O GLU A 62 9.551 -23.813 -8.172 1.00 65.30 O ATOM 953 CB GLU A 62 8.450 -26.379 -7.808 1.00 3.23 C ATOM 954 CG GLU A 62 7.777 -27.679 -7.401 1.00 44.02 C ATOM 955 CD GLU A 62 7.419 -28.547 -8.592 1.00 2.22 C ATOM 956 OE1 GLU A 62 7.425 -28.029 -9.728 1.00 32.41 O ATOM 957 OE2 GLU A 62 7.133 -29.745 -8.387 1.00 33.24 O ATOM 0 H GLU A 62 7.043 -24.632 -6.443 1.00 64.11 H new ATOM 0 HA GLU A 62 9.519 -26.167 -5.956 1.00 40.54 H new ATOM 0 HB2 GLU A 62 7.753 -25.789 -8.403 1.00 3.23 H new ATOM 0 HB3 GLU A 62 9.303 -26.606 -8.448 1.00 3.23 H new ATOM 0 HG2 GLU A 62 8.439 -28.235 -6.737 1.00 44.02 H new ATOM 0 HG3 GLU A 62 6.873 -27.454 -6.835 1.00 44.02 H new ATOM 964 N ILE A 63 10.837 -24.070 -6.343 1.00 12.34 N ATOM 965 CA ILE A 63 11.753 -22.994 -6.702 1.00 13.42 C ATOM 966 C ILE A 63 13.063 -23.548 -7.251 1.00 50.35 C ATOM 967 O ILE A 63 13.660 -24.451 -6.667 1.00 1.03 O ATOM 968 CB ILE A 63 12.058 -22.088 -5.494 1.00 13.21 C ATOM 969 CG1 ILE A 63 10.760 -21.689 -4.788 1.00 12.13 C ATOM 970 CG2 ILE A 63 12.826 -20.853 -5.939 1.00 44.33 C ATOM 971 CD1 ILE A 63 10.980 -20.849 -3.549 1.00 31.30 C ATOM 0 H ILE A 63 11.060 -24.539 -5.465 1.00 12.34 H new ATOM 0 HA ILE A 63 11.259 -22.403 -7.474 1.00 13.42 H new ATOM 0 HB ILE A 63 12.677 -22.643 -4.789 1.00 13.21 H new ATOM 0 HG12 ILE A 63 10.132 -21.135 -5.486 1.00 12.13 H new ATOM 0 HG13 ILE A 63 10.213 -22.591 -4.513 1.00 12.13 H new ATOM 0 HG21 ILE A 63 13.034 -20.223 -5.074 1.00 44.33 H new ATOM 0 HG22 ILE A 63 13.765 -21.156 -6.402 1.00 44.33 H new ATOM 0 HG23 ILE A 63 12.230 -20.294 -6.660 1.00 44.33 H new ATOM 0 HD11 ILE A 63 10.017 -20.603 -3.100 1.00 31.30 H new ATOM 0 HD12 ILE A 63 11.582 -21.408 -2.833 1.00 31.30 H new ATOM 0 HD13 ILE A 63 11.499 -19.930 -3.820 1.00 31.30 H new ATOM 983 N SER A 64 13.504 -22.998 -8.378 1.00 62.12 N ATOM 984 CA SER A 64 14.743 -23.438 -9.009 1.00 24.42 C ATOM 985 C SER A 64 15.804 -22.344 -8.943 1.00 43.13 C ATOM 986 O SER A 64 15.487 -21.165 -8.789 1.00 51.43 O ATOM 987 CB SER A 64 14.488 -23.830 -10.466 1.00 11.30 C ATOM 988 OG SER A 64 13.193 -24.383 -10.625 1.00 62.42 O ATOM 0 H SER A 64 13.022 -22.247 -8.873 1.00 62.12 H new ATOM 0 HA SER A 64 15.109 -24.309 -8.465 1.00 24.42 H new ATOM 0 HB2 SER A 64 14.594 -22.954 -11.106 1.00 11.30 H new ATOM 0 HB3 SER A 64 15.238 -24.553 -10.788 1.00 11.30 H new ATOM 0 HG SER A 64 12.534 -23.660 -10.684 1.00 62.42 H new ATOM 994 N ASP A 65 17.065 -22.743 -9.062 1.00 62.34 N ATOM 995 CA ASP A 65 18.175 -21.798 -9.018 1.00 23.42 C ATOM 996 C ASP A 65 17.960 -20.661 -10.012 1.00 74.13 C ATOM 997 O ASP A 65 18.360 -19.524 -9.764 1.00 54.05 O ATOM 998 CB ASP A 65 19.494 -22.513 -9.318 1.00 52.11 C ATOM 999 CG ASP A 65 20.695 -21.763 -8.776 1.00 70.32 C ATOM 1000 OD1 ASP A 65 20.578 -21.164 -7.686 1.00 71.50 O ATOM 1001 OD2 ASP A 65 21.751 -21.773 -9.441 1.00 61.43 O ATOM 0 H ASP A 65 17.345 -23.716 -9.190 1.00 62.34 H new ATOM 0 HA ASP A 65 18.221 -21.375 -8.014 1.00 23.42 H new ATOM 0 HB2 ASP A 65 19.468 -23.513 -8.886 1.00 52.11 H new ATOM 0 HB3 ASP A 65 19.601 -22.634 -10.396 1.00 52.11 H new ATOM 1006 N GLU A 66 17.327 -20.977 -11.138 1.00 21.54 N ATOM 1007 CA GLU A 66 17.061 -19.982 -12.169 1.00 3.53 C ATOM 1008 C GLU A 66 15.921 -19.057 -11.752 1.00 44.45 C ATOM 1009 O GLU A 66 15.899 -17.880 -12.113 1.00 51.24 O ATOM 1010 CB GLU A 66 16.719 -20.667 -13.494 1.00 13.04 C ATOM 1011 CG GLU A 66 17.675 -20.323 -14.622 1.00 65.22 C ATOM 1012 CD GLU A 66 19.098 -20.764 -14.336 1.00 70.22 C ATOM 1013 OE1 GLU A 66 19.852 -19.974 -13.731 1.00 23.41 O ATOM 1014 OE2 GLU A 66 19.457 -21.897 -14.717 1.00 75.31 O ATOM 0 H GLU A 66 16.989 -21.914 -11.359 1.00 21.54 H new ATOM 0 HA GLU A 66 17.962 -19.383 -12.300 1.00 3.53 H new ATOM 0 HB2 GLU A 66 16.719 -21.747 -13.346 1.00 13.04 H new ATOM 0 HB3 GLU A 66 15.708 -20.386 -13.788 1.00 13.04 H new ATOM 0 HG2 GLU A 66 17.330 -20.795 -15.542 1.00 65.22 H new ATOM 0 HG3 GLU A 66 17.659 -19.246 -14.791 1.00 65.22 H new ATOM 1021 N ASP A 67 14.978 -19.598 -10.990 1.00 50.34 N ATOM 1022 CA ASP A 67 13.834 -18.822 -10.523 1.00 4.40 C ATOM 1023 C ASP A 67 14.263 -17.800 -9.474 1.00 63.04 C ATOM 1024 O ASP A 67 13.779 -16.668 -9.463 1.00 63.01 O ATOM 1025 CB ASP A 67 12.766 -19.748 -9.942 1.00 31.35 C ATOM 1026 CG ASP A 67 12.137 -20.640 -10.994 1.00 43.02 C ATOM 1027 OD1 ASP A 67 11.745 -20.117 -12.058 1.00 3.12 O ATOM 1028 OD2 ASP A 67 12.038 -21.862 -10.755 1.00 23.01 O ATOM 0 H ASP A 67 14.982 -20.570 -10.682 1.00 50.34 H new ATOM 0 HA ASP A 67 13.416 -18.288 -11.376 1.00 4.40 H new ATOM 0 HB2 ASP A 67 13.211 -20.368 -9.164 1.00 31.35 H new ATOM 0 HB3 ASP A 67 11.989 -19.149 -9.467 1.00 31.35 H new ATOM 1033 N ALA A 68 15.174 -18.207 -8.596 1.00 50.52 N ATOM 1034 CA ALA A 68 15.669 -17.326 -7.546 1.00 14.12 C ATOM 1035 C ALA A 68 16.545 -16.219 -8.123 1.00 75.14 C ATOM 1036 O ALA A 68 16.713 -15.165 -7.511 1.00 20.01 O ATOM 1037 CB ALA A 68 16.441 -18.126 -6.507 1.00 45.43 C ATOM 0 H ALA A 68 15.584 -19.141 -8.591 1.00 50.52 H new ATOM 0 HA ALA A 68 14.810 -16.858 -7.065 1.00 14.12 H new ATOM 0 HB1 ALA A 68 16.805 -17.456 -5.728 1.00 45.43 H new ATOM 0 HB2 ALA A 68 15.785 -18.875 -6.063 1.00 45.43 H new ATOM 0 HB3 ALA A 68 17.287 -18.621 -6.984 1.00 45.43 H new ATOM 1043 N GLN A 69 17.099 -16.466 -9.306 1.00 33.43 N ATOM 1044 CA GLN A 69 17.959 -15.491 -9.965 1.00 50.50 C ATOM 1045 C GLN A 69 17.211 -14.185 -10.210 1.00 42.43 C ATOM 1046 O GLN A 69 17.822 -13.131 -10.392 1.00 20.02 O ATOM 1047 CB GLN A 69 18.479 -16.051 -11.289 1.00 42.55 C ATOM 1048 CG GLN A 69 19.954 -16.418 -11.258 1.00 42.41 C ATOM 1049 CD GLN A 69 20.858 -15.201 -11.223 1.00 21.43 C ATOM 1050 OE1 GLN A 69 20.387 -14.063 -11.218 1.00 60.33 O ATOM 1051 NE2 GLN A 69 22.165 -15.435 -11.198 1.00 70.11 N ATOM 0 H GLN A 69 16.967 -17.333 -9.827 1.00 33.43 H new ATOM 0 HA GLN A 69 18.805 -15.287 -9.309 1.00 50.50 H new ATOM 0 HB2 GLN A 69 17.899 -16.935 -11.553 1.00 42.55 H new ATOM 0 HB3 GLN A 69 18.313 -15.315 -12.075 1.00 42.55 H new ATOM 0 HG2 GLN A 69 20.152 -17.038 -10.384 1.00 42.41 H new ATOM 0 HG3 GLN A 69 20.194 -17.019 -12.135 1.00 42.41 H new ATOM 0 HE21 GLN A 69 22.512 -16.394 -11.203 1.00 70.11 H new ATOM 0 HE22 GLN A 69 22.822 -14.655 -11.173 1.00 70.11 H new ATOM 1060 N LYS A 70 15.885 -14.259 -10.213 1.00 74.45 N ATOM 1061 CA LYS A 70 15.051 -13.084 -10.436 1.00 1.53 C ATOM 1062 C LYS A 70 14.295 -12.705 -9.166 1.00 1.43 C ATOM 1063 O LYS A 70 13.358 -11.907 -9.204 1.00 51.12 O ATOM 1064 CB LYS A 70 14.062 -13.341 -11.574 1.00 34.22 C ATOM 1065 CG LYS A 70 12.898 -14.234 -11.177 1.00 63.44 C ATOM 1066 CD LYS A 70 12.748 -15.409 -12.129 1.00 33.11 C ATOM 1067 CE LYS A 70 11.290 -15.807 -12.296 1.00 71.42 C ATOM 1068 NZ LYS A 70 10.584 -14.935 -13.276 1.00 44.31 N ATOM 0 H LYS A 70 15.363 -15.123 -10.063 1.00 74.45 H new ATOM 0 HA LYS A 70 15.703 -12.255 -10.712 1.00 1.53 H new ATOM 0 HB2 LYS A 70 13.673 -12.387 -11.929 1.00 34.22 H new ATOM 0 HB3 LYS A 70 14.592 -13.799 -12.409 1.00 34.22 H new ATOM 0 HG2 LYS A 70 13.051 -14.603 -10.163 1.00 63.44 H new ATOM 0 HG3 LYS A 70 11.977 -13.651 -11.169 1.00 63.44 H new ATOM 0 HD2 LYS A 70 13.169 -15.148 -13.100 1.00 33.11 H new ATOM 0 HD3 LYS A 70 13.318 -16.259 -11.753 1.00 33.11 H new ATOM 0 HE2 LYS A 70 11.233 -16.844 -12.626 1.00 71.42 H new ATOM 0 HE3 LYS A 70 10.786 -15.751 -11.331 1.00 71.42 H new ATOM 0 HZ1 LYS A 70 9.593 -15.239 -13.361 1.00 44.31 H new ATOM 0 HZ2 LYS A 70 10.616 -13.948 -12.949 1.00 44.31 H new ATOM 0 HZ3 LYS A 70 11.049 -15.008 -14.203 1.00 44.31 H new ATOM 1082 N LEU A 71 14.709 -13.281 -8.043 1.00 13.15 N ATOM 1083 CA LEU A 71 14.071 -13.003 -6.761 1.00 10.42 C ATOM 1084 C LEU A 71 15.083 -12.461 -5.756 1.00 61.30 C ATOM 1085 O LEU A 71 16.069 -13.123 -5.435 1.00 61.23 O ATOM 1086 CB LEU A 71 13.416 -14.270 -6.209 1.00 23.55 C ATOM 1087 CG LEU A 71 12.319 -14.889 -7.075 1.00 21.50 C ATOM 1088 CD1 LEU A 71 11.713 -16.101 -6.383 1.00 21.03 C ATOM 1089 CD2 LEU A 71 11.244 -13.861 -7.391 1.00 12.53 C ATOM 0 H LEU A 71 15.483 -13.943 -7.994 1.00 13.15 H new ATOM 0 HA LEU A 71 13.304 -12.246 -6.922 1.00 10.42 H new ATOM 0 HB2 LEU A 71 14.193 -15.018 -6.052 1.00 23.55 H new ATOM 0 HB3 LEU A 71 12.993 -14.040 -5.231 1.00 23.55 H new ATOM 0 HG LEU A 71 12.766 -15.217 -8.013 1.00 21.50 H new ATOM 0 HD11 LEU A 71 10.934 -16.529 -7.014 1.00 21.03 H new ATOM 0 HD12 LEU A 71 12.489 -16.846 -6.209 1.00 21.03 H new ATOM 0 HD13 LEU A 71 11.281 -15.797 -5.429 1.00 21.03 H new ATOM 0 HD21 LEU A 71 10.472 -14.320 -8.008 1.00 12.53 H new ATOM 0 HD22 LEU A 71 10.800 -13.501 -6.463 1.00 12.53 H new ATOM 0 HD23 LEU A 71 11.688 -13.024 -7.929 1.00 12.53 H new ATOM 1101 N GLU A 72 14.830 -11.253 -5.262 1.00 14.33 N ATOM 1102 CA GLU A 72 15.719 -10.623 -4.292 1.00 73.52 C ATOM 1103 C GLU A 72 14.927 -9.784 -3.294 1.00 43.43 C ATOM 1104 O GLU A 72 15.140 -9.871 -2.084 1.00 73.12 O ATOM 1105 CB GLU A 72 16.751 -9.749 -5.006 1.00 41.34 C ATOM 1106 CG GLU A 72 16.148 -8.822 -6.049 1.00 21.33 C ATOM 1107 CD GLU A 72 17.201 -8.096 -6.863 1.00 53.11 C ATOM 1108 OE1 GLU A 72 18.197 -8.741 -7.253 1.00 42.31 O ATOM 1109 OE2 GLU A 72 17.029 -6.885 -7.110 1.00 52.00 O ATOM 0 H GLU A 72 14.018 -10.691 -5.517 1.00 14.33 H new ATOM 0 HA GLU A 72 16.238 -11.411 -3.746 1.00 73.52 H new ATOM 0 HB2 GLU A 72 17.283 -9.152 -4.266 1.00 41.34 H new ATOM 0 HB3 GLU A 72 17.489 -10.392 -5.487 1.00 41.34 H new ATOM 0 HG2 GLU A 72 15.511 -9.400 -6.719 1.00 21.33 H new ATOM 0 HG3 GLU A 72 15.509 -8.091 -5.554 1.00 21.33 H new ATOM 1116 N THR A 73 14.013 -8.967 -3.810 1.00 72.44 N ATOM 1117 CA THR A 73 13.190 -8.110 -2.967 1.00 4.34 C ATOM 1118 C THR A 73 11.976 -8.862 -2.435 1.00 12.00 C ATOM 1119 O THR A 73 11.550 -9.862 -3.014 1.00 42.34 O ATOM 1120 CB THR A 73 12.712 -6.861 -3.731 1.00 65.13 C ATOM 1121 OG1 THR A 73 12.040 -7.251 -4.934 1.00 4.12 O ATOM 1122 CG2 THR A 73 13.884 -5.953 -4.071 1.00 4.33 C ATOM 0 H THR A 73 13.825 -8.882 -4.809 1.00 72.44 H new ATOM 0 HA THR A 73 13.815 -7.798 -2.130 1.00 4.34 H new ATOM 0 HB THR A 73 12.022 -6.312 -3.090 1.00 65.13 H new ATOM 0 HG1 THR A 73 11.738 -6.452 -5.414 1.00 4.12 H new ATOM 0 HG21 THR A 73 13.522 -5.078 -4.610 1.00 4.33 H new ATOM 0 HG22 THR A 73 14.376 -5.635 -3.152 1.00 4.33 H new ATOM 0 HG23 THR A 73 14.595 -6.495 -4.695 1.00 4.33 H new ATOM 1130 N VAL A 74 11.421 -8.377 -1.329 1.00 44.25 N ATOM 1131 CA VAL A 74 10.253 -9.003 -0.721 1.00 71.10 C ATOM 1132 C VAL A 74 9.099 -9.094 -1.713 1.00 60.12 C ATOM 1133 O VAL A 74 8.514 -10.160 -1.904 1.00 22.51 O ATOM 1134 CB VAL A 74 9.785 -8.227 0.524 1.00 25.12 C ATOM 1135 CG1 VAL A 74 8.626 -8.946 1.198 1.00 52.13 C ATOM 1136 CG2 VAL A 74 10.940 -8.033 1.496 1.00 34.04 C ATOM 0 H VAL A 74 11.762 -7.552 -0.835 1.00 44.25 H new ATOM 0 HA VAL A 74 10.552 -10.008 -0.423 1.00 71.10 H new ATOM 0 HB VAL A 74 9.436 -7.244 0.208 1.00 25.12 H new ATOM 0 HG11 VAL A 74 8.309 -8.383 2.076 1.00 52.13 H new ATOM 0 HG12 VAL A 74 7.793 -9.028 0.500 1.00 52.13 H new ATOM 0 HG13 VAL A 74 8.944 -9.943 1.502 1.00 52.13 H new ATOM 0 HG21 VAL A 74 10.591 -7.483 2.370 1.00 34.04 H new ATOM 0 HG22 VAL A 74 11.321 -9.006 1.808 1.00 34.04 H new ATOM 0 HG23 VAL A 74 11.736 -7.471 1.007 1.00 34.04 H new ATOM 1146 N ASP A 75 8.777 -7.969 -2.342 1.00 22.54 N ATOM 1147 CA ASP A 75 7.693 -7.922 -3.316 1.00 40.14 C ATOM 1148 C ASP A 75 7.918 -8.941 -4.429 1.00 70.00 C ATOM 1149 O ASP A 75 6.988 -9.629 -4.852 1.00 42.53 O ATOM 1150 CB ASP A 75 7.574 -6.518 -3.910 1.00 63.23 C ATOM 1151 CG ASP A 75 6.245 -6.294 -4.604 1.00 53.41 C ATOM 1152 OD1 ASP A 75 5.205 -6.692 -4.038 1.00 23.41 O ATOM 1153 OD2 ASP A 75 6.243 -5.721 -5.714 1.00 1.32 O ATOM 0 H ASP A 75 9.251 -7.078 -2.195 1.00 22.54 H new ATOM 0 HA ASP A 75 6.765 -8.171 -2.802 1.00 40.14 H new ATOM 0 HB2 ASP A 75 7.696 -5.780 -3.117 1.00 63.23 H new ATOM 0 HB3 ASP A 75 8.384 -6.358 -4.622 1.00 63.23 H new ATOM 1158 N ASP A 76 9.158 -9.033 -4.899 1.00 53.01 N ATOM 1159 CA ASP A 76 9.505 -9.968 -5.963 1.00 32.13 C ATOM 1160 C ASP A 76 9.299 -11.409 -5.508 1.00 4.15 C ATOM 1161 O ASP A 76 8.650 -12.200 -6.192 1.00 73.03 O ATOM 1162 CB ASP A 76 10.956 -9.760 -6.399 1.00 73.52 C ATOM 1163 CG ASP A 76 11.121 -8.553 -7.302 1.00 1.45 C ATOM 1164 OD1 ASP A 76 10.153 -7.776 -7.437 1.00 43.24 O ATOM 1165 OD2 ASP A 76 12.220 -8.385 -7.871 1.00 14.20 O ATOM 0 H ASP A 76 9.939 -8.471 -4.560 1.00 53.01 H new ATOM 0 HA ASP A 76 8.848 -9.777 -6.811 1.00 32.13 H new ATOM 0 HB2 ASP A 76 11.584 -9.638 -5.516 1.00 73.52 H new ATOM 0 HB3 ASP A 76 11.307 -10.651 -6.920 1.00 73.52 H new ATOM 1170 N ILE A 77 9.858 -11.744 -4.350 1.00 33.41 N ATOM 1171 CA ILE A 77 9.735 -13.090 -3.804 1.00 42.01 C ATOM 1172 C ILE A 77 8.277 -13.445 -3.538 1.00 14.23 C ATOM 1173 O ILE A 77 7.768 -14.448 -4.041 1.00 4.43 O ATOM 1174 CB ILE A 77 10.535 -13.243 -2.497 1.00 62.01 C ATOM 1175 CG1 ILE A 77 12.011 -12.913 -2.735 1.00 31.21 C ATOM 1176 CG2 ILE A 77 10.385 -14.653 -1.945 1.00 54.54 C ATOM 1177 CD1 ILE A 77 12.767 -12.580 -1.469 1.00 0.20 C ATOM 0 H ILE A 77 10.400 -11.102 -3.772 1.00 33.41 H new ATOM 0 HA ILE A 77 10.142 -13.771 -4.552 1.00 42.01 H new ATOM 0 HB ILE A 77 10.139 -12.542 -1.762 1.00 62.01 H new ATOM 0 HG12 ILE A 77 12.491 -13.762 -3.222 1.00 31.21 H new ATOM 0 HG13 ILE A 77 12.080 -12.070 -3.422 1.00 31.21 H new ATOM 0 HG21 ILE A 77 10.956 -14.745 -1.021 1.00 54.54 H new ATOM 0 HG22 ILE A 77 9.333 -14.854 -1.743 1.00 54.54 H new ATOM 0 HG23 ILE A 77 10.758 -15.371 -2.675 1.00 54.54 H new ATOM 0 HD11 ILE A 77 13.806 -12.357 -1.713 1.00 0.20 H new ATOM 0 HD12 ILE A 77 12.312 -11.712 -0.991 1.00 0.20 H new ATOM 0 HD13 ILE A 77 12.729 -13.430 -0.788 1.00 0.20 H new ATOM 1189 N CYS A 78 7.607 -12.615 -2.745 1.00 61.25 N ATOM 1190 CA CYS A 78 6.204 -12.840 -2.413 1.00 2.14 C ATOM 1191 C CYS A 78 5.361 -12.978 -3.676 1.00 72.24 C ATOM 1192 O CYS A 78 4.465 -13.819 -3.747 1.00 42.05 O ATOM 1193 CB CYS A 78 5.673 -11.692 -1.553 1.00 33.40 C ATOM 1194 SG CYS A 78 4.064 -12.023 -0.795 1.00 42.35 S ATOM 0 H CYS A 78 8.012 -11.781 -2.320 1.00 61.25 H new ATOM 0 HA CYS A 78 6.134 -13.770 -1.849 1.00 2.14 H new ATOM 0 HB2 CYS A 78 6.396 -11.476 -0.766 1.00 33.40 H new ATOM 0 HB3 CYS A 78 5.595 -10.796 -2.169 1.00 33.40 H new ATOM 0 HG CYS A 78 3.403 -12.867 -1.530 1.00 42.35 H new ATOM 1200 N ARG A 79 5.654 -12.146 -4.670 1.00 42.12 N ATOM 1201 CA ARG A 79 4.921 -12.172 -5.930 1.00 32.51 C ATOM 1202 C ARG A 79 5.082 -13.522 -6.624 1.00 62.11 C ATOM 1203 O ARG A 79 4.102 -14.135 -7.047 1.00 54.33 O ATOM 1204 CB ARG A 79 5.406 -11.052 -6.852 1.00 34.14 C ATOM 1205 CG ARG A 79 4.698 -9.727 -6.624 1.00 33.33 C ATOM 1206 CD ARG A 79 5.414 -8.585 -7.326 1.00 43.34 C ATOM 1207 NE ARG A 79 4.545 -7.426 -7.512 1.00 64.15 N ATOM 1208 CZ ARG A 79 4.816 -6.431 -8.350 1.00 42.12 C ATOM 1209 NH1 ARG A 79 5.927 -6.454 -9.074 1.00 41.13 N ATOM 1210 NH2 ARG A 79 3.976 -5.410 -8.464 1.00 72.00 N ATOM 0 H ARG A 79 6.394 -11.445 -4.627 1.00 42.12 H new ATOM 0 HA ARG A 79 3.865 -12.019 -5.709 1.00 32.51 H new ATOM 0 HB2 ARG A 79 6.477 -10.912 -6.707 1.00 34.14 H new ATOM 0 HB3 ARG A 79 5.262 -11.358 -7.888 1.00 34.14 H new ATOM 0 HG2 ARG A 79 3.673 -9.794 -6.988 1.00 33.33 H new ATOM 0 HG3 ARG A 79 4.644 -9.521 -5.555 1.00 33.33 H new ATOM 0 HD2 ARG A 79 6.288 -8.293 -6.744 1.00 43.34 H new ATOM 0 HD3 ARG A 79 5.776 -8.926 -8.296 1.00 43.34 H new ATOM 0 HE ARG A 79 3.683 -7.378 -6.969 1.00 64.15 H new ATOM 0 HH11 ARG A 79 6.576 -7.237 -8.988 1.00 41.13 H new ATOM 0 HH12 ARG A 79 6.133 -5.689 -9.717 1.00 41.13 H new ATOM 0 HH21 ARG A 79 3.121 -5.388 -7.908 1.00 72.00 H new ATOM 0 HH22 ARG A 79 4.185 -4.647 -9.108 1.00 72.00 H new ATOM 1224 N TYR A 80 6.324 -13.978 -6.736 1.00 65.34 N ATOM 1225 CA TYR A 80 6.614 -15.254 -7.381 1.00 50.23 C ATOM 1226 C TYR A 80 5.904 -16.399 -6.668 1.00 33.42 C ATOM 1227 O TYR A 80 5.391 -17.320 -7.305 1.00 3.40 O ATOM 1228 CB TYR A 80 8.123 -15.507 -7.401 1.00 55.12 C ATOM 1229 CG TYR A 80 8.497 -16.899 -7.860 1.00 74.13 C ATOM 1230 CD1 TYR A 80 8.567 -17.954 -6.958 1.00 52.21 C ATOM 1231 CD2 TYR A 80 8.781 -17.159 -9.195 1.00 64.12 C ATOM 1232 CE1 TYR A 80 8.909 -19.226 -7.372 1.00 73.04 C ATOM 1233 CE2 TYR A 80 9.122 -18.428 -9.619 1.00 4.04 C ATOM 1234 CZ TYR A 80 9.185 -19.459 -8.703 1.00 53.44 C ATOM 1235 OH TYR A 80 9.526 -20.725 -9.122 1.00 12.11 O ATOM 0 H TYR A 80 7.146 -13.484 -6.389 1.00 65.34 H new ATOM 0 HA TYR A 80 6.246 -15.206 -8.406 1.00 50.23 H new ATOM 0 HB2 TYR A 80 8.597 -14.777 -8.058 1.00 55.12 H new ATOM 0 HB3 TYR A 80 8.524 -15.343 -6.401 1.00 55.12 H new ATOM 0 HD1 TYR A 80 8.350 -17.776 -5.915 1.00 52.21 H new ATOM 0 HD2 TYR A 80 8.734 -16.354 -9.914 1.00 64.12 H new ATOM 0 HE1 TYR A 80 8.960 -20.034 -6.657 1.00 73.04 H new ATOM 0 HE2 TYR A 80 9.338 -18.613 -10.661 1.00 4.04 H new ATOM 0 HH TYR A 80 9.455 -20.777 -10.098 1.00 12.11 H new ATOM 1245 N ILE A 81 5.878 -16.335 -5.340 1.00 75.45 N ATOM 1246 CA ILE A 81 5.229 -17.366 -4.539 1.00 44.21 C ATOM 1247 C ILE A 81 3.710 -17.272 -4.647 1.00 45.44 C ATOM 1248 O ILE A 81 3.014 -18.286 -4.649 1.00 63.42 O ATOM 1249 CB ILE A 81 5.634 -17.264 -3.057 1.00 32.32 C ATOM 1250 CG1 ILE A 81 7.149 -17.416 -2.908 1.00 21.53 C ATOM 1251 CG2 ILE A 81 4.907 -18.318 -2.235 1.00 70.44 C ATOM 1252 CD1 ILE A 81 7.640 -17.213 -1.492 1.00 20.45 C ATOM 0 H ILE A 81 6.298 -15.581 -4.797 1.00 75.45 H new ATOM 0 HA ILE A 81 5.560 -18.327 -4.933 1.00 44.21 H new ATOM 0 HB ILE A 81 5.348 -16.280 -2.685 1.00 32.32 H new ATOM 0 HG12 ILE A 81 7.441 -18.410 -3.246 1.00 21.53 H new ATOM 0 HG13 ILE A 81 7.644 -16.698 -3.562 1.00 21.53 H new ATOM 0 HG21 ILE A 81 5.204 -18.233 -1.190 1.00 70.44 H new ATOM 0 HG22 ILE A 81 3.831 -18.167 -2.320 1.00 70.44 H new ATOM 0 HG23 ILE A 81 5.165 -19.310 -2.606 1.00 70.44 H new ATOM 0 HD11 ILE A 81 8.723 -17.336 -1.461 1.00 20.45 H new ATOM 0 HD12 ILE A 81 7.379 -16.209 -1.157 1.00 20.45 H new ATOM 0 HD13 ILE A 81 7.173 -17.948 -0.836 1.00 20.45 H new ATOM 1264 N ALA A 82 3.204 -16.046 -4.741 1.00 24.44 N ATOM 1265 CA ALA A 82 1.769 -15.820 -4.853 1.00 74.32 C ATOM 1266 C ALA A 82 1.248 -16.266 -6.216 1.00 1.20 C ATOM 1267 O ALA A 82 0.235 -16.957 -6.308 1.00 72.43 O ATOM 1268 CB ALA A 82 1.446 -14.353 -4.617 1.00 50.42 C ATOM 0 H ALA A 82 3.767 -15.195 -4.742 1.00 24.44 H new ATOM 0 HA ALA A 82 1.271 -16.418 -4.089 1.00 74.32 H new ATOM 0 HB1 ALA A 82 0.370 -14.199 -4.704 1.00 50.42 H new ATOM 0 HB2 ALA A 82 1.775 -14.064 -3.619 1.00 50.42 H new ATOM 0 HB3 ALA A 82 1.961 -13.743 -5.359 1.00 50.42 H new ATOM 1274 N SER A 83 1.949 -15.863 -7.272 1.00 34.12 N ATOM 1275 CA SER A 83 1.554 -16.217 -8.630 1.00 43.14 C ATOM 1276 C SER A 83 1.402 -17.728 -8.776 1.00 54.13 C ATOM 1277 O SER A 83 0.634 -18.209 -9.609 1.00 22.31 O ATOM 1278 CB SER A 83 2.584 -15.697 -9.635 1.00 1.43 C ATOM 1279 OG SER A 83 2.076 -15.743 -10.957 1.00 10.43 O ATOM 0 H SER A 83 2.792 -15.292 -7.213 1.00 34.12 H new ATOM 0 HA SER A 83 0.590 -15.751 -8.834 1.00 43.14 H new ATOM 0 HB2 SER A 83 2.857 -14.672 -9.383 1.00 1.43 H new ATOM 0 HB3 SER A 83 3.493 -16.295 -9.571 1.00 1.43 H new ATOM 0 HG SER A 83 2.753 -15.404 -11.579 1.00 10.43 H new ATOM 1285 N LYS A 84 2.140 -18.472 -7.959 1.00 42.25 N ATOM 1286 CA LYS A 84 2.089 -19.928 -7.994 1.00 0.24 C ATOM 1287 C LYS A 84 0.823 -20.444 -7.316 1.00 65.15 C ATOM 1288 O LYS A 84 0.130 -21.309 -7.852 1.00 0.04 O ATOM 1289 CB LYS A 84 3.324 -20.519 -7.309 1.00 70.24 C ATOM 1290 CG LYS A 84 4.629 -20.170 -8.004 1.00 52.41 C ATOM 1291 CD LYS A 84 4.924 -21.124 -9.149 1.00 32.14 C ATOM 1292 CE LYS A 84 6.387 -21.068 -9.558 1.00 24.30 C ATOM 1293 NZ LYS A 84 6.638 -20.015 -10.581 1.00 51.04 N ATOM 0 H LYS A 84 2.781 -18.090 -7.264 1.00 42.25 H new ATOM 0 HA LYS A 84 2.075 -20.241 -9.038 1.00 0.24 H new ATOM 0 HB2 LYS A 84 3.364 -20.163 -6.279 1.00 70.24 H new ATOM 0 HB3 LYS A 84 3.222 -21.603 -7.268 1.00 70.24 H new ATOM 0 HG2 LYS A 84 4.578 -19.149 -8.384 1.00 52.41 H new ATOM 0 HG3 LYS A 84 5.446 -20.202 -7.283 1.00 52.41 H new ATOM 0 HD2 LYS A 84 4.667 -22.141 -8.852 1.00 32.14 H new ATOM 0 HD3 LYS A 84 4.296 -20.873 -10.004 1.00 32.14 H new ATOM 0 HE2 LYS A 84 7.002 -20.875 -8.679 1.00 24.30 H new ATOM 0 HE3 LYS A 84 6.691 -22.037 -9.953 1.00 24.30 H new ATOM 0 HZ1 LYS A 84 6.791 -20.461 -11.508 1.00 51.04 H new ATOM 0 HZ2 LYS A 84 5.816 -19.379 -10.634 1.00 51.04 H new ATOM 0 HZ3 LYS A 84 7.482 -19.468 -10.316 1.00 51.04 H new