USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 960 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 115 THR OG1 : rot 180:sc= 0.803 USER MOD Set 1.2: A 119 LYS NZ :NH3+ 147:sc= 0.91 (180deg=0) USER MOD Set 2.1: A 56 SER OG : rot 82:sc= 0.453 USER MOD Set 2.2: A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 63 MET CE :methyl -142:sc= 0 (180deg=-0.187) USER MOD Set 3.2: A 71 THR OG1 : rot 76:sc= 1.11 USER MOD Set 4.1: A 7 LYS NZ :NH3+ -176:sc= 1.26 (180deg=1.13) USER MOD Set 4.2: A 51 TYR OH : rot 100:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 114:sc= 0.529 USER MOD Single : A 17 MET CE :methyl 158:sc= -0.056 (180deg=-0.0705) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.0648 X(o=-0.065,f=-0.065) USER MOD Single : A 32 ASN : amide:sc= -0.255 K(o=-0.26,f=-1) USER MOD Single : A 44 ASN : amide:sc= 0.633 K(o=0.63,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 169:sc= 0.355 (180deg=0.194) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 MET CE :methyl -153:sc= -0.629 (180deg=-2.01!) USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0.00771 USER MOD Single : A 87 THR OG1 : rot 87:sc= 1.15 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -0.568 X(o=-0.57,f=-0.25) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 104 SER OG : rot -28:sc= 1.15 USER MOD Single : A 106 TYR OH : rot -15:sc= 1.2 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= 0.799 K(o=0.8,f=0) USER MOD Single : A 122 LYS NZ :NH3+ -173:sc= 0.564 (180deg=0.45) USER MOD Single : A 126 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0792) USER MOD Single : A 129 MET CE :methyl -156:sc= 0 (180deg=-0.118) USER MOD ----------------------------------------------------------------- ATOM 79 N LEU A 6 11.097 -10.226 1.749 1.00 0.00 N ATOM 80 CA LEU A 6 9.767 -9.836 1.292 1.00 0.00 C ATOM 81 C LEU A 6 9.756 -8.363 0.865 1.00 0.00 C ATOM 82 O LEU A 6 9.928 -7.484 1.710 1.00 0.00 O ATOM 83 CB LEU A 6 8.751 -10.106 2.404 1.00 0.00 C ATOM 84 CG LEU A 6 7.320 -9.945 1.867 1.00 0.00 C ATOM 85 CD1 LEU A 6 6.642 -11.308 1.704 1.00 0.00 C ATOM 86 CD2 LEU A 6 6.506 -9.013 2.765 1.00 0.00 C ATOM 0 HA LEU A 6 9.492 -10.428 0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.889 -11.114 2.796 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.916 -9.417 3.232 1.00 0.00 H new ATOM 0 HG LEU A 6 7.373 -9.487 0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.630 -11.168 1.323 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.213 -11.917 1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.599 -11.811 2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.497 -8.913 2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.459 -9.427 3.772 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.981 -8.033 2.798 1.00 0.00 H new ATOM 98 N LYS A 7 9.584 -8.102 -0.434 1.00 0.00 N ATOM 99 CA LYS A 7 9.715 -6.770 -1.022 1.00 0.00 C ATOM 100 C LYS A 7 8.414 -5.982 -0.805 1.00 0.00 C ATOM 101 O LYS A 7 7.330 -6.583 -0.809 1.00 0.00 O ATOM 102 CB LYS A 7 10.023 -6.949 -2.524 1.00 0.00 C ATOM 103 CG LYS A 7 10.744 -5.730 -3.112 1.00 0.00 C ATOM 104 CD LYS A 7 11.586 -6.047 -4.356 1.00 0.00 C ATOM 105 CE LYS A 7 10.752 -6.392 -5.591 1.00 0.00 C ATOM 106 NZ LYS A 7 11.557 -6.234 -6.820 1.00 0.00 N ATOM 0 H LYS A 7 9.346 -8.823 -1.115 1.00 0.00 H new ATOM 0 HA LYS A 7 10.521 -6.207 -0.552 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.639 -7.837 -2.664 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.093 -7.117 -3.067 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.005 -4.972 -3.369 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.390 -5.299 -2.348 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.219 -5.189 -4.584 1.00 0.00 H new ATOM 0 HD3 LYS A 7 12.250 -6.882 -4.132 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.388 -7.417 -5.517 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.876 -5.745 -5.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 10.957 -6.406 -7.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 11.939 -5.268 -6.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 12.341 -6.917 -6.811 1.00 0.00 H new ATOM 120 N PHE A 8 8.487 -4.653 -0.690 1.00 0.00 N ATOM 121 CA PHE A 8 7.352 -3.788 -0.386 1.00 0.00 C ATOM 122 C PHE A 8 7.165 -2.776 -1.514 1.00 0.00 C ATOM 123 O PHE A 8 7.960 -1.846 -1.611 1.00 0.00 O ATOM 124 CB PHE A 8 7.642 -3.053 0.933 1.00 0.00 C ATOM 125 CG PHE A 8 7.199 -3.736 2.207 1.00 0.00 C ATOM 126 CD1 PHE A 8 7.918 -4.816 2.752 1.00 0.00 C ATOM 127 CD2 PHE A 8 6.088 -3.222 2.894 1.00 0.00 C ATOM 128 CE1 PHE A 8 7.524 -5.355 3.989 1.00 0.00 C ATOM 129 CE2 PHE A 8 5.703 -3.751 4.134 1.00 0.00 C ATOM 130 CZ PHE A 8 6.434 -4.812 4.691 1.00 0.00 C ATOM 0 H PHE A 8 9.360 -4.140 -0.809 1.00 0.00 H new ATOM 0 HA PHE A 8 6.441 -4.379 -0.290 1.00 0.00 H new ATOM 0 HB2 PHE A 8 8.716 -2.880 0.996 1.00 0.00 H new ATOM 0 HB3 PHE A 8 7.164 -2.074 0.889 1.00 0.00 H new ATOM 0 HD1 PHE A 8 8.766 -5.227 2.224 1.00 0.00 H new ATOM 0 HD2 PHE A 8 5.523 -2.409 2.462 1.00 0.00 H new ATOM 0 HE1 PHE A 8 8.064 -6.194 4.404 1.00 0.00 H new ATOM 0 HE2 PHE A 8 4.850 -3.345 4.657 1.00 0.00 H new ATOM 0 HZ PHE A 8 6.160 -5.210 5.657 1.00 0.00 H new ATOM 140 N LEU A 9 6.153 -2.897 -2.374 1.00 0.00 N ATOM 141 CA LEU A 9 5.877 -1.790 -3.291 1.00 0.00 C ATOM 142 C LEU A 9 5.230 -0.648 -2.506 1.00 0.00 C ATOM 143 O LEU A 9 4.339 -0.906 -1.693 1.00 0.00 O ATOM 144 CB LEU A 9 4.991 -2.248 -4.447 1.00 0.00 C ATOM 145 CG LEU A 9 4.864 -1.168 -5.535 1.00 0.00 C ATOM 146 CD1 LEU A 9 6.183 -0.924 -6.278 1.00 0.00 C ATOM 147 CD2 LEU A 9 3.802 -1.581 -6.546 1.00 0.00 C ATOM 0 H LEU A 9 5.538 -3.707 -2.456 1.00 0.00 H new ATOM 0 HA LEU A 9 6.810 -1.436 -3.729 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.405 -3.157 -4.884 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.001 -2.500 -4.068 1.00 0.00 H new ATOM 0 HG LEU A 9 4.585 -0.242 -5.033 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.037 -0.153 -7.034 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.945 -0.598 -5.570 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.506 -1.847 -6.759 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.714 -0.814 -7.315 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.087 -2.527 -7.007 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.844 -1.698 -6.040 1.00 0.00 H new ATOM 159 N VAL A 10 5.666 0.589 -2.751 1.00 0.00 N ATOM 160 CA VAL A 10 5.187 1.800 -2.090 1.00 0.00 C ATOM 161 C VAL A 10 4.994 2.871 -3.180 1.00 0.00 C ATOM 162 O VAL A 10 5.987 3.384 -3.705 1.00 0.00 O ATOM 163 CB VAL A 10 6.172 2.209 -0.963 1.00 0.00 C ATOM 164 CG1 VAL A 10 5.622 3.377 -0.140 1.00 0.00 C ATOM 165 CG2 VAL A 10 6.472 1.072 0.031 1.00 0.00 C ATOM 0 H VAL A 10 6.391 0.780 -3.443 1.00 0.00 H new ATOM 0 HA VAL A 10 4.228 1.651 -1.593 1.00 0.00 H new ATOM 0 HB VAL A 10 7.088 2.483 -1.487 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.335 3.639 0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.463 4.237 -0.790 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.675 3.087 0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.167 1.428 0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.546 0.751 0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 10 6.916 0.231 -0.501 1.00 0.00 H new ATOM 175 N VAL A 11 3.747 3.180 -3.564 1.00 0.00 N ATOM 176 CA VAL A 11 3.423 4.138 -4.635 1.00 0.00 C ATOM 177 C VAL A 11 2.511 5.223 -4.053 1.00 0.00 C ATOM 178 O VAL A 11 1.308 5.268 -4.319 1.00 0.00 O ATOM 179 CB VAL A 11 2.826 3.465 -5.905 1.00 0.00 C ATOM 180 CG1 VAL A 11 3.000 4.373 -7.134 1.00 0.00 C ATOM 181 CG2 VAL A 11 3.459 2.092 -6.165 1.00 0.00 C ATOM 0 H VAL A 11 2.921 2.765 -3.133 1.00 0.00 H new ATOM 0 HA VAL A 11 4.347 4.594 -4.989 1.00 0.00 H new ATOM 0 HB VAL A 11 1.761 3.315 -5.726 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.576 3.884 -8.011 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.487 5.319 -6.963 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.061 4.560 -7.301 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.018 1.652 -7.059 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.533 2.208 -6.309 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.276 1.439 -5.311 1.00 0.00 H new ATOM 191 N ASP A 12 3.060 6.087 -3.202 1.00 0.00 N ATOM 192 CA ASP A 12 2.342 7.273 -2.751 1.00 0.00 C ATOM 193 C ASP A 12 2.484 8.340 -3.841 1.00 0.00 C ATOM 194 O ASP A 12 3.577 8.548 -4.377 1.00 0.00 O ATOM 195 CB ASP A 12 2.856 7.839 -1.420 1.00 0.00 C ATOM 196 CG ASP A 12 2.885 6.866 -0.235 1.00 0.00 C ATOM 197 OD1 ASP A 12 3.612 5.854 -0.332 1.00 0.00 O ATOM 198 OD2 ASP A 12 2.270 7.198 0.799 1.00 0.00 O ATOM 0 H ASP A 12 3.997 5.987 -2.813 1.00 0.00 H new ATOM 0 HA ASP A 12 1.304 6.989 -2.578 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.866 8.218 -1.576 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.234 8.692 -1.148 1.00 0.00 H new ATOM 203 N ASP A 13 1.395 9.062 -4.122 1.00 0.00 N ATOM 204 CA ASP A 13 1.296 10.178 -5.075 1.00 0.00 C ATOM 205 C ASP A 13 2.344 11.258 -4.826 1.00 0.00 C ATOM 206 O ASP A 13 2.813 11.905 -5.763 1.00 0.00 O ATOM 207 CB ASP A 13 -0.102 10.804 -4.937 1.00 0.00 C ATOM 208 CG ASP A 13 -0.225 12.244 -5.450 1.00 0.00 C ATOM 209 OD1 ASP A 13 -0.466 12.446 -6.659 1.00 0.00 O ATOM 210 OD2 ASP A 13 -0.141 13.196 -4.633 1.00 0.00 O ATOM 0 H ASP A 13 0.503 8.874 -3.664 1.00 0.00 H new ATOM 0 HA ASP A 13 1.468 9.782 -6.076 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.816 10.181 -5.475 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.390 10.784 -3.886 1.00 0.00 H new ATOM 215 N PHE A 14 2.697 11.455 -3.561 1.00 0.00 N ATOM 216 CA PHE A 14 3.484 12.562 -3.067 1.00 0.00 C ATOM 217 C PHE A 14 4.787 11.985 -2.538 1.00 0.00 C ATOM 218 O PHE A 14 4.744 11.171 -1.616 1.00 0.00 O ATOM 219 CB PHE A 14 2.661 13.248 -1.967 1.00 0.00 C ATOM 220 CG PHE A 14 3.294 14.425 -1.247 1.00 0.00 C ATOM 221 CD1 PHE A 14 4.260 15.241 -1.868 1.00 0.00 C ATOM 222 CD2 PHE A 14 2.844 14.747 0.047 1.00 0.00 C ATOM 223 CE1 PHE A 14 4.774 16.360 -1.194 1.00 0.00 C ATOM 224 CE2 PHE A 14 3.338 15.881 0.711 1.00 0.00 C ATOM 225 CZ PHE A 14 4.302 16.690 0.086 1.00 0.00 C ATOM 0 H PHE A 14 2.424 10.810 -2.820 1.00 0.00 H new ATOM 0 HA PHE A 14 3.720 13.302 -3.832 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.726 13.589 -2.410 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.405 12.496 -1.221 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.606 15.005 -2.864 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.113 14.117 0.533 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.534 16.968 -1.661 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.978 16.131 1.698 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.680 17.567 0.591 1.00 0.00 H new ATOM 235 N SER A 15 5.936 12.396 -3.077 1.00 0.00 N ATOM 236 CA SER A 15 7.220 11.827 -2.690 1.00 0.00 C ATOM 237 C SER A 15 7.398 11.883 -1.176 1.00 0.00 C ATOM 238 O SER A 15 7.682 10.849 -0.583 1.00 0.00 O ATOM 239 CB SER A 15 8.376 12.502 -3.431 1.00 0.00 C ATOM 240 OG SER A 15 8.126 12.535 -4.824 1.00 0.00 O ATOM 0 H SER A 15 5.999 13.126 -3.787 1.00 0.00 H new ATOM 0 HA SER A 15 7.231 10.777 -2.983 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.511 13.517 -3.057 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.303 11.964 -3.236 1.00 0.00 H new ATOM 0 HG SER A 15 8.875 12.972 -5.281 1.00 0.00 H new ATOM 246 N THR A 16 7.137 13.022 -0.520 1.00 0.00 N ATOM 247 CA THR A 16 7.233 13.133 0.935 1.00 0.00 C ATOM 248 C THR A 16 6.435 12.030 1.637 1.00 0.00 C ATOM 249 O THR A 16 6.935 11.419 2.579 1.00 0.00 O ATOM 250 CB THR A 16 6.708 14.502 1.391 1.00 0.00 C ATOM 251 OG1 THR A 16 7.383 15.541 0.711 1.00 0.00 O ATOM 252 CG2 THR A 16 6.866 14.680 2.904 1.00 0.00 C ATOM 0 H THR A 16 6.855 13.886 -0.983 1.00 0.00 H new ATOM 0 HA THR A 16 8.283 13.025 1.206 1.00 0.00 H new ATOM 0 HB THR A 16 5.646 14.548 1.150 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.753 16.014 0.129 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.486 15.659 3.197 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.305 13.903 3.422 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.920 14.606 3.171 1.00 0.00 H new ATOM 260 N MET A 17 5.211 11.758 1.190 1.00 0.00 N ATOM 261 CA MET A 17 4.383 10.705 1.752 1.00 0.00 C ATOM 262 C MET A 17 5.092 9.352 1.592 1.00 0.00 C ATOM 263 O MET A 17 5.176 8.587 2.552 1.00 0.00 O ATOM 264 CB MET A 17 3.024 10.750 1.045 1.00 0.00 C ATOM 265 CG MET A 17 1.909 10.007 1.768 1.00 0.00 C ATOM 266 SD MET A 17 0.842 11.034 2.819 1.00 0.00 S ATOM 267 CE MET A 17 -0.750 10.325 2.315 1.00 0.00 C ATOM 0 H MET A 17 4.768 12.266 0.425 1.00 0.00 H new ATOM 0 HA MET A 17 4.220 10.847 2.820 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.728 11.792 0.921 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.135 10.329 0.046 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.287 9.508 1.025 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.356 9.227 2.385 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.494 10.516 3.088 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.072 10.783 1.380 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.641 9.250 2.174 1.00 0.00 H new ATOM 277 N ARG A 18 5.710 9.105 0.430 1.00 0.00 N ATOM 278 CA ARG A 18 6.348 7.838 0.074 1.00 0.00 C ATOM 279 C ARG A 18 7.601 7.648 0.923 1.00 0.00 C ATOM 280 O ARG A 18 7.862 6.579 1.475 1.00 0.00 O ATOM 281 CB ARG A 18 6.655 7.904 -1.438 1.00 0.00 C ATOM 282 CG ARG A 18 6.657 6.550 -2.161 1.00 0.00 C ATOM 283 CD ARG A 18 7.850 5.671 -1.786 1.00 0.00 C ATOM 284 NE ARG A 18 9.107 6.380 -2.068 1.00 0.00 N ATOM 285 CZ ARG A 18 10.344 5.909 -1.948 1.00 0.00 C ATOM 286 NH1 ARG A 18 10.548 4.682 -1.479 1.00 0.00 N ATOM 287 NH2 ARG A 18 11.364 6.657 -2.345 1.00 0.00 N ATOM 0 H ARG A 18 5.780 9.805 -0.309 1.00 0.00 H new ATOM 0 HA ARG A 18 5.708 6.978 0.270 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.919 8.552 -1.915 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.629 8.373 -1.575 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.734 6.019 -1.927 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.663 6.720 -3.238 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.800 5.408 -0.729 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.815 4.738 -2.348 1.00 0.00 H new ATOM 0 HE ARG A 18 9.020 7.343 -2.393 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.754 4.100 -1.211 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.498 4.322 -1.388 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.195 7.583 -2.737 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.318 6.306 -2.258 1.00 0.00 H new ATOM 301 N ARG A 19 8.378 8.725 1.050 1.00 0.00 N ATOM 302 CA ARG A 19 9.526 8.879 1.925 1.00 0.00 C ATOM 303 C ARG A 19 9.140 8.514 3.344 1.00 0.00 C ATOM 304 O ARG A 19 9.835 7.693 3.942 1.00 0.00 O ATOM 305 CB ARG A 19 10.019 10.329 1.846 1.00 0.00 C ATOM 306 CG ARG A 19 10.755 10.606 0.530 1.00 0.00 C ATOM 307 CD ARG A 19 12.212 10.936 0.820 1.00 0.00 C ATOM 308 NE ARG A 19 12.411 12.366 1.079 1.00 0.00 N ATOM 309 CZ ARG A 19 13.599 12.974 1.096 1.00 0.00 C ATOM 310 NH1 ARG A 19 14.719 12.260 1.163 1.00 0.00 N ATOM 311 NH2 ARG A 19 13.636 14.299 1.029 1.00 0.00 N ATOM 0 H ARG A 19 8.204 9.568 0.503 1.00 0.00 H new ATOM 0 HA ARG A 19 10.331 8.214 1.611 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.171 11.007 1.939 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.684 10.534 2.685 1.00 0.00 H new ATOM 0 HG2 ARG A 19 10.692 9.736 -0.124 1.00 0.00 H new ATOM 0 HG3 ARG A 19 10.281 11.435 0.004 1.00 0.00 H new ATOM 0 HD2 ARG A 19 12.549 10.361 1.683 1.00 0.00 H new ATOM 0 HD3 ARG A 19 12.828 10.632 -0.026 1.00 0.00 H new ATOM 0 HE ARG A 19 11.584 12.935 1.259 1.00 0.00 H new ATOM 0 HH11 ARG A 19 14.673 11.242 1.202 1.00 0.00 H new ATOM 0 HH12 ARG A 19 15.624 12.731 1.176 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.768 14.831 0.966 1.00 0.00 H new ATOM 0 HH22 ARG A 19 14.532 14.785 1.040 1.00 0.00 H new ATOM 325 N ILE A 20 8.064 9.113 3.864 1.00 0.00 N ATOM 326 CA ILE A 20 7.531 8.818 5.180 1.00 0.00 C ATOM 327 C ILE A 20 7.240 7.319 5.254 1.00 0.00 C ATOM 328 O ILE A 20 7.888 6.663 6.055 1.00 0.00 O ATOM 329 CB ILE A 20 6.361 9.771 5.556 1.00 0.00 C ATOM 330 CG1 ILE A 20 6.881 10.984 6.363 1.00 0.00 C ATOM 331 CG2 ILE A 20 5.311 9.097 6.448 1.00 0.00 C ATOM 332 CD1 ILE A 20 7.675 12.008 5.555 1.00 0.00 C ATOM 0 H ILE A 20 7.535 9.829 3.365 1.00 0.00 H new ATOM 0 HA ILE A 20 8.260 9.026 5.963 1.00 0.00 H new ATOM 0 HB ILE A 20 5.916 10.067 4.606 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.030 11.487 6.822 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.510 10.618 7.174 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.518 9.809 6.679 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.887 8.239 5.926 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.780 8.764 7.374 1.00 0.00 H new ATOM 0 HD11 ILE A 20 7.995 12.819 6.209 1.00 0.00 H new ATOM 0 HD12 ILE A 20 8.550 11.527 5.118 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.047 12.410 4.760 1.00 0.00 H new ATOM 344 N VAL A 21 6.338 6.756 4.445 1.00 0.00 N ATOM 345 CA VAL A 21 5.941 5.347 4.549 1.00 0.00 C ATOM 346 C VAL A 21 7.172 4.434 4.545 1.00 0.00 C ATOM 347 O VAL A 21 7.303 3.582 5.425 1.00 0.00 O ATOM 348 CB VAL A 21 4.942 4.985 3.427 1.00 0.00 C ATOM 349 CG1 VAL A 21 4.625 3.482 3.404 1.00 0.00 C ATOM 350 CG2 VAL A 21 3.618 5.730 3.624 1.00 0.00 C ATOM 0 H VAL A 21 5.862 7.263 3.699 1.00 0.00 H new ATOM 0 HA VAL A 21 5.433 5.192 5.501 1.00 0.00 H new ATOM 0 HB VAL A 21 5.416 5.273 2.489 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.919 3.271 2.601 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.543 2.919 3.237 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.187 3.188 4.358 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.927 5.462 2.824 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.185 5.454 4.585 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.799 6.805 3.603 1.00 0.00 H new ATOM 360 N ARG A 22 8.107 4.633 3.609 1.00 0.00 N ATOM 361 CA ARG A 22 9.358 3.881 3.562 1.00 0.00 C ATOM 362 C ARG A 22 10.120 4.017 4.882 1.00 0.00 C ATOM 363 O ARG A 22 10.562 3.006 5.421 1.00 0.00 O ATOM 364 CB ARG A 22 10.198 4.369 2.374 1.00 0.00 C ATOM 365 CG ARG A 22 11.503 3.572 2.202 1.00 0.00 C ATOM 366 CD ARG A 22 12.526 4.341 1.353 1.00 0.00 C ATOM 367 NE ARG A 22 13.698 4.774 2.135 1.00 0.00 N ATOM 368 CZ ARG A 22 13.796 5.806 2.984 1.00 0.00 C ATOM 369 NH1 ARG A 22 12.752 6.586 3.238 1.00 0.00 N ATOM 370 NH2 ARG A 22 14.949 6.068 3.594 1.00 0.00 N ATOM 0 H ARG A 22 8.014 5.322 2.863 1.00 0.00 H new ATOM 0 HA ARG A 22 9.141 2.822 3.423 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.607 4.293 1.461 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.437 5.424 2.512 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.930 3.356 3.181 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.285 2.613 1.731 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.857 3.710 0.528 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.045 5.214 0.913 1.00 0.00 H new ATOM 0 HE ARG A 22 14.543 4.216 2.014 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.857 6.404 2.784 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.845 7.367 3.887 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.765 5.482 3.416 1.00 0.00 H new ATOM 0 HH22 ARG A 22 15.017 6.855 4.239 1.00 0.00 H new ATOM 384 N ASN A 23 10.310 5.238 5.385 1.00 0.00 N ATOM 385 CA ASN A 23 11.016 5.474 6.640 1.00 0.00 C ATOM 386 C ASN A 23 10.305 4.778 7.799 1.00 0.00 C ATOM 387 O ASN A 23 10.969 4.164 8.618 1.00 0.00 O ATOM 388 CB ASN A 23 11.170 6.977 6.925 1.00 0.00 C ATOM 389 CG ASN A 23 11.906 7.197 8.244 1.00 0.00 C ATOM 390 OD1 ASN A 23 13.105 6.943 8.347 1.00 0.00 O ATOM 391 ND2 ASN A 23 11.238 7.689 9.271 1.00 0.00 N ATOM 0 H ASN A 23 9.978 6.089 4.932 1.00 0.00 H new ATOM 0 HA ASN A 23 12.015 5.050 6.541 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.718 7.453 6.112 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.188 7.448 6.967 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.716 7.860 10.156 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.244 7.898 9.180 1.00 0.00 H new ATOM 398 N LEU A 24 8.972 4.836 7.870 1.00 0.00 N ATOM 399 CA LEU A 24 8.186 4.196 8.923 1.00 0.00 C ATOM 400 C LEU A 24 8.339 2.675 8.874 1.00 0.00 C ATOM 401 O LEU A 24 8.412 2.031 9.916 1.00 0.00 O ATOM 402 CB LEU A 24 6.696 4.554 8.793 1.00 0.00 C ATOM 403 CG LEU A 24 6.350 6.049 8.922 1.00 0.00 C ATOM 404 CD1 LEU A 24 4.849 6.214 8.666 1.00 0.00 C ATOM 405 CD2 LEU A 24 6.809 6.672 10.247 1.00 0.00 C ATOM 0 H LEU A 24 8.403 5.336 7.187 1.00 0.00 H new ATOM 0 HA LEU A 24 8.563 4.565 9.877 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.340 4.201 7.825 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.143 4.006 9.555 1.00 0.00 H new ATOM 0 HG LEU A 24 6.909 6.609 8.172 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.579 7.266 8.752 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.610 5.859 7.664 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.289 5.635 9.400 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.532 7.726 10.269 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.330 6.154 11.078 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.891 6.579 10.337 1.00 0.00 H new ATOM 417 N LEU A 25 8.376 2.087 7.678 1.00 0.00 N ATOM 418 CA LEU A 25 8.627 0.660 7.513 1.00 0.00 C ATOM 419 C LEU A 25 10.036 0.311 7.981 1.00 0.00 C ATOM 420 O LEU A 25 10.192 -0.609 8.782 1.00 0.00 O ATOM 421 CB LEU A 25 8.387 0.257 6.052 1.00 0.00 C ATOM 422 CG LEU A 25 6.878 0.150 5.773 1.00 0.00 C ATOM 423 CD1 LEU A 25 6.570 0.351 4.292 1.00 0.00 C ATOM 424 CD2 LEU A 25 6.342 -1.210 6.235 1.00 0.00 C ATOM 0 H LEU A 25 8.233 2.587 6.800 1.00 0.00 H new ATOM 0 HA LEU A 25 7.933 0.092 8.133 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.836 0.993 5.385 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.871 -0.698 5.846 1.00 0.00 H new ATOM 0 HG LEU A 25 6.383 0.941 6.336 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.495 0.269 4.129 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.910 1.339 3.980 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.085 -0.411 3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.273 -1.268 6.030 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.858 -2.006 5.698 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.513 -1.324 7.305 1.00 0.00 H new ATOM 436 N LYS A 26 11.044 1.071 7.539 1.00 0.00 N ATOM 437 CA LYS A 26 12.439 0.897 7.942 1.00 0.00 C ATOM 438 C LYS A 26 12.592 1.037 9.457 1.00 0.00 C ATOM 439 O LYS A 26 13.332 0.257 10.050 1.00 0.00 O ATOM 440 CB LYS A 26 13.325 1.916 7.205 1.00 0.00 C ATOM 441 CG LYS A 26 13.484 1.614 5.701 1.00 0.00 C ATOM 442 CD LYS A 26 14.692 0.721 5.379 1.00 0.00 C ATOM 443 CE LYS A 26 15.993 1.525 5.504 1.00 0.00 C ATOM 444 NZ LYS A 26 17.190 0.746 5.132 1.00 0.00 N ATOM 0 H LYS A 26 10.908 1.837 6.880 1.00 0.00 H new ATOM 0 HA LYS A 26 12.759 -0.109 7.670 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.898 2.912 7.325 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.310 1.934 7.671 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.577 1.130 5.338 1.00 0.00 H new ATOM 0 HG3 LYS A 26 13.582 2.554 5.158 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.715 -0.131 6.059 1.00 0.00 H new ATOM 0 HD3 LYS A 26 14.599 0.321 4.369 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.930 2.409 4.869 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.099 1.876 6.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.037 1.340 5.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.271 -0.084 5.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.107 0.432 4.144 1.00 0.00 H new ATOM 458 N GLU A 27 11.886 1.978 10.090 1.00 0.00 N ATOM 459 CA GLU A 27 11.867 2.159 11.538 1.00 0.00 C ATOM 460 C GLU A 27 11.456 0.853 12.204 1.00 0.00 C ATOM 461 O GLU A 27 12.136 0.398 13.124 1.00 0.00 O ATOM 462 CB GLU A 27 10.882 3.266 11.950 1.00 0.00 C ATOM 463 CG GLU A 27 11.345 4.690 11.627 1.00 0.00 C ATOM 464 CD GLU A 27 11.796 5.444 12.873 1.00 0.00 C ATOM 465 OE1 GLU A 27 12.640 4.931 13.646 1.00 0.00 O ATOM 466 OE2 GLU A 27 11.270 6.557 13.108 1.00 0.00 O ATOM 0 H GLU A 27 11.299 2.649 9.595 1.00 0.00 H new ATOM 0 HA GLU A 27 12.867 2.451 11.858 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.928 3.088 11.453 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.702 3.192 13.022 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.166 4.650 10.911 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.531 5.235 11.149 1.00 0.00 H new ATOM 473 N LEU A 28 10.345 0.255 11.763 1.00 0.00 N ATOM 474 CA LEU A 28 9.878 -1.017 12.306 1.00 0.00 C ATOM 475 C LEU A 28 10.926 -2.095 12.036 1.00 0.00 C ATOM 476 O LEU A 28 11.334 -2.794 12.965 1.00 0.00 O ATOM 477 CB LEU A 28 8.501 -1.407 11.743 1.00 0.00 C ATOM 478 CG LEU A 28 7.380 -0.428 12.138 1.00 0.00 C ATOM 479 CD1 LEU A 28 6.109 -0.760 11.350 1.00 0.00 C ATOM 480 CD2 LEU A 28 7.092 -0.450 13.645 1.00 0.00 C ATOM 0 H LEU A 28 9.752 0.637 11.027 1.00 0.00 H new ATOM 0 HA LEU A 28 9.748 -0.913 13.383 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.562 -1.458 10.656 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.242 -2.406 12.095 1.00 0.00 H new ATOM 0 HG LEU A 28 7.716 0.579 11.893 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.316 -0.067 11.630 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.309 -0.670 10.282 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.796 -1.779 11.576 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.294 0.257 13.873 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.784 -1.453 13.942 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.992 -0.170 14.192 1.00 0.00 H new ATOM 492 N GLY A 29 11.407 -2.172 10.797 1.00 0.00 N ATOM 493 CA GLY A 29 12.489 -3.029 10.344 1.00 0.00 C ATOM 494 C GLY A 29 12.198 -3.642 8.976 1.00 0.00 C ATOM 495 O GLY A 29 13.130 -4.132 8.332 1.00 0.00 O ATOM 0 H GLY A 29 11.026 -1.602 10.042 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.412 -2.452 10.294 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.650 -3.825 11.071 1.00 0.00 H new ATOM 499 N PHE A 30 10.937 -3.633 8.534 1.00 0.00 N ATOM 500 CA PHE A 30 10.491 -4.151 7.244 1.00 0.00 C ATOM 501 C PHE A 30 11.102 -3.318 6.117 1.00 0.00 C ATOM 502 O PHE A 30 11.116 -2.088 6.203 1.00 0.00 O ATOM 503 CB PHE A 30 8.961 -4.123 7.187 1.00 0.00 C ATOM 504 CG PHE A 30 8.294 -5.162 8.073 1.00 0.00 C ATOM 505 CD1 PHE A 30 8.437 -6.532 7.773 1.00 0.00 C ATOM 506 CD2 PHE A 30 7.543 -4.774 9.198 1.00 0.00 C ATOM 507 CE1 PHE A 30 7.846 -7.505 8.599 1.00 0.00 C ATOM 508 CE2 PHE A 30 6.944 -5.749 10.019 1.00 0.00 C ATOM 509 CZ PHE A 30 7.102 -7.115 9.726 1.00 0.00 C ATOM 0 H PHE A 30 10.172 -3.249 9.089 1.00 0.00 H new ATOM 0 HA PHE A 30 10.821 -5.182 7.121 1.00 0.00 H new ATOM 0 HB2 PHE A 30 8.614 -3.132 7.481 1.00 0.00 H new ATOM 0 HB3 PHE A 30 8.642 -4.280 6.156 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.003 -6.836 6.905 1.00 0.00 H new ATOM 0 HD2 PHE A 30 7.426 -3.726 9.432 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.964 -8.553 8.367 1.00 0.00 H new ATOM 0 HE2 PHE A 30 6.361 -5.446 10.877 1.00 0.00 H new ATOM 0 HZ PHE A 30 6.653 -7.862 10.364 1.00 0.00 H new ATOM 519 N ASN A 31 11.652 -3.959 5.079 1.00 0.00 N ATOM 520 CA ASN A 31 12.482 -3.246 4.108 1.00 0.00 C ATOM 521 C ASN A 31 12.612 -3.964 2.761 1.00 0.00 C ATOM 522 O ASN A 31 12.017 -5.015 2.538 1.00 0.00 O ATOM 523 CB ASN A 31 13.864 -2.954 4.717 1.00 0.00 C ATOM 524 CG ASN A 31 14.869 -4.079 4.518 1.00 0.00 C ATOM 525 OD1 ASN A 31 15.887 -3.866 3.866 1.00 0.00 O ATOM 526 ND2 ASN A 31 14.626 -5.268 5.031 1.00 0.00 N ATOM 0 H ASN A 31 11.538 -4.955 4.893 1.00 0.00 H new ATOM 0 HA ASN A 31 11.973 -2.308 3.887 1.00 0.00 H new ATOM 0 HB2 ASN A 31 14.261 -2.041 4.274 1.00 0.00 H new ATOM 0 HB3 ASN A 31 13.749 -2.766 5.784 1.00 0.00 H new ATOM 0 HD21 ASN A 31 15.289 -6.030 4.889 1.00 0.00 H new ATOM 0 HD22 ASN A 31 13.775 -5.427 5.570 1.00 0.00 H new ATOM 533 N ASN A 32 13.427 -3.369 1.884 1.00 0.00 N ATOM 534 CA ASN A 32 13.466 -3.515 0.434 1.00 0.00 C ATOM 535 C ASN A 32 12.146 -3.046 -0.138 1.00 0.00 C ATOM 536 O ASN A 32 11.249 -3.846 -0.403 1.00 0.00 O ATOM 537 CB ASN A 32 13.858 -4.911 -0.079 1.00 0.00 C ATOM 538 CG ASN A 32 14.547 -4.796 -1.436 1.00 0.00 C ATOM 539 OD1 ASN A 32 15.457 -3.992 -1.608 1.00 0.00 O ATOM 540 ND2 ASN A 32 14.200 -5.593 -2.422 1.00 0.00 N ATOM 0 H ASN A 32 14.140 -2.714 2.206 1.00 0.00 H new ATOM 0 HA ASN A 32 14.281 -2.886 0.076 1.00 0.00 H new ATOM 0 HB2 ASN A 32 14.523 -5.396 0.635 1.00 0.00 H new ATOM 0 HB3 ASN A 32 12.971 -5.538 -0.165 1.00 0.00 H new ATOM 0 HD21 ASN A 32 14.686 -5.538 -3.317 1.00 0.00 H new ATOM 0 HD22 ASN A 32 13.445 -6.266 -2.292 1.00 0.00 H new ATOM 547 N VAL A 33 11.998 -1.731 -0.275 1.00 0.00 N ATOM 548 CA VAL A 33 10.854 -1.227 -1.004 1.00 0.00 C ATOM 549 C VAL A 33 11.165 -1.232 -2.502 1.00 0.00 C ATOM 550 O VAL A 33 12.328 -1.246 -2.913 1.00 0.00 O ATOM 551 CB VAL A 33 10.389 0.150 -0.492 1.00 0.00 C ATOM 552 CG1 VAL A 33 9.931 0.079 0.975 1.00 0.00 C ATOM 553 CG2 VAL A 33 11.455 1.240 -0.637 1.00 0.00 C ATOM 0 H VAL A 33 12.633 -1.024 0.096 1.00 0.00 H new ATOM 0 HA VAL A 33 10.007 -1.890 -0.829 1.00 0.00 H new ATOM 0 HB VAL A 33 9.546 0.425 -1.126 1.00 0.00 H new ATOM 0 HG11 VAL A 33 9.610 1.067 1.304 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.100 -0.621 1.063 1.00 0.00 H new ATOM 0 HG13 VAL A 33 10.758 -0.260 1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 33 11.064 2.184 -0.258 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.341 0.960 -0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.720 1.353 -1.688 1.00 0.00 H new ATOM 563 N GLU A 34 10.123 -1.179 -3.313 1.00 0.00 N ATOM 564 CA GLU A 34 10.162 -0.736 -4.690 1.00 0.00 C ATOM 565 C GLU A 34 9.324 0.536 -4.670 1.00 0.00 C ATOM 566 O GLU A 34 8.349 0.634 -3.915 1.00 0.00 O ATOM 567 CB GLU A 34 9.535 -1.769 -5.638 1.00 0.00 C ATOM 568 CG GLU A 34 10.429 -2.981 -5.909 1.00 0.00 C ATOM 569 CD GLU A 34 11.614 -2.753 -6.857 1.00 0.00 C ATOM 570 OE1 GLU A 34 11.614 -1.826 -7.699 1.00 0.00 O ATOM 571 OE2 GLU A 34 12.528 -3.614 -6.837 1.00 0.00 O ATOM 0 H GLU A 34 9.188 -1.456 -3.014 1.00 0.00 H new ATOM 0 HA GLU A 34 11.180 -0.587 -5.049 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.592 -2.113 -5.213 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.300 -1.284 -6.585 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.817 -3.340 -4.956 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.810 -3.778 -6.321 1.00 0.00 H new ATOM 578 N GLU A 35 9.674 1.500 -5.507 1.00 0.00 N ATOM 579 CA GLU A 35 8.725 2.524 -5.897 1.00 0.00 C ATOM 580 C GLU A 35 8.117 2.105 -7.223 1.00 0.00 C ATOM 581 O GLU A 35 8.687 1.281 -7.947 1.00 0.00 O ATOM 582 CB GLU A 35 9.416 3.881 -6.052 1.00 0.00 C ATOM 583 CG GLU A 35 9.930 4.409 -4.712 1.00 0.00 C ATOM 584 CD GLU A 35 11.420 4.150 -4.501 1.00 0.00 C ATOM 585 OE1 GLU A 35 12.241 4.809 -5.174 1.00 0.00 O ATOM 586 OE2 GLU A 35 11.807 3.374 -3.594 1.00 0.00 O ATOM 0 H GLU A 35 10.600 1.593 -5.925 1.00 0.00 H new ATOM 0 HA GLU A 35 7.958 2.628 -5.130 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.248 3.788 -6.750 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.717 4.598 -6.482 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.741 5.481 -4.654 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.368 3.942 -3.904 1.00 0.00 H new ATOM 593 N ALA A 36 7.009 2.743 -7.572 1.00 0.00 N ATOM 594 CA ALA A 36 6.535 2.826 -8.933 1.00 0.00 C ATOM 595 C ALA A 36 6.372 4.311 -9.238 1.00 0.00 C ATOM 596 O ALA A 36 6.415 5.148 -8.329 1.00 0.00 O ATOM 597 CB ALA A 36 5.234 2.041 -9.102 1.00 0.00 C ATOM 0 H ALA A 36 6.409 3.223 -6.901 1.00 0.00 H new ATOM 0 HA ALA A 36 7.236 2.377 -9.637 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.895 2.117 -10.135 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.406 0.994 -8.853 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.473 2.452 -8.439 1.00 0.00 H new ATOM 603 N GLU A 37 6.184 4.636 -10.508 1.00 0.00 N ATOM 604 CA GLU A 37 5.986 6.012 -10.935 1.00 0.00 C ATOM 605 C GLU A 37 4.556 6.467 -10.657 1.00 0.00 C ATOM 606 O GLU A 37 4.303 7.664 -10.520 1.00 0.00 O ATOM 607 CB GLU A 37 6.257 6.142 -12.442 1.00 0.00 C ATOM 608 CG GLU A 37 7.620 5.575 -12.857 1.00 0.00 C ATOM 609 CD GLU A 37 8.182 6.331 -14.049 1.00 0.00 C ATOM 610 OE1 GLU A 37 7.840 5.994 -15.201 1.00 0.00 O ATOM 611 OE2 GLU A 37 8.980 7.273 -13.826 1.00 0.00 O ATOM 0 H GLU A 37 6.164 3.956 -11.268 1.00 0.00 H new ATOM 0 HA GLU A 37 6.680 6.638 -10.374 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.472 5.624 -12.993 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.205 7.193 -12.725 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.315 5.639 -12.020 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.518 4.519 -13.106 1.00 0.00 H new ATOM 618 N ASP A 38 3.605 5.531 -10.635 1.00 0.00 N ATOM 619 CA ASP A 38 2.183 5.786 -10.827 1.00 0.00 C ATOM 620 C ASP A 38 1.433 4.466 -10.632 1.00 0.00 C ATOM 621 O ASP A 38 2.039 3.416 -10.817 1.00 0.00 O ATOM 622 CB ASP A 38 2.020 6.248 -12.284 1.00 0.00 C ATOM 623 CG ASP A 38 0.566 6.392 -12.694 1.00 0.00 C ATOM 624 OD1 ASP A 38 -0.038 7.411 -12.315 1.00 0.00 O ATOM 625 OD2 ASP A 38 0.095 5.517 -13.451 1.00 0.00 O ATOM 0 H ASP A 38 3.814 4.545 -10.478 1.00 0.00 H new ATOM 0 HA ASP A 38 1.799 6.531 -10.130 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.527 7.204 -12.417 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.510 5.533 -12.945 1.00 0.00 H new ATOM 630 N GLY A 39 0.142 4.484 -10.297 1.00 0.00 N ATOM 631 CA GLY A 39 -0.739 3.315 -10.277 1.00 0.00 C ATOM 632 C GLY A 39 -0.577 2.365 -11.474 1.00 0.00 C ATOM 633 O GLY A 39 -0.476 1.153 -11.279 1.00 0.00 O ATOM 0 H GLY A 39 -0.336 5.343 -10.023 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.556 2.755 -9.360 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.773 3.658 -10.240 1.00 0.00 H new ATOM 637 N VAL A 40 -0.500 2.867 -12.709 1.00 0.00 N ATOM 638 CA VAL A 40 -0.338 2.010 -13.885 1.00 0.00 C ATOM 639 C VAL A 40 1.025 1.299 -13.847 1.00 0.00 C ATOM 640 O VAL A 40 1.135 0.132 -14.247 1.00 0.00 O ATOM 641 CB VAL A 40 -0.511 2.838 -15.176 1.00 0.00 C ATOM 642 CG1 VAL A 40 -0.425 1.923 -16.400 1.00 0.00 C ATOM 643 CG2 VAL A 40 -1.866 3.565 -15.239 1.00 0.00 C ATOM 0 H VAL A 40 -0.547 3.864 -12.920 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.111 1.242 -13.875 1.00 0.00 H new ATOM 0 HB VAL A 40 0.287 3.580 -15.171 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.548 2.516 -17.307 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.547 1.430 -16.418 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.212 1.171 -16.348 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.932 4.131 -16.168 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.673 2.834 -15.201 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.953 4.246 -14.392 1.00 0.00 H new ATOM 653 N ASP A 41 2.067 1.985 -13.365 1.00 0.00 N ATOM 654 CA ASP A 41 3.374 1.376 -13.130 1.00 0.00 C ATOM 655 C ASP A 41 3.307 0.426 -11.936 1.00 0.00 C ATOM 656 O ASP A 41 3.974 -0.603 -11.939 1.00 0.00 O ATOM 657 CB ASP A 41 4.462 2.439 -12.909 1.00 0.00 C ATOM 658 CG ASP A 41 5.858 1.812 -12.812 1.00 0.00 C ATOM 659 OD1 ASP A 41 6.155 0.803 -13.484 1.00 0.00 O ATOM 660 OD2 ASP A 41 6.701 2.310 -12.034 1.00 0.00 O ATOM 0 H ASP A 41 2.025 2.976 -13.128 1.00 0.00 H new ATOM 0 HA ASP A 41 3.643 0.809 -14.021 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.442 3.156 -13.730 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.248 2.994 -11.995 1.00 0.00 H new ATOM 665 N ALA A 42 2.465 0.704 -10.935 1.00 0.00 N ATOM 666 CA ALA A 42 2.307 -0.144 -9.772 1.00 0.00 C ATOM 667 C ALA A 42 1.869 -1.523 -10.237 1.00 0.00 C ATOM 668 O ALA A 42 2.541 -2.498 -9.920 1.00 0.00 O ATOM 669 CB ALA A 42 1.324 0.461 -8.760 1.00 0.00 C ATOM 0 H ALA A 42 1.873 1.534 -10.919 1.00 0.00 H new ATOM 0 HA ALA A 42 3.260 -0.228 -9.249 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.231 -0.203 -7.901 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.693 1.432 -8.430 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.348 0.585 -9.230 1.00 0.00 H new ATOM 675 N LEU A 43 0.797 -1.605 -11.031 1.00 0.00 N ATOM 676 CA LEU A 43 0.291 -2.874 -11.548 1.00 0.00 C ATOM 677 C LEU A 43 1.357 -3.616 -12.368 1.00 0.00 C ATOM 678 O LEU A 43 1.489 -4.839 -12.252 1.00 0.00 O ATOM 679 CB LEU A 43 -0.979 -2.633 -12.379 1.00 0.00 C ATOM 680 CG LEU A 43 -1.794 -3.929 -12.554 1.00 0.00 C ATOM 681 CD1 LEU A 43 -2.716 -4.174 -11.352 1.00 0.00 C ATOM 682 CD2 LEU A 43 -2.642 -3.868 -13.823 1.00 0.00 C ATOM 0 H LEU A 43 0.258 -0.793 -11.331 1.00 0.00 H new ATOM 0 HA LEU A 43 0.039 -3.512 -10.701 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.595 -1.877 -11.892 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.705 -2.239 -13.358 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.081 -4.750 -12.629 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.277 -5.096 -11.506 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.117 -4.261 -10.446 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.410 -3.340 -11.250 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.209 -4.793 -13.927 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.331 -3.025 -13.760 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.992 -3.742 -14.689 1.00 0.00 H new ATOM 694 N ASN A 44 2.137 -2.891 -13.181 1.00 0.00 N ATOM 695 CA ASN A 44 3.273 -3.460 -13.914 1.00 0.00 C ATOM 696 C ASN A 44 4.238 -4.123 -12.940 1.00 0.00 C ATOM 697 O ASN A 44 4.593 -5.285 -13.128 1.00 0.00 O ATOM 698 CB ASN A 44 4.031 -2.401 -14.735 1.00 0.00 C ATOM 699 CG ASN A 44 3.495 -2.246 -16.143 1.00 0.00 C ATOM 700 OD1 ASN A 44 3.914 -2.970 -17.042 1.00 0.00 O ATOM 701 ND2 ASN A 44 2.592 -1.309 -16.369 1.00 0.00 N ATOM 0 H ASN A 44 1.997 -1.895 -13.348 1.00 0.00 H new ATOM 0 HA ASN A 44 2.869 -4.195 -14.610 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.971 -1.441 -14.222 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.086 -2.672 -14.782 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.224 -1.172 -17.310 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.263 -0.723 -15.602 1.00 0.00 H new ATOM 708 N LYS A 45 4.645 -3.402 -11.893 1.00 0.00 N ATOM 709 CA LYS A 45 5.568 -3.887 -10.873 1.00 0.00 C ATOM 710 C LYS A 45 5.038 -5.179 -10.249 1.00 0.00 C ATOM 711 O LYS A 45 5.785 -6.152 -10.160 1.00 0.00 O ATOM 712 CB LYS A 45 5.807 -2.796 -9.817 1.00 0.00 C ATOM 713 CG LYS A 45 6.435 -1.507 -10.369 1.00 0.00 C ATOM 714 CD LYS A 45 7.937 -1.478 -10.104 1.00 0.00 C ATOM 715 CE LYS A 45 8.615 -0.217 -10.629 1.00 0.00 C ATOM 716 NZ LYS A 45 8.451 0.013 -12.078 1.00 0.00 N ATOM 0 H LYS A 45 4.333 -2.444 -11.730 1.00 0.00 H new ATOM 0 HA LYS A 45 6.528 -4.117 -11.334 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.856 -2.549 -9.345 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.455 -3.197 -9.038 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.249 -1.437 -11.441 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.963 -0.640 -9.906 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.112 -1.557 -9.031 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.398 -2.350 -10.567 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.218 0.644 -10.091 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.680 -0.272 -10.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.776 0.972 -12.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.013 -0.685 -12.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.448 -0.086 -12.334 1.00 0.00 H new ATOM 730 N LEU A 46 3.754 -5.238 -9.872 1.00 0.00 N ATOM 731 CA LEU A 46 3.176 -6.452 -9.283 1.00 0.00 C ATOM 732 C LEU A 46 3.329 -7.628 -10.240 1.00 0.00 C ATOM 733 O LEU A 46 3.699 -8.727 -9.818 1.00 0.00 O ATOM 734 CB LEU A 46 1.674 -6.332 -8.968 1.00 0.00 C ATOM 735 CG LEU A 46 1.198 -5.014 -8.382 1.00 0.00 C ATOM 736 CD1 LEU A 46 -0.297 -5.056 -8.139 1.00 0.00 C ATOM 737 CD2 LEU A 46 1.916 -4.609 -7.102 1.00 0.00 C ATOM 0 H LEU A 46 3.098 -4.462 -9.964 1.00 0.00 H new ATOM 0 HA LEU A 46 3.720 -6.603 -8.351 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.119 -6.514 -9.888 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.409 -7.128 -8.272 1.00 0.00 H new ATOM 0 HG LEU A 46 1.441 -4.254 -9.125 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.624 -4.105 -7.719 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.814 -5.233 -9.082 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.530 -5.860 -7.441 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.519 -3.658 -6.747 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.761 -5.373 -6.341 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.983 -4.505 -7.300 1.00 0.00 H new ATOM 749 N GLN A 47 2.987 -7.402 -11.512 1.00 0.00 N ATOM 750 CA GLN A 47 2.983 -8.431 -12.541 1.00 0.00 C ATOM 751 C GLN A 47 4.381 -8.686 -13.119 1.00 0.00 C ATOM 752 O GLN A 47 4.515 -9.501 -14.038 1.00 0.00 O ATOM 753 CB GLN A 47 1.950 -8.084 -13.622 1.00 0.00 C ATOM 754 CG GLN A 47 0.535 -8.043 -13.025 1.00 0.00 C ATOM 755 CD GLN A 47 -0.558 -7.937 -14.080 1.00 0.00 C ATOM 756 OE1 GLN A 47 -1.245 -6.924 -14.176 1.00 0.00 O ATOM 757 NE2 GLN A 47 -0.767 -8.963 -14.886 1.00 0.00 N ATOM 0 H GLN A 47 2.702 -6.484 -11.855 1.00 0.00 H new ATOM 0 HA GLN A 47 2.687 -9.374 -12.081 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.191 -7.118 -14.066 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.991 -8.823 -14.423 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.372 -8.942 -12.431 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.459 -7.194 -12.345 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.194 -9.802 -14.802 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.502 -8.916 -15.592 1.00 0.00 H new ATOM 766 N ALA A 48 5.430 -8.055 -12.578 1.00 0.00 N ATOM 767 CA ALA A 48 6.789 -8.537 -12.743 1.00 0.00 C ATOM 768 C ALA A 48 6.858 -9.924 -12.096 1.00 0.00 C ATOM 769 O ALA A 48 7.134 -10.906 -12.784 1.00 0.00 O ATOM 770 CB ALA A 48 7.799 -7.553 -12.146 1.00 0.00 C ATOM 0 H ALA A 48 5.353 -7.205 -12.020 1.00 0.00 H new ATOM 0 HA ALA A 48 7.053 -8.616 -13.798 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.809 -7.940 -12.284 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.708 -6.589 -12.647 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.600 -7.429 -11.082 1.00 0.00 H new ATOM 776 N GLY A 49 6.525 -10.054 -10.806 1.00 0.00 N ATOM 777 CA GLY A 49 6.479 -11.371 -10.186 1.00 0.00 C ATOM 778 C GLY A 49 6.244 -11.335 -8.685 1.00 0.00 C ATOM 779 O GLY A 49 7.217 -11.350 -7.930 1.00 0.00 O ATOM 0 H GLY A 49 6.289 -9.278 -10.188 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.687 -11.955 -10.654 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.417 -11.889 -10.385 1.00 0.00 H new ATOM 783 N GLY A 50 4.970 -11.343 -8.282 1.00 0.00 N ATOM 784 CA GLY A 50 4.491 -11.742 -6.961 1.00 0.00 C ATOM 785 C GLY A 50 5.208 -11.086 -5.793 1.00 0.00 C ATOM 786 O GLY A 50 6.150 -11.660 -5.238 1.00 0.00 O ATOM 0 H GLY A 50 4.210 -11.057 -8.900 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.428 -11.511 -6.891 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.589 -12.824 -6.867 1.00 0.00 H new ATOM 790 N TYR A 51 4.784 -9.883 -5.424 1.00 0.00 N ATOM 791 CA TYR A 51 5.375 -9.128 -4.323 1.00 0.00 C ATOM 792 C TYR A 51 4.840 -9.562 -2.957 1.00 0.00 C ATOM 793 O TYR A 51 3.947 -10.404 -2.852 1.00 0.00 O ATOM 794 CB TYR A 51 5.121 -7.638 -4.573 1.00 0.00 C ATOM 795 CG TYR A 51 5.932 -7.004 -5.687 1.00 0.00 C ATOM 796 CD1 TYR A 51 6.946 -7.689 -6.396 1.00 0.00 C ATOM 797 CD2 TYR A 51 5.692 -5.651 -5.961 1.00 0.00 C ATOM 798 CE1 TYR A 51 7.732 -7.009 -7.339 1.00 0.00 C ATOM 799 CE2 TYR A 51 6.491 -4.961 -6.882 1.00 0.00 C ATOM 800 CZ TYR A 51 7.524 -5.632 -7.572 1.00 0.00 C ATOM 801 OH TYR A 51 8.326 -4.947 -8.431 1.00 0.00 O ATOM 0 H TYR A 51 4.013 -9.399 -5.884 1.00 0.00 H new ATOM 0 HA TYR A 51 6.446 -9.328 -4.295 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.063 -7.503 -4.798 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.322 -7.095 -3.649 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.116 -8.739 -6.211 1.00 0.00 H new ATOM 0 HD2 TYR A 51 4.886 -5.137 -5.459 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.497 -7.539 -7.887 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.316 -3.911 -7.065 1.00 0.00 H new ATOM 0 HH TYR A 51 7.873 -4.850 -9.295 1.00 0.00 H new ATOM 811 N GLY A 52 5.404 -8.971 -1.901 1.00 0.00 N ATOM 812 CA GLY A 52 4.840 -9.012 -0.571 1.00 0.00 C ATOM 813 C GLY A 52 3.704 -8.015 -0.471 1.00 0.00 C ATOM 814 O GLY A 52 2.546 -8.413 -0.422 1.00 0.00 O ATOM 0 H GLY A 52 6.277 -8.446 -1.958 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.477 -10.016 -0.350 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.607 -8.780 0.168 1.00 0.00 H new ATOM 818 N PHE A 53 4.036 -6.723 -0.435 1.00 0.00 N ATOM 819 CA PHE A 53 3.061 -5.670 -0.168 1.00 0.00 C ATOM 820 C PHE A 53 2.800 -4.818 -1.395 1.00 0.00 C ATOM 821 O PHE A 53 3.685 -4.619 -2.231 1.00 0.00 O ATOM 822 CB PHE A 53 3.544 -4.753 0.958 1.00 0.00 C ATOM 823 CG PHE A 53 3.363 -5.282 2.359 1.00 0.00 C ATOM 824 CD1 PHE A 53 4.161 -6.338 2.827 1.00 0.00 C ATOM 825 CD2 PHE A 53 2.457 -4.650 3.227 1.00 0.00 C ATOM 826 CE1 PHE A 53 4.083 -6.740 4.169 1.00 0.00 C ATOM 827 CE2 PHE A 53 2.405 -5.027 4.576 1.00 0.00 C ATOM 828 CZ PHE A 53 3.235 -6.055 5.054 1.00 0.00 C ATOM 0 H PHE A 53 4.984 -6.381 -0.590 1.00 0.00 H new ATOM 0 HA PHE A 53 2.138 -6.170 0.124 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.603 -4.545 0.803 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.017 -3.802 0.878 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.837 -6.842 2.152 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.802 -3.876 2.856 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.673 -7.574 4.520 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.725 -4.526 5.250 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.221 -6.318 6.101 1.00 0.00 H new ATOM 838 N VAL A 54 1.602 -4.233 -1.407 1.00 0.00 N ATOM 839 CA VAL A 54 1.166 -3.205 -2.333 1.00 0.00 C ATOM 840 C VAL A 54 0.647 -2.072 -1.455 1.00 0.00 C ATOM 841 O VAL A 54 -0.499 -2.098 -1.015 1.00 0.00 O ATOM 842 CB VAL A 54 0.101 -3.762 -3.305 1.00 0.00 C ATOM 843 CG1 VAL A 54 -0.004 -2.919 -4.576 1.00 0.00 C ATOM 844 CG2 VAL A 54 0.416 -5.191 -3.728 1.00 0.00 C ATOM 0 H VAL A 54 0.877 -4.481 -0.734 1.00 0.00 H new ATOM 0 HA VAL A 54 1.968 -2.846 -2.978 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.841 -3.732 -2.758 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.763 -3.344 -5.233 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.281 -1.898 -4.314 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.958 -2.913 -5.089 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.356 -5.547 -4.411 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.384 -5.217 -4.229 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.445 -5.833 -2.848 1.00 0.00 H new ATOM 854 N ILE A 55 1.517 -1.128 -1.110 1.00 0.00 N ATOM 855 CA ILE A 55 1.143 0.059 -0.357 1.00 0.00 C ATOM 856 C ILE A 55 1.043 1.184 -1.377 1.00 0.00 C ATOM 857 O ILE A 55 1.956 1.352 -2.193 1.00 0.00 O ATOM 858 CB ILE A 55 2.118 0.329 0.818 1.00 0.00 C ATOM 859 CG1 ILE A 55 2.487 -0.993 1.538 1.00 0.00 C ATOM 860 CG2 ILE A 55 1.493 1.361 1.774 1.00 0.00 C ATOM 861 CD1 ILE A 55 3.321 -0.875 2.815 1.00 0.00 C ATOM 0 H ILE A 55 2.508 -1.168 -1.348 1.00 0.00 H new ATOM 0 HA ILE A 55 0.183 -0.055 0.146 1.00 0.00 H new ATOM 0 HB ILE A 55 3.049 0.746 0.435 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.562 -1.515 1.784 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.031 -1.622 0.834 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.177 1.552 2.601 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.307 2.290 1.235 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.552 0.973 2.164 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.510 -1.869 3.219 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.270 -0.390 2.586 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.778 -0.281 3.551 1.00 0.00 H new ATOM 873 N SER A 56 -0.058 1.932 -1.388 1.00 0.00 N ATOM 874 CA SER A 56 -0.148 3.066 -2.297 1.00 0.00 C ATOM 875 C SER A 56 -1.049 4.155 -1.746 1.00 0.00 C ATOM 876 O SER A 56 -1.909 3.898 -0.903 1.00 0.00 O ATOM 877 CB SER A 56 -0.628 2.591 -3.683 1.00 0.00 C ATOM 878 OG SER A 56 -1.967 2.124 -3.660 1.00 0.00 O ATOM 0 H SER A 56 -0.875 1.779 -0.797 1.00 0.00 H new ATOM 0 HA SER A 56 0.846 3.501 -2.401 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.545 3.412 -4.395 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.026 1.794 -4.038 1.00 0.00 H new ATOM 0 HG SER A 56 -2.580 2.886 -3.716 1.00 0.00 H new ATOM 884 N ASP A 57 -0.908 5.352 -2.304 1.00 0.00 N ATOM 885 CA ASP A 57 -1.943 6.369 -2.239 1.00 0.00 C ATOM 886 C ASP A 57 -3.092 5.951 -3.179 1.00 0.00 C ATOM 887 O ASP A 57 -3.097 4.854 -3.756 1.00 0.00 O ATOM 888 CB ASP A 57 -1.319 7.745 -2.538 1.00 0.00 C ATOM 889 CG ASP A 57 -2.348 8.867 -2.652 1.00 0.00 C ATOM 890 OD1 ASP A 57 -3.157 9.063 -1.720 1.00 0.00 O ATOM 891 OD2 ASP A 57 -2.490 9.398 -3.767 1.00 0.00 O ATOM 0 H ASP A 57 -0.073 5.641 -2.813 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.380 6.460 -1.245 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.609 7.993 -1.749 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.754 7.685 -3.468 1.00 0.00 H new ATOM 896 N TRP A 58 -4.105 6.801 -3.293 1.00 0.00 N ATOM 897 CA TRP A 58 -5.336 6.636 -4.036 1.00 0.00 C ATOM 898 C TRP A 58 -5.470 7.651 -5.174 1.00 0.00 C ATOM 899 O TRP A 58 -6.091 7.366 -6.201 1.00 0.00 O ATOM 900 CB TRP A 58 -6.432 6.863 -2.996 1.00 0.00 C ATOM 901 CG TRP A 58 -7.845 6.860 -3.465 1.00 0.00 C ATOM 902 CD1 TRP A 58 -8.462 7.809 -4.204 1.00 0.00 C ATOM 903 CD2 TRP A 58 -8.858 5.880 -3.144 1.00 0.00 C ATOM 904 NE1 TRP A 58 -9.786 7.464 -4.374 1.00 0.00 N ATOM 905 CE2 TRP A 58 -10.098 6.305 -3.698 1.00 0.00 C ATOM 906 CE3 TRP A 58 -8.839 4.686 -2.406 1.00 0.00 C ATOM 907 CZ2 TRP A 58 -11.286 5.593 -3.487 1.00 0.00 C ATOM 908 CZ3 TRP A 58 -10.025 3.983 -2.168 1.00 0.00 C ATOM 909 CH2 TRP A 58 -11.239 4.436 -2.694 1.00 0.00 C ATOM 0 H TRP A 58 -4.077 7.705 -2.822 1.00 0.00 H new ATOM 0 HA TRP A 58 -5.384 5.657 -4.513 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -6.332 6.094 -2.230 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -6.242 7.821 -2.512 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -7.992 8.697 -4.599 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -10.451 8.000 -4.931 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -7.904 4.308 -2.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -12.216 5.926 -3.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -10.003 3.082 -1.573 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -12.148 3.891 -2.488 1.00 0.00 H new ATOM 920 N ASN A 59 -4.941 8.861 -4.972 1.00 0.00 N ATOM 921 CA ASN A 59 -5.275 10.099 -5.667 1.00 0.00 C ATOM 922 C ASN A 59 -4.685 10.204 -7.082 1.00 0.00 C ATOM 923 O ASN A 59 -4.486 11.306 -7.595 1.00 0.00 O ATOM 924 CB ASN A 59 -4.860 11.293 -4.782 1.00 0.00 C ATOM 925 CG ASN A 59 -5.852 12.436 -4.911 1.00 0.00 C ATOM 926 OD1 ASN A 59 -5.705 13.333 -5.738 1.00 0.00 O ATOM 927 ND2 ASN A 59 -6.913 12.421 -4.124 1.00 0.00 N ATOM 0 H ASN A 59 -4.217 9.007 -4.268 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.353 10.107 -5.825 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.799 10.975 -3.741 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.866 11.635 -5.069 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.616 13.156 -4.201 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -7.030 11.674 -3.439 1.00 0.00 H new ATOM 934 N MET A 60 -4.337 9.078 -7.696 1.00 0.00 N ATOM 935 CA MET A 60 -3.774 9.014 -9.037 1.00 0.00 C ATOM 936 C MET A 60 -4.874 9.225 -10.084 1.00 0.00 C ATOM 937 O MET A 60 -6.009 8.792 -9.854 1.00 0.00 O ATOM 938 CB MET A 60 -3.093 7.646 -9.242 1.00 0.00 C ATOM 939 CG MET A 60 -1.649 7.737 -9.747 1.00 0.00 C ATOM 940 SD MET A 60 -0.364 8.281 -8.572 1.00 0.00 S ATOM 941 CE MET A 60 -0.461 10.090 -8.704 1.00 0.00 C ATOM 0 H MET A 60 -4.442 8.161 -7.262 1.00 0.00 H new ATOM 0 HA MET A 60 -3.032 9.804 -9.155 1.00 0.00 H new ATOM 0 HB2 MET A 60 -3.103 7.102 -8.298 1.00 0.00 H new ATOM 0 HB3 MET A 60 -3.679 7.063 -9.952 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.364 6.754 -10.122 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.635 8.419 -10.597 1.00 0.00 H new ATOM 0 HE1 MET A 60 0.507 10.525 -8.455 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.732 10.366 -9.723 1.00 0.00 H new ATOM 0 HE3 MET A 60 -1.216 10.465 -8.013 1.00 0.00 H new ATOM 951 N PRO A 61 -4.561 9.849 -11.232 1.00 0.00 N ATOM 952 CA PRO A 61 -5.358 9.726 -12.445 1.00 0.00 C ATOM 953 C PRO A 61 -5.110 8.357 -13.106 1.00 0.00 C ATOM 954 O PRO A 61 -4.406 7.502 -12.570 1.00 0.00 O ATOM 955 CB PRO A 61 -4.897 10.899 -13.318 1.00 0.00 C ATOM 956 CG PRO A 61 -3.419 11.032 -12.967 1.00 0.00 C ATOM 957 CD PRO A 61 -3.389 10.682 -11.482 1.00 0.00 C ATOM 0 HA PRO A 61 -6.433 9.768 -12.268 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.042 10.694 -14.379 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.449 11.811 -13.091 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.801 10.353 -13.555 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.049 12.040 -13.152 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.473 10.150 -11.227 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.415 11.583 -10.870 1.00 0.00 H new ATOM 965 N ASN A 62 -5.652 8.169 -14.312 1.00 0.00 N ATOM 966 CA ASN A 62 -5.560 6.959 -15.132 1.00 0.00 C ATOM 967 C ASN A 62 -6.068 5.754 -14.343 1.00 0.00 C ATOM 968 O ASN A 62 -7.284 5.626 -14.171 1.00 0.00 O ATOM 969 CB ASN A 62 -4.154 6.762 -15.756 1.00 0.00 C ATOM 970 CG ASN A 62 -3.832 7.747 -16.870 1.00 0.00 C ATOM 971 OD1 ASN A 62 -4.604 8.658 -17.163 1.00 0.00 O ATOM 972 ND2 ASN A 62 -2.719 7.574 -17.558 1.00 0.00 N ATOM 0 H ASN A 62 -6.198 8.900 -14.768 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.215 7.074 -15.996 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.403 6.856 -14.972 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.080 5.748 -16.148 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.498 8.197 -18.335 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.080 6.817 -17.313 1.00 0.00 H new ATOM 979 N MET A 63 -5.178 4.876 -13.875 1.00 0.00 N ATOM 980 CA MET A 63 -5.523 3.774 -12.993 1.00 0.00 C ATOM 981 C MET A 63 -5.441 4.326 -11.577 1.00 0.00 C ATOM 982 O MET A 63 -4.392 4.254 -10.934 1.00 0.00 O ATOM 983 CB MET A 63 -4.607 2.570 -13.252 1.00 0.00 C ATOM 984 CG MET A 63 -4.982 1.352 -12.403 1.00 0.00 C ATOM 985 SD MET A 63 -4.106 -0.174 -12.845 1.00 0.00 S ATOM 986 CE MET A 63 -5.006 -0.589 -14.365 1.00 0.00 C ATOM 0 H MET A 63 -4.185 4.917 -14.105 1.00 0.00 H new ATOM 0 HA MET A 63 -6.529 3.393 -13.168 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.655 2.302 -14.307 1.00 0.00 H new ATOM 0 HB3 MET A 63 -3.575 2.851 -13.042 1.00 0.00 H new ATOM 0 HG2 MET A 63 -4.782 1.580 -11.356 1.00 0.00 H new ATOM 0 HG3 MET A 63 -6.054 1.179 -12.493 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.142 -1.669 -14.424 1.00 0.00 H new ATOM 0 HE2 MET A 63 -5.980 -0.100 -14.356 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.437 -0.248 -15.230 1.00 0.00 H new ATOM 996 N ASP A 64 -6.542 4.927 -11.132 1.00 0.00 N ATOM 997 CA ASP A 64 -6.653 5.462 -9.782 1.00 0.00 C ATOM 998 C ASP A 64 -6.529 4.336 -8.763 1.00 0.00 C ATOM 999 O ASP A 64 -6.813 3.181 -9.087 1.00 0.00 O ATOM 1000 CB ASP A 64 -7.969 6.227 -9.595 1.00 0.00 C ATOM 1001 CG ASP A 64 -9.147 5.378 -9.109 1.00 0.00 C ATOM 1002 OD1 ASP A 64 -9.328 5.266 -7.876 1.00 0.00 O ATOM 1003 OD2 ASP A 64 -9.960 4.919 -9.948 1.00 0.00 O ATOM 0 H ASP A 64 -7.380 5.056 -11.699 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.838 6.169 -9.624 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.804 7.035 -8.882 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.241 6.690 -10.544 1.00 0.00 H new ATOM 1008 N GLY A 65 -6.141 4.647 -7.527 1.00 0.00 N ATOM 1009 CA GLY A 65 -5.776 3.611 -6.573 1.00 0.00 C ATOM 1010 C GLY A 65 -6.922 2.664 -6.228 1.00 0.00 C ATOM 1011 O GLY A 65 -6.660 1.535 -5.808 1.00 0.00 O ATOM 0 H GLY A 65 -6.073 5.600 -7.169 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.947 3.031 -6.979 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.418 4.082 -5.658 1.00 0.00 H new ATOM 1015 N LEU A 66 -8.185 3.071 -6.406 1.00 0.00 N ATOM 1016 CA LEU A 66 -9.307 2.177 -6.169 1.00 0.00 C ATOM 1017 C LEU A 66 -9.498 1.223 -7.337 1.00 0.00 C ATOM 1018 O LEU A 66 -9.851 0.067 -7.113 1.00 0.00 O ATOM 1019 CB LEU A 66 -10.590 2.972 -5.885 1.00 0.00 C ATOM 1020 CG LEU A 66 -11.691 2.213 -5.113 1.00 0.00 C ATOM 1021 CD1 LEU A 66 -12.685 1.418 -5.953 1.00 0.00 C ATOM 1022 CD2 LEU A 66 -11.160 1.246 -4.052 1.00 0.00 C ATOM 0 H LEU A 66 -8.447 4.008 -6.711 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.083 1.579 -5.285 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.324 3.865 -5.319 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.005 3.309 -6.835 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.211 3.056 -4.657 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -13.407 0.931 -5.298 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.208 2.091 -6.632 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.151 0.663 -6.530 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -11.997 0.754 -3.557 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.528 0.496 -4.527 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.576 1.799 -3.316 1.00 0.00 H new ATOM 1034 N GLU A 67 -9.260 1.656 -8.575 1.00 0.00 N ATOM 1035 CA GLU A 67 -9.347 0.758 -9.720 1.00 0.00 C ATOM 1036 C GLU A 67 -8.074 -0.091 -9.860 1.00 0.00 C ATOM 1037 O GLU A 67 -8.160 -1.231 -10.308 1.00 0.00 O ATOM 1038 CB GLU A 67 -9.780 1.521 -10.979 1.00 0.00 C ATOM 1039 CG GLU A 67 -8.672 2.184 -11.804 1.00 0.00 C ATOM 1040 CD GLU A 67 -8.591 1.567 -13.199 1.00 0.00 C ATOM 1041 OE1 GLU A 67 -8.427 0.336 -13.333 1.00 0.00 O ATOM 1042 OE2 GLU A 67 -8.719 2.327 -14.184 1.00 0.00 O ATOM 0 H GLU A 67 -9.007 2.617 -8.807 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.138 0.026 -9.555 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.317 0.829 -11.627 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.489 2.293 -10.680 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.864 3.254 -11.885 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.715 2.069 -11.295 1.00 0.00 H new ATOM 1049 N LEU A 68 -6.926 0.392 -9.365 1.00 0.00 N ATOM 1050 CA LEU A 68 -5.714 -0.391 -9.128 1.00 0.00 C ATOM 1051 C LEU A 68 -6.049 -1.529 -8.168 1.00 0.00 C ATOM 1052 O LEU A 68 -5.835 -2.695 -8.499 1.00 0.00 O ATOM 1053 CB LEU A 68 -4.610 0.511 -8.544 1.00 0.00 C ATOM 1054 CG LEU A 68 -3.301 -0.218 -8.181 1.00 0.00 C ATOM 1055 CD1 LEU A 68 -2.571 -0.744 -9.420 1.00 0.00 C ATOM 1056 CD2 LEU A 68 -2.378 0.739 -7.419 1.00 0.00 C ATOM 0 H LEU A 68 -6.816 1.374 -9.111 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.346 -0.807 -10.066 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.383 1.296 -9.265 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.996 1.001 -7.650 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.562 -1.074 -7.559 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.655 -1.250 -9.115 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.214 -1.446 -9.950 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.324 0.089 -10.078 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.452 0.224 -7.162 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.152 1.602 -8.045 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.873 1.073 -6.507 1.00 0.00 H new ATOM 1068 N LEU A 69 -6.622 -1.194 -7.001 1.00 0.00 N ATOM 1069 CA LEU A 69 -7.133 -2.158 -6.036 1.00 0.00 C ATOM 1070 C LEU A 69 -8.084 -3.109 -6.756 1.00 0.00 C ATOM 1071 O LEU A 69 -7.838 -4.307 -6.756 1.00 0.00 O ATOM 1072 CB LEU A 69 -7.781 -1.435 -4.838 1.00 0.00 C ATOM 1073 CG LEU A 69 -8.682 -2.323 -3.958 1.00 0.00 C ATOM 1074 CD1 LEU A 69 -8.011 -3.626 -3.549 1.00 0.00 C ATOM 1075 CD2 LEU A 69 -9.042 -1.619 -2.643 1.00 0.00 C ATOM 0 H LEU A 69 -6.741 -0.225 -6.704 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.321 -2.752 -5.617 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.992 -1.013 -4.216 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.373 -0.600 -5.212 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.560 -2.521 -4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.694 -4.209 -2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.751 -4.197 -4.440 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.106 -3.407 -2.982 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.678 -2.270 -2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.130 -1.393 -2.090 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.574 -0.692 -2.860 1.00 0.00 H new ATOM 1087 N LYS A 70 -9.157 -2.637 -7.388 1.00 0.00 N ATOM 1088 CA LYS A 70 -10.141 -3.554 -7.971 1.00 0.00 C ATOM 1089 C LYS A 70 -9.562 -4.400 -9.107 1.00 0.00 C ATOM 1090 O LYS A 70 -10.040 -5.522 -9.296 1.00 0.00 O ATOM 1091 CB LYS A 70 -11.410 -2.816 -8.404 1.00 0.00 C ATOM 1092 CG LYS A 70 -12.234 -2.398 -7.176 1.00 0.00 C ATOM 1093 CD LYS A 70 -13.549 -1.734 -7.596 1.00 0.00 C ATOM 1094 CE LYS A 70 -14.500 -1.618 -6.397 1.00 0.00 C ATOM 1095 NZ LYS A 70 -15.854 -1.176 -6.790 1.00 0.00 N ATOM 0 H LYS A 70 -9.367 -1.646 -7.510 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.418 -4.252 -7.181 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.144 -1.935 -8.988 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.009 -3.458 -9.050 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.445 -3.273 -6.560 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.654 -1.708 -6.562 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.349 -0.744 -8.006 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.021 -2.317 -8.387 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.568 -2.584 -5.896 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.086 -0.913 -5.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.458 -1.113 -5.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.796 -0.242 -7.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.263 -1.861 -7.457 1.00 0.00 H new ATOM 1109 N THR A 71 -8.553 -3.930 -9.837 1.00 0.00 N ATOM 1110 CA THR A 71 -7.789 -4.749 -10.769 1.00 0.00 C ATOM 1111 C THR A 71 -7.094 -5.862 -9.976 1.00 0.00 C ATOM 1112 O THR A 71 -7.277 -7.041 -10.279 1.00 0.00 O ATOM 1113 CB THR A 71 -6.820 -3.870 -11.585 1.00 0.00 C ATOM 1114 OG1 THR A 71 -7.539 -2.944 -12.373 1.00 0.00 O ATOM 1115 CG2 THR A 71 -5.969 -4.685 -12.557 1.00 0.00 C ATOM 0 H THR A 71 -8.241 -2.960 -9.796 1.00 0.00 H new ATOM 0 HA THR A 71 -8.441 -5.224 -11.503 1.00 0.00 H new ATOM 0 HB THR A 71 -6.181 -3.377 -10.853 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.867 -2.216 -11.805 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.305 -4.018 -13.106 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.376 -5.411 -12.001 1.00 0.00 H new ATOM 0 HG23 THR A 71 -6.619 -5.208 -13.259 1.00 0.00 H new ATOM 1123 N ILE A 72 -6.327 -5.524 -8.936 1.00 0.00 N ATOM 1124 CA ILE A 72 -5.562 -6.471 -8.122 1.00 0.00 C ATOM 1125 C ILE A 72 -6.545 -7.521 -7.570 1.00 0.00 C ATOM 1126 O ILE A 72 -6.307 -8.723 -7.667 1.00 0.00 O ATOM 1127 CB ILE A 72 -4.856 -5.679 -6.990 1.00 0.00 C ATOM 1128 CG1 ILE A 72 -3.606 -4.981 -7.557 1.00 0.00 C ATOM 1129 CG2 ILE A 72 -4.395 -6.615 -5.858 1.00 0.00 C ATOM 1130 CD1 ILE A 72 -3.043 -3.929 -6.587 1.00 0.00 C ATOM 0 H ILE A 72 -6.218 -4.557 -8.629 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.796 -6.988 -8.700 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.570 -4.956 -6.596 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.839 -5.726 -7.768 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.856 -4.503 -8.504 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.904 -6.031 -5.080 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.259 -7.128 -5.436 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.695 -7.350 -6.256 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.162 -3.462 -7.028 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.800 -3.168 -6.396 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.767 -4.410 -5.649 1.00 0.00 H new ATOM 1142 N ARG A 73 -7.673 -7.066 -7.022 1.00 0.00 N ATOM 1143 CA ARG A 73 -8.705 -7.867 -6.377 1.00 0.00 C ATOM 1144 C ARG A 73 -9.444 -8.809 -7.338 1.00 0.00 C ATOM 1145 O ARG A 73 -10.274 -9.579 -6.854 1.00 0.00 O ATOM 1146 CB ARG A 73 -9.683 -6.917 -5.639 1.00 0.00 C ATOM 1147 CG ARG A 73 -9.696 -7.117 -4.109 1.00 0.00 C ATOM 1148 CD ARG A 73 -10.954 -7.838 -3.608 1.00 0.00 C ATOM 1149 NE ARG A 73 -11.081 -9.154 -4.248 1.00 0.00 N ATOM 1150 CZ ARG A 73 -10.786 -10.343 -3.724 1.00 0.00 C ATOM 1151 NH1 ARG A 73 -10.676 -10.510 -2.413 1.00 0.00 N ATOM 1152 NH2 ARG A 73 -10.583 -11.358 -4.553 1.00 0.00 N ATOM 0 H ARG A 73 -7.900 -6.072 -7.018 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.218 -8.530 -5.662 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -9.411 -5.885 -5.861 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -10.690 -7.072 -6.027 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.816 -7.689 -3.816 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.622 -6.145 -3.621 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.906 -7.956 -2.526 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.836 -7.235 -3.824 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.436 -9.158 -5.204 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.818 -9.719 -1.784 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.449 -11.429 -2.033 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -10.654 -11.216 -5.561 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -10.355 -12.281 -4.183 1.00 0.00 H new ATOM 1166 N ALA A 74 -9.203 -8.755 -8.651 1.00 0.00 N ATOM 1167 CA ALA A 74 -9.871 -9.618 -9.614 1.00 0.00 C ATOM 1168 C ALA A 74 -9.518 -11.083 -9.333 1.00 0.00 C ATOM 1169 O ALA A 74 -10.347 -11.804 -8.778 1.00 0.00 O ATOM 1170 CB ALA A 74 -9.537 -9.170 -11.040 1.00 0.00 C ATOM 0 H ALA A 74 -8.536 -8.108 -9.072 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.953 -9.534 -9.511 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.041 -9.822 -11.754 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.872 -8.143 -11.187 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.460 -9.226 -11.196 1.00 0.00 H new ATOM 1205 N MET A 78 -3.135 -11.961 -7.364 1.00 0.00 N ATOM 1206 CA MET A 78 -3.037 -10.623 -6.798 1.00 0.00 C ATOM 1207 C MET A 78 -4.222 -10.357 -5.864 1.00 0.00 C ATOM 1208 O MET A 78 -4.124 -9.550 -4.945 1.00 0.00 O ATOM 1209 CB MET A 78 -2.867 -9.572 -7.904 1.00 0.00 C ATOM 1210 CG MET A 78 -1.811 -10.008 -8.935 1.00 0.00 C ATOM 1211 SD MET A 78 -0.792 -8.673 -9.615 1.00 0.00 S ATOM 1212 CE MET A 78 -2.033 -7.766 -10.570 1.00 0.00 C ATOM 0 HA MET A 78 -2.140 -10.548 -6.184 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.822 -9.411 -8.405 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.574 -8.620 -7.461 1.00 0.00 H new ATOM 0 HG2 MET A 78 -1.154 -10.742 -8.469 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.318 -10.511 -9.759 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.565 -6.909 -11.054 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.460 -8.422 -11.328 1.00 0.00 H new ATOM 0 HE3 MET A 78 -2.823 -7.420 -9.904 1.00 0.00 H new ATOM 1222 N SER A 79 -5.271 -11.166 -5.977 1.00 0.00 N ATOM 1223 CA SER A 79 -6.305 -11.390 -4.980 1.00 0.00 C ATOM 1224 C SER A 79 -5.731 -11.531 -3.562 1.00 0.00 C ATOM 1225 O SER A 79 -6.327 -11.019 -2.610 1.00 0.00 O ATOM 1226 CB SER A 79 -7.072 -12.658 -5.372 1.00 0.00 C ATOM 1227 OG SER A 79 -6.166 -13.651 -5.846 1.00 0.00 O ATOM 0 H SER A 79 -5.429 -11.716 -6.822 1.00 0.00 H new ATOM 0 HA SER A 79 -6.967 -10.524 -4.959 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.624 -13.039 -4.513 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.805 -12.425 -6.144 1.00 0.00 H new ATOM 0 HG SER A 79 -6.665 -14.458 -6.092 1.00 0.00 H new ATOM 1233 N ALA A 80 -4.585 -12.203 -3.397 1.00 0.00 N ATOM 1234 CA ALA A 80 -3.956 -12.416 -2.100 1.00 0.00 C ATOM 1235 C ALA A 80 -3.131 -11.214 -1.622 1.00 0.00 C ATOM 1236 O ALA A 80 -2.822 -11.152 -0.429 1.00 0.00 O ATOM 1237 CB ALA A 80 -3.073 -13.666 -2.160 1.00 0.00 C ATOM 0 H ALA A 80 -4.067 -12.616 -4.173 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.758 -12.549 -1.374 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.602 -13.826 -1.190 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.685 -14.532 -2.413 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.303 -13.531 -2.919 1.00 0.00 H new ATOM 1243 N LEU A 81 -2.785 -10.251 -2.485 1.00 0.00 N ATOM 1244 CA LEU A 81 -1.886 -9.154 -2.124 1.00 0.00 C ATOM 1245 C LEU A 81 -2.514 -8.274 -1.037 1.00 0.00 C ATOM 1246 O LEU A 81 -3.676 -7.876 -1.188 1.00 0.00 O ATOM 1247 CB LEU A 81 -1.548 -8.259 -3.331 1.00 0.00 C ATOM 1248 CG LEU A 81 -0.438 -8.796 -4.258 1.00 0.00 C ATOM 1249 CD1 LEU A 81 -0.322 -7.927 -5.526 1.00 0.00 C ATOM 1250 CD2 LEU A 81 0.929 -8.839 -3.553 1.00 0.00 C ATOM 0 H LEU A 81 -3.120 -10.212 -3.448 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.969 -9.616 -1.758 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.453 -8.115 -3.921 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.248 -7.278 -2.963 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.719 -9.813 -4.530 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.466 -8.322 -6.167 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.269 -7.942 -6.065 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.081 -6.902 -5.244 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.682 -9.223 -4.242 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.207 -7.834 -3.236 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.868 -9.491 -2.681 1.00 0.00 H new ATOM 1262 N PRO A 82 -1.790 -7.936 0.043 1.00 0.00 N ATOM 1263 CA PRO A 82 -2.170 -6.893 0.982 1.00 0.00 C ATOM 1264 C PRO A 82 -2.016 -5.515 0.319 1.00 0.00 C ATOM 1265 O PRO A 82 -0.971 -4.868 0.390 1.00 0.00 O ATOM 1266 CB PRO A 82 -1.278 -7.090 2.207 1.00 0.00 C ATOM 1267 CG PRO A 82 -0.025 -7.752 1.649 1.00 0.00 C ATOM 1268 CD PRO A 82 -0.524 -8.530 0.435 1.00 0.00 C ATOM 0 HA PRO A 82 -3.215 -6.949 1.287 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.046 -6.140 2.689 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.761 -7.718 2.956 1.00 0.00 H new ATOM 0 HG2 PRO A 82 0.725 -7.013 1.368 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.438 -8.412 2.383 1.00 0.00 H new ATOM 0 HD2 PRO A 82 0.197 -8.476 -0.381 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.652 -9.585 0.678 1.00 0.00 H new ATOM 1276 N VAL A 83 -3.088 -5.107 -0.353 1.00 0.00 N ATOM 1277 CA VAL A 83 -3.410 -3.765 -0.819 1.00 0.00 C ATOM 1278 C VAL A 83 -3.667 -2.872 0.394 1.00 0.00 C ATOM 1279 O VAL A 83 -4.707 -3.011 1.051 1.00 0.00 O ATOM 1280 CB VAL A 83 -4.645 -3.831 -1.749 1.00 0.00 C ATOM 1281 CG1 VAL A 83 -4.180 -4.078 -3.189 1.00 0.00 C ATOM 1282 CG2 VAL A 83 -5.647 -4.936 -1.330 1.00 0.00 C ATOM 0 H VAL A 83 -3.820 -5.770 -0.608 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.582 -3.343 -1.389 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.167 -2.877 -1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.047 -4.125 -3.848 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.528 -3.264 -3.505 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.635 -5.020 -3.239 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.494 -4.938 -2.016 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.152 -5.907 -1.361 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.001 -4.742 -0.317 1.00 0.00 H new ATOM 1292 N LEU A 84 -2.720 -2.007 0.746 1.00 0.00 N ATOM 1293 CA LEU A 84 -2.794 -1.110 1.891 1.00 0.00 C ATOM 1294 C LEU A 84 -2.837 0.324 1.371 1.00 0.00 C ATOM 1295 O LEU A 84 -1.860 0.829 0.814 1.00 0.00 O ATOM 1296 CB LEU A 84 -1.625 -1.378 2.850 1.00 0.00 C ATOM 1297 CG LEU A 84 -1.573 -0.422 4.059 1.00 0.00 C ATOM 1298 CD1 LEU A 84 -2.912 -0.330 4.807 1.00 0.00 C ATOM 1299 CD2 LEU A 84 -0.481 -0.890 5.029 1.00 0.00 C ATOM 0 H LEU A 84 -1.850 -1.909 0.222 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.700 -1.283 2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.695 -2.403 3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.689 -1.299 2.297 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.351 0.573 3.673 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.813 0.357 5.647 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.683 0.035 4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.191 -1.317 5.176 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.442 -0.216 5.885 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.707 -1.900 5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.483 -0.887 4.520 1.00 0.00 H new ATOM 1311 N MET A 85 -3.998 0.958 1.522 1.00 0.00 N ATOM 1312 CA MET A 85 -4.203 2.299 0.995 1.00 0.00 C ATOM 1313 C MET A 85 -3.747 3.298 2.054 1.00 0.00 C ATOM 1314 O MET A 85 -4.145 3.190 3.218 1.00 0.00 O ATOM 1315 CB MET A 85 -5.666 2.531 0.598 1.00 0.00 C ATOM 1316 CG MET A 85 -6.315 1.398 -0.212 1.00 0.00 C ATOM 1317 SD MET A 85 -5.411 0.788 -1.668 1.00 0.00 S ATOM 1318 CE MET A 85 -5.388 2.264 -2.726 1.00 0.00 C ATOM 0 H MET A 85 -4.806 0.564 2.003 1.00 0.00 H new ATOM 0 HA MET A 85 -3.617 2.431 0.086 1.00 0.00 H new ATOM 0 HB2 MET A 85 -6.251 2.688 1.504 1.00 0.00 H new ATOM 0 HB3 MET A 85 -5.726 3.451 0.017 1.00 0.00 H new ATOM 0 HG2 MET A 85 -6.480 0.555 0.460 1.00 0.00 H new ATOM 0 HG3 MET A 85 -7.296 1.739 -0.543 1.00 0.00 H new ATOM 0 HE1 MET A 85 -4.865 2.038 -3.655 1.00 0.00 H new ATOM 0 HE2 MET A 85 -6.411 2.567 -2.950 1.00 0.00 H new ATOM 0 HE3 MET A 85 -4.874 3.074 -2.209 1.00 0.00 H new ATOM 1328 N VAL A 86 -2.915 4.260 1.672 1.00 0.00 N ATOM 1329 CA VAL A 86 -2.284 5.242 2.538 1.00 0.00 C ATOM 1330 C VAL A 86 -2.422 6.587 1.828 1.00 0.00 C ATOM 1331 O VAL A 86 -1.632 6.913 0.950 1.00 0.00 O ATOM 1332 CB VAL A 86 -0.821 4.831 2.814 1.00 0.00 C ATOM 1333 CG1 VAL A 86 -0.153 5.840 3.751 1.00 0.00 C ATOM 1334 CG2 VAL A 86 -0.710 3.439 3.461 1.00 0.00 C ATOM 0 H VAL A 86 -2.650 4.380 0.694 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.754 5.310 3.519 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.323 4.807 1.845 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.878 5.537 3.937 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.164 6.827 3.290 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.696 5.875 4.695 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.340 3.200 3.633 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.243 3.436 4.412 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.147 2.693 2.797 1.00 0.00 H new ATOM 1344 N THR A 87 -3.461 7.354 2.154 1.00 0.00 N ATOM 1345 CA THR A 87 -3.859 8.517 1.371 1.00 0.00 C ATOM 1346 C THR A 87 -4.065 9.738 2.266 1.00 0.00 C ATOM 1347 O THR A 87 -3.963 9.670 3.493 1.00 0.00 O ATOM 1348 CB THR A 87 -5.074 8.142 0.494 1.00 0.00 C ATOM 1349 OG1 THR A 87 -5.342 9.173 -0.437 1.00 0.00 O ATOM 1350 CG2 THR A 87 -6.348 7.854 1.292 1.00 0.00 C ATOM 0 H THR A 87 -4.050 7.184 2.970 1.00 0.00 H new ATOM 0 HA THR A 87 -3.062 8.814 0.689 1.00 0.00 H new ATOM 0 HB THR A 87 -4.797 7.218 -0.014 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.797 9.038 -1.240 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.156 7.598 0.607 1.00 0.00 H new ATOM 0 HG22 THR A 87 -6.171 7.020 1.972 1.00 0.00 H new ATOM 0 HG23 THR A 87 -6.625 8.738 1.866 1.00 0.00 H new ATOM 1358 N ALA A 88 -4.321 10.893 1.654 1.00 0.00 N ATOM 1359 CA ALA A 88 -4.646 12.122 2.359 1.00 0.00 C ATOM 1360 C ALA A 88 -6.152 12.248 2.615 1.00 0.00 C ATOM 1361 O ALA A 88 -6.552 12.981 3.521 1.00 0.00 O ATOM 1362 CB ALA A 88 -4.136 13.307 1.536 1.00 0.00 C ATOM 0 H ALA A 88 -4.307 10.998 0.640 1.00 0.00 H new ATOM 0 HA ALA A 88 -4.161 12.109 3.335 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.373 14.237 2.052 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.056 13.226 1.411 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.615 13.303 0.557 1.00 0.00 H new ATOM 1368 N GLU A 89 -6.991 11.565 1.830 1.00 0.00 N ATOM 1369 CA GLU A 89 -8.434 11.755 1.837 1.00 0.00 C ATOM 1370 C GLU A 89 -9.115 10.884 2.895 1.00 0.00 C ATOM 1371 O GLU A 89 -9.179 9.660 2.771 1.00 0.00 O ATOM 1372 CB GLU A 89 -9.008 11.469 0.439 1.00 0.00 C ATOM 1373 CG GLU A 89 -8.545 12.490 -0.617 1.00 0.00 C ATOM 1374 CD GLU A 89 -9.171 13.882 -0.492 1.00 0.00 C ATOM 1375 OE1 GLU A 89 -9.817 14.200 0.534 1.00 0.00 O ATOM 1376 OE2 GLU A 89 -8.982 14.715 -1.413 1.00 0.00 O ATOM 0 H GLU A 89 -6.677 10.857 1.166 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.637 12.794 2.098 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.709 10.469 0.126 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.097 11.475 0.490 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.461 12.589 -0.554 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.772 12.094 -1.607 1.00 0.00 H new ATOM 1383 N ALA A 90 -9.697 11.537 3.903 1.00 0.00 N ATOM 1384 CA ALA A 90 -10.717 10.986 4.796 1.00 0.00 C ATOM 1385 C ALA A 90 -12.077 10.847 4.098 1.00 0.00 C ATOM 1386 O ALA A 90 -13.079 10.626 4.778 1.00 0.00 O ATOM 1387 CB ALA A 90 -10.885 11.930 5.996 1.00 0.00 C ATOM 0 H ALA A 90 -9.461 12.503 4.128 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.389 9.995 5.108 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.643 11.531 6.670 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -9.937 12.016 6.527 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.195 12.914 5.644 1.00 0.00 H new ATOM 1393 N LYS A 91 -12.146 11.058 2.777 1.00 0.00 N ATOM 1394 CA LYS A 91 -13.387 11.095 2.019 1.00 0.00 C ATOM 1395 C LYS A 91 -14.152 9.808 2.285 1.00 0.00 C ATOM 1396 O LYS A 91 -13.662 8.725 1.967 1.00 0.00 O ATOM 1397 CB LYS A 91 -13.092 11.318 0.525 1.00 0.00 C ATOM 1398 CG LYS A 91 -14.359 11.480 -0.329 1.00 0.00 C ATOM 1399 CD LYS A 91 -15.190 12.708 0.090 1.00 0.00 C ATOM 1400 CE LYS A 91 -16.430 12.893 -0.788 1.00 0.00 C ATOM 1401 NZ LYS A 91 -16.247 13.906 -1.843 1.00 0.00 N ATOM 0 H LYS A 91 -11.318 11.210 2.200 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.010 11.931 2.335 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -12.471 12.207 0.413 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -12.513 10.476 0.147 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -14.078 11.574 -1.378 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.971 10.582 -0.242 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -15.496 12.600 1.130 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -14.569 13.602 0.032 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -16.687 11.939 -1.249 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -17.273 13.180 -0.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -17.120 13.985 -2.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -16.030 14.825 -1.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -15.462 13.623 -2.464 1.00 0.00 H new ATOM 1415 N LYS A 92 -15.335 9.907 2.883 1.00 0.00 N ATOM 1416 CA LYS A 92 -16.081 8.727 3.287 1.00 0.00 C ATOM 1417 C LYS A 92 -16.412 7.866 2.081 1.00 0.00 C ATOM 1418 O LYS A 92 -16.325 6.654 2.211 1.00 0.00 O ATOM 1419 CB LYS A 92 -17.322 9.126 4.087 1.00 0.00 C ATOM 1420 CG LYS A 92 -16.900 9.553 5.499 1.00 0.00 C ATOM 1421 CD LYS A 92 -18.004 10.355 6.181 1.00 0.00 C ATOM 1422 CE LYS A 92 -17.532 10.704 7.591 1.00 0.00 C ATOM 1423 NZ LYS A 92 -18.390 11.730 8.197 1.00 0.00 N ATOM 0 H LYS A 92 -15.795 10.792 3.097 1.00 0.00 H new ATOM 0 HA LYS A 92 -15.461 8.120 3.947 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -17.843 9.943 3.588 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -18.019 8.289 4.141 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -16.666 8.671 6.095 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -15.991 10.152 5.445 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -18.221 11.262 5.616 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -18.927 9.776 6.220 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -17.537 9.808 8.212 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -16.503 11.061 7.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -18.047 11.948 9.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -18.365 12.592 7.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -19.367 11.378 8.251 1.00 0.00 H new ATOM 1437 N GLU A 93 -16.711 8.451 0.919 1.00 0.00 N ATOM 1438 CA GLU A 93 -16.946 7.710 -0.316 1.00 0.00 C ATOM 1439 C GLU A 93 -15.721 6.860 -0.642 1.00 0.00 C ATOM 1440 O GLU A 93 -15.873 5.681 -0.941 1.00 0.00 O ATOM 1441 CB GLU A 93 -17.262 8.663 -1.484 1.00 0.00 C ATOM 1442 CG GLU A 93 -18.281 8.126 -2.507 1.00 0.00 C ATOM 1443 CD GLU A 93 -18.103 6.667 -2.949 1.00 0.00 C ATOM 1444 OE1 GLU A 93 -17.366 6.410 -3.934 1.00 0.00 O ATOM 1445 OE2 GLU A 93 -18.787 5.791 -2.369 1.00 0.00 O ATOM 0 H GLU A 93 -16.797 9.462 0.811 1.00 0.00 H new ATOM 0 HA GLU A 93 -17.810 7.061 -0.173 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -17.640 9.600 -1.076 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -16.333 8.894 -2.006 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -19.279 8.235 -2.083 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -18.240 8.759 -3.394 1.00 0.00 H new ATOM 1452 N ASN A 94 -14.510 7.425 -0.525 1.00 0.00 N ATOM 1453 CA ASN A 94 -13.283 6.669 -0.745 1.00 0.00 C ATOM 1454 C ASN A 94 -13.198 5.532 0.273 1.00 0.00 C ATOM 1455 O ASN A 94 -12.812 4.423 -0.079 1.00 0.00 O ATOM 1456 CB ASN A 94 -12.002 7.524 -0.653 1.00 0.00 C ATOM 1457 CG ASN A 94 -11.718 8.496 -1.794 1.00 0.00 C ATOM 1458 OD1 ASN A 94 -10.695 9.177 -1.777 1.00 0.00 O ATOM 1459 ND2 ASN A 94 -12.572 8.612 -2.796 1.00 0.00 N ATOM 0 H ASN A 94 -14.361 8.404 -0.279 1.00 0.00 H new ATOM 0 HA ASN A 94 -13.334 6.287 -1.764 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -12.046 8.097 0.273 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -11.152 6.847 -0.569 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -12.382 9.267 -3.555 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -13.421 8.047 -2.810 1.00 0.00 H new ATOM 1466 N ILE A 95 -13.562 5.777 1.534 1.00 0.00 N ATOM 1467 CA ILE A 95 -13.486 4.767 2.585 1.00 0.00 C ATOM 1468 C ILE A 95 -14.472 3.640 2.242 1.00 0.00 C ATOM 1469 O ILE A 95 -14.059 2.478 2.286 1.00 0.00 O ATOM 1470 CB ILE A 95 -13.719 5.410 3.973 1.00 0.00 C ATOM 1471 CG1 ILE A 95 -12.405 6.109 4.406 1.00 0.00 C ATOM 1472 CG2 ILE A 95 -14.081 4.327 5.018 1.00 0.00 C ATOM 1473 CD1 ILE A 95 -12.597 7.230 5.435 1.00 0.00 C ATOM 0 H ILE A 95 -13.916 6.679 1.852 1.00 0.00 H new ATOM 0 HA ILE A 95 -12.491 4.326 2.640 1.00 0.00 H new ATOM 0 HB ILE A 95 -14.540 6.124 3.911 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.729 5.362 4.822 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.918 6.522 3.522 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -14.241 4.797 5.988 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -14.991 3.813 4.709 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -13.266 3.607 5.094 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -11.629 7.666 5.683 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -13.245 8.000 5.017 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -13.053 6.822 6.337 1.00 0.00 H new ATOM 1485 N ILE A 96 -15.736 3.935 1.899 1.00 0.00 N ATOM 1486 CA ILE A 96 -16.692 2.916 1.517 1.00 0.00 C ATOM 1487 C ILE A 96 -16.140 2.180 0.310 1.00 0.00 C ATOM 1488 O ILE A 96 -16.085 0.961 0.342 1.00 0.00 O ATOM 1489 CB ILE A 96 -18.010 3.619 1.182 1.00 0.00 C ATOM 1490 CG1 ILE A 96 -18.675 3.974 2.521 1.00 0.00 C ATOM 1491 CG2 ILE A 96 -18.987 2.751 0.371 1.00 0.00 C ATOM 1492 CD1 ILE A 96 -19.306 5.343 2.386 1.00 0.00 C ATOM 0 H ILE A 96 -16.110 4.884 1.883 1.00 0.00 H new ATOM 0 HA ILE A 96 -16.865 2.195 2.316 1.00 0.00 H new ATOM 0 HB ILE A 96 -17.783 4.488 0.565 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -19.430 3.231 2.780 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -17.938 3.972 3.324 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -19.897 3.317 0.172 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -18.523 2.466 -0.573 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -19.234 1.854 0.939 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -19.785 5.617 3.326 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -18.537 6.076 2.144 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -20.051 5.323 1.591 1.00 0.00 H new ATOM 1504 N ALA A 97 -15.732 2.887 -0.745 1.00 0.00 N ATOM 1505 CA ALA A 97 -15.247 2.293 -1.975 1.00 0.00 C ATOM 1506 C ALA A 97 -14.075 1.348 -1.700 1.00 0.00 C ATOM 1507 O ALA A 97 -14.054 0.249 -2.250 1.00 0.00 O ATOM 1508 CB ALA A 97 -14.875 3.403 -2.955 1.00 0.00 C ATOM 0 H ALA A 97 -15.733 3.907 -0.761 1.00 0.00 H new ATOM 0 HA ALA A 97 -16.034 1.688 -2.425 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -14.509 2.962 -3.882 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -15.754 4.013 -3.165 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -14.096 4.028 -2.518 1.00 0.00 H new ATOM 1514 N ALA A 98 -13.139 1.729 -0.828 1.00 0.00 N ATOM 1515 CA ALA A 98 -12.025 0.885 -0.422 1.00 0.00 C ATOM 1516 C ALA A 98 -12.539 -0.377 0.264 1.00 0.00 C ATOM 1517 O ALA A 98 -12.109 -1.482 -0.061 1.00 0.00 O ATOM 1518 CB ALA A 98 -11.119 1.631 0.564 1.00 0.00 C ATOM 0 H ALA A 98 -13.138 2.646 -0.381 1.00 0.00 H new ATOM 0 HA ALA A 98 -11.462 0.622 -1.318 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -10.291 0.985 0.857 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.727 2.530 0.089 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.694 1.908 1.448 1.00 0.00 H new ATOM 1524 N ALA A 99 -13.431 -0.213 1.246 1.00 0.00 N ATOM 1525 CA ALA A 99 -13.982 -1.315 2.014 1.00 0.00 C ATOM 1526 C ALA A 99 -14.788 -2.256 1.111 1.00 0.00 C ATOM 1527 O ALA A 99 -14.663 -3.473 1.236 1.00 0.00 O ATOM 1528 CB ALA A 99 -14.831 -0.741 3.158 1.00 0.00 C ATOM 0 H ALA A 99 -13.789 0.700 1.526 1.00 0.00 H new ATOM 0 HA ALA A 99 -13.178 -1.912 2.443 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -15.252 -1.558 3.744 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -14.206 -0.119 3.799 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -15.639 -0.138 2.744 1.00 0.00 H new ATOM 1534 N GLN A 100 -15.577 -1.711 0.186 1.00 0.00 N ATOM 1535 CA GLN A 100 -16.332 -2.398 -0.854 1.00 0.00 C ATOM 1536 C GLN A 100 -15.365 -3.225 -1.701 1.00 0.00 C ATOM 1537 O GLN A 100 -15.525 -4.443 -1.796 1.00 0.00 O ATOM 1538 CB GLN A 100 -17.079 -1.358 -1.715 1.00 0.00 C ATOM 1539 CG GLN A 100 -18.268 -0.674 -1.018 1.00 0.00 C ATOM 1540 CD GLN A 100 -19.581 -1.413 -1.223 1.00 0.00 C ATOM 1541 OE1 GLN A 100 -19.610 -2.631 -1.354 1.00 0.00 O ATOM 1542 NE2 GLN A 100 -20.693 -0.700 -1.282 1.00 0.00 N ATOM 0 H GLN A 100 -15.713 -0.701 0.143 1.00 0.00 H new ATOM 0 HA GLN A 100 -17.070 -3.067 -0.413 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -16.371 -0.591 -2.029 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -17.440 -1.848 -2.619 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -18.062 -0.599 0.050 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -18.367 0.344 -1.396 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -20.656 0.313 -1.171 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -21.588 -1.163 -1.438 1.00 0.00 H new ATOM 1551 N ALA A 101 -14.327 -2.584 -2.252 1.00 0.00 N ATOM 1552 CA ALA A 101 -13.273 -3.223 -3.018 1.00 0.00 C ATOM 1553 C ALA A 101 -12.426 -4.194 -2.188 1.00 0.00 C ATOM 1554 O ALA A 101 -11.594 -4.891 -2.756 1.00 0.00 O ATOM 1555 CB ALA A 101 -12.373 -2.133 -3.597 1.00 0.00 C ATOM 0 H ALA A 101 -14.202 -1.575 -2.169 1.00 0.00 H new ATOM 0 HA ALA A 101 -13.745 -3.814 -3.802 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.573 -2.592 -4.177 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -12.961 -1.480 -4.242 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -11.942 -1.547 -2.785 1.00 0.00 H new ATOM 1561 N GLY A 102 -12.615 -4.252 -0.870 1.00 0.00 N ATOM 1562 CA GLY A 102 -11.970 -5.218 -0.009 1.00 0.00 C ATOM 1563 C GLY A 102 -10.511 -4.891 0.276 1.00 0.00 C ATOM 1564 O GLY A 102 -9.732 -5.826 0.491 1.00 0.00 O ATOM 0 H GLY A 102 -13.234 -3.613 -0.371 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -12.514 -5.274 0.934 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -12.031 -6.204 -0.471 1.00 0.00 H new ATOM 1568 N ALA A 103 -10.129 -3.606 0.307 1.00 0.00 N ATOM 1569 CA ALA A 103 -8.754 -3.214 0.604 1.00 0.00 C ATOM 1570 C ALA A 103 -8.348 -3.785 1.961 1.00 0.00 C ATOM 1571 O ALA A 103 -9.164 -3.813 2.888 1.00 0.00 O ATOM 1572 CB ALA A 103 -8.593 -1.690 0.619 1.00 0.00 C ATOM 0 H ALA A 103 -10.758 -2.823 0.129 1.00 0.00 H new ATOM 0 HA ALA A 103 -8.110 -3.611 -0.180 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.557 -1.436 0.843 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.863 -1.286 -0.357 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.245 -1.263 1.381 1.00 0.00 H new ATOM 1578 N SER A 104 -7.093 -4.204 2.109 1.00 0.00 N ATOM 1579 CA SER A 104 -6.639 -4.838 3.339 1.00 0.00 C ATOM 1580 C SER A 104 -6.484 -3.826 4.481 1.00 0.00 C ATOM 1581 O SER A 104 -6.434 -4.209 5.658 1.00 0.00 O ATOM 1582 CB SER A 104 -5.371 -5.652 3.063 1.00 0.00 C ATOM 1583 OG SER A 104 -4.221 -4.857 2.854 1.00 0.00 O ATOM 0 H SER A 104 -6.374 -4.115 1.391 1.00 0.00 H new ATOM 0 HA SER A 104 -7.402 -5.535 3.685 1.00 0.00 H new ATOM 0 HB2 SER A 104 -5.190 -6.323 3.903 1.00 0.00 H new ATOM 0 HB3 SER A 104 -5.535 -6.277 2.185 1.00 0.00 H new ATOM 0 HG SER A 104 -4.487 -3.987 2.489 1.00 0.00 H new ATOM 1589 N GLY A 105 -6.471 -2.530 4.163 1.00 0.00 N ATOM 1590 CA GLY A 105 -6.454 -1.479 5.154 1.00 0.00 C ATOM 1591 C GLY A 105 -6.508 -0.117 4.490 1.00 0.00 C ATOM 1592 O GLY A 105 -6.312 0.008 3.278 1.00 0.00 O ATOM 0 H GLY A 105 -6.472 -2.189 3.202 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.302 -1.594 5.829 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.552 -1.558 5.760 1.00 0.00 H new ATOM 1596 N TYR A 106 -6.757 0.890 5.318 1.00 0.00 N ATOM 1597 CA TYR A 106 -6.871 2.287 4.944 1.00 0.00 C ATOM 1598 C TYR A 106 -6.104 3.063 6.011 1.00 0.00 C ATOM 1599 O TYR A 106 -6.238 2.764 7.201 1.00 0.00 O ATOM 1600 CB TYR A 106 -8.363 2.679 4.911 1.00 0.00 C ATOM 1601 CG TYR A 106 -8.723 3.888 4.060 1.00 0.00 C ATOM 1602 CD1 TYR A 106 -8.196 5.164 4.337 1.00 0.00 C ATOM 1603 CD2 TYR A 106 -9.609 3.736 2.977 1.00 0.00 C ATOM 1604 CE1 TYR A 106 -8.531 6.259 3.525 1.00 0.00 C ATOM 1605 CE2 TYR A 106 -9.975 4.839 2.184 1.00 0.00 C ATOM 1606 CZ TYR A 106 -9.453 6.118 2.472 1.00 0.00 C ATOM 1607 OH TYR A 106 -9.795 7.184 1.704 1.00 0.00 O ATOM 0 H TYR A 106 -6.891 0.743 6.318 1.00 0.00 H new ATOM 0 HA TYR A 106 -6.463 2.499 3.956 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.934 1.824 4.549 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.689 2.871 5.933 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -7.532 5.301 5.177 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -10.013 2.760 2.752 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -8.076 7.221 3.711 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.655 4.707 1.355 1.00 0.00 H new ATOM 0 HH TYR A 106 -9.511 8.011 2.147 1.00 0.00 H new ATOM 1617 N VAL A 107 -5.330 4.062 5.613 1.00 0.00 N ATOM 1618 CA VAL A 107 -4.665 5.043 6.455 1.00 0.00 C ATOM 1619 C VAL A 107 -4.954 6.391 5.796 1.00 0.00 C ATOM 1620 O VAL A 107 -4.728 6.549 4.598 1.00 0.00 O ATOM 1621 CB VAL A 107 -3.168 4.708 6.564 1.00 0.00 C ATOM 1622 CG1 VAL A 107 -2.450 5.776 7.386 1.00 0.00 C ATOM 1623 CG2 VAL A 107 -2.937 3.347 7.241 1.00 0.00 C ATOM 0 H VAL A 107 -5.137 4.218 4.624 1.00 0.00 H new ATOM 0 HA VAL A 107 -5.023 5.054 7.484 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.773 4.672 5.549 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.391 5.529 7.457 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.565 6.746 6.902 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.881 5.816 8.386 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.867 3.147 7.299 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.358 3.364 8.246 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.422 2.564 6.658 1.00 0.00 H new ATOM 1633 N VAL A 108 -5.506 7.338 6.553 1.00 0.00 N ATOM 1634 CA VAL A 108 -5.568 8.738 6.150 1.00 0.00 C ATOM 1635 C VAL A 108 -4.366 9.419 6.811 1.00 0.00 C ATOM 1636 O VAL A 108 -3.948 9.004 7.894 1.00 0.00 O ATOM 1637 CB VAL A 108 -6.899 9.381 6.596 1.00 0.00 C ATOM 1638 CG1 VAL A 108 -7.074 10.768 5.964 1.00 0.00 C ATOM 1639 CG2 VAL A 108 -8.139 8.575 6.171 1.00 0.00 C ATOM 0 H VAL A 108 -5.923 7.153 7.465 1.00 0.00 H new ATOM 0 HA VAL A 108 -5.530 8.846 5.066 1.00 0.00 H new ATOM 0 HB VAL A 108 -6.835 9.421 7.683 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -8.019 11.201 6.293 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.252 11.414 6.272 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -7.076 10.675 4.878 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -9.039 9.083 6.517 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -8.164 8.491 5.084 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -8.093 7.579 6.611 1.00 0.00 H new ATOM 1649 N LYS A 109 -3.811 10.472 6.205 1.00 0.00 N ATOM 1650 CA LYS A 109 -2.856 11.350 6.881 1.00 0.00 C ATOM 1651 C LYS A 109 -3.528 12.017 8.088 1.00 0.00 C ATOM 1652 O LYS A 109 -4.728 12.287 8.026 1.00 0.00 O ATOM 1653 CB LYS A 109 -2.250 12.348 5.876 1.00 0.00 C ATOM 1654 CG LYS A 109 -3.122 13.565 5.516 1.00 0.00 C ATOM 1655 CD LYS A 109 -2.797 14.795 6.379 1.00 0.00 C ATOM 1656 CE LYS A 109 -3.585 16.006 5.877 1.00 0.00 C ATOM 1657 NZ LYS A 109 -3.037 17.287 6.366 1.00 0.00 N ATOM 0 H LYS A 109 -4.010 10.737 5.240 1.00 0.00 H new ATOM 0 HA LYS A 109 -2.020 10.772 7.274 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.306 12.711 6.281 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -2.017 11.810 4.957 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -2.977 13.814 4.465 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -4.173 13.305 5.640 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -3.046 14.595 7.421 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -1.728 15.005 6.341 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -3.584 16.008 4.787 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -4.624 15.915 6.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -3.609 18.073 5.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -3.061 17.301 7.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -2.054 17.391 6.041 1.00 0.00 H new ATOM 1671 N PRO A 110 -2.784 12.416 9.130 1.00 0.00 N ATOM 1672 CA PRO A 110 -1.413 12.015 9.413 1.00 0.00 C ATOM 1673 C PRO A 110 -1.375 10.559 9.907 1.00 0.00 C ATOM 1674 O PRO A 110 -2.415 9.945 10.138 1.00 0.00 O ATOM 1675 CB PRO A 110 -0.958 13.005 10.486 1.00 0.00 C ATOM 1676 CG PRO A 110 -2.228 13.263 11.287 1.00 0.00 C ATOM 1677 CD PRO A 110 -3.324 13.203 10.229 1.00 0.00 C ATOM 0 HA PRO A 110 -0.761 12.040 8.540 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -0.167 12.587 11.109 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.566 13.922 10.047 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -2.375 12.511 12.062 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -2.201 14.233 11.784 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -4.227 12.743 10.630 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -3.597 14.204 9.894 1.00 0.00 H new ATOM 1685 N PHE A 111 -0.179 10.013 10.120 1.00 0.00 N ATOM 1686 CA PHE A 111 0.071 8.603 10.413 1.00 0.00 C ATOM 1687 C PHE A 111 1.572 8.415 10.635 1.00 0.00 C ATOM 1688 O PHE A 111 2.385 9.240 10.210 1.00 0.00 O ATOM 1689 CB PHE A 111 -0.408 7.691 9.256 1.00 0.00 C ATOM 1690 CG PHE A 111 0.255 7.905 7.910 1.00 0.00 C ATOM 1691 CD1 PHE A 111 1.539 7.390 7.655 1.00 0.00 C ATOM 1692 CD2 PHE A 111 -0.455 8.526 6.869 1.00 0.00 C ATOM 1693 CE1 PHE A 111 2.115 7.536 6.384 1.00 0.00 C ATOM 1694 CE2 PHE A 111 0.128 8.692 5.605 1.00 0.00 C ATOM 1695 CZ PHE A 111 1.422 8.206 5.361 1.00 0.00 C ATOM 0 H PHE A 111 0.679 10.565 10.092 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.487 8.321 11.306 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -0.253 6.654 9.552 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.482 7.830 9.134 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.082 6.882 8.438 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -1.460 8.879 7.044 1.00 0.00 H new ATOM 0 HE1 PHE A 111 3.097 7.131 6.190 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -0.418 9.193 4.820 1.00 0.00 H new ATOM 0 HZ PHE A 111 1.882 8.346 4.394 1.00 0.00 H new ATOM 1705 N THR A 112 1.933 7.338 11.316 1.00 0.00 N ATOM 1706 CA THR A 112 3.242 7.076 11.902 1.00 0.00 C ATOM 1707 C THR A 112 3.502 5.571 11.904 1.00 0.00 C ATOM 1708 O THR A 112 2.608 4.792 11.567 1.00 0.00 O ATOM 1709 CB THR A 112 3.247 7.639 13.336 1.00 0.00 C ATOM 1710 OG1 THR A 112 1.996 7.404 13.963 1.00 0.00 O ATOM 1711 CG2 THR A 112 3.567 9.127 13.342 1.00 0.00 C ATOM 0 H THR A 112 1.279 6.574 11.486 1.00 0.00 H new ATOM 0 HA THR A 112 4.032 7.556 11.324 1.00 0.00 H new ATOM 0 HB THR A 112 4.027 7.123 13.896 1.00 0.00 H new ATOM 0 HG1 THR A 112 2.014 7.765 14.874 1.00 0.00 H new ATOM 0 HG21 THR A 112 3.563 9.496 14.368 1.00 0.00 H new ATOM 0 HG22 THR A 112 4.551 9.289 12.902 1.00 0.00 H new ATOM 0 HG23 THR A 112 2.816 9.663 12.761 1.00 0.00 H new ATOM 1719 N ALA A 113 4.700 5.134 12.306 1.00 0.00 N ATOM 1720 CA ALA A 113 4.997 3.720 12.483 1.00 0.00 C ATOM 1721 C ALA A 113 4.055 3.166 13.557 1.00 0.00 C ATOM 1722 O ALA A 113 3.519 2.075 13.387 1.00 0.00 O ATOM 1723 CB ALA A 113 6.483 3.493 12.794 1.00 0.00 C ATOM 0 H ALA A 113 5.484 5.752 12.515 1.00 0.00 H new ATOM 0 HA ALA A 113 4.820 3.173 11.557 1.00 0.00 H new ATOM 0 HB1 ALA A 113 6.670 2.427 12.920 1.00 0.00 H new ATOM 0 HB2 ALA A 113 7.089 3.873 11.971 1.00 0.00 H new ATOM 0 HB3 ALA A 113 6.747 4.019 13.712 1.00 0.00 H new ATOM 1729 N ALA A 114 3.722 3.989 14.558 1.00 0.00 N ATOM 1730 CA ALA A 114 2.718 3.739 15.580 1.00 0.00 C ATOM 1731 C ALA A 114 1.285 3.556 15.072 1.00 0.00 C ATOM 1732 O ALA A 114 0.418 3.263 15.898 1.00 0.00 O ATOM 1733 CB ALA A 114 2.705 4.909 16.558 1.00 0.00 C ATOM 0 H ALA A 114 4.175 4.895 14.677 1.00 0.00 H new ATOM 0 HA ALA A 114 3.011 2.792 16.034 1.00 0.00 H new ATOM 0 HB1 ALA A 114 1.955 4.731 17.329 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.686 5.006 17.022 1.00 0.00 H new ATOM 0 HB3 ALA A 114 2.464 5.828 16.023 1.00 0.00 H new ATOM 1739 N THR A 115 0.973 3.744 13.787 1.00 0.00 N ATOM 1740 CA THR A 115 -0.257 3.205 13.221 1.00 0.00 C ATOM 1741 C THR A 115 0.068 2.155 12.159 1.00 0.00 C ATOM 1742 O THR A 115 -0.653 1.165 12.084 1.00 0.00 O ATOM 1743 CB THR A 115 -1.189 4.335 12.744 1.00 0.00 C ATOM 1744 OG1 THR A 115 -2.539 3.918 12.638 1.00 0.00 O ATOM 1745 CG2 THR A 115 -0.844 4.906 11.373 1.00 0.00 C ATOM 0 H THR A 115 1.553 4.262 13.127 1.00 0.00 H new ATOM 0 HA THR A 115 -0.823 2.683 13.993 1.00 0.00 H new ATOM 0 HB THR A 115 -1.048 5.093 13.515 1.00 0.00 H new ATOM 0 HG1 THR A 115 -3.090 4.669 12.334 1.00 0.00 H new ATOM 0 HG21 THR A 115 -1.552 5.695 11.119 1.00 0.00 H new ATOM 0 HG22 THR A 115 0.165 5.317 11.393 1.00 0.00 H new ATOM 0 HG23 THR A 115 -0.899 4.115 10.625 1.00 0.00 H new ATOM 1753 N LEU A 116 1.158 2.321 11.394 1.00 0.00 N ATOM 1754 CA LEU A 116 1.643 1.380 10.388 1.00 0.00 C ATOM 1755 C LEU A 116 1.640 -0.022 11.004 1.00 0.00 C ATOM 1756 O LEU A 116 0.935 -0.895 10.509 1.00 0.00 O ATOM 1757 CB LEU A 116 3.044 1.827 9.901 1.00 0.00 C ATOM 1758 CG LEU A 116 3.592 1.280 8.568 1.00 0.00 C ATOM 1759 CD1 LEU A 116 3.452 -0.230 8.449 1.00 0.00 C ATOM 1760 CD2 LEU A 116 2.975 1.939 7.332 1.00 0.00 C ATOM 0 H LEU A 116 1.746 3.151 11.467 1.00 0.00 H new ATOM 0 HA LEU A 116 0.998 1.360 9.510 1.00 0.00 H new ATOM 0 HB2 LEU A 116 3.034 2.915 9.829 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.760 1.566 10.681 1.00 0.00 H new ATOM 0 HG LEU A 116 4.651 1.538 8.594 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.854 -0.558 7.491 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.002 -0.711 9.258 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.399 -0.504 8.513 1.00 0.00 H new ATOM 0 HD21 LEU A 116 3.409 1.503 6.432 1.00 0.00 H new ATOM 0 HD22 LEU A 116 1.898 1.774 7.331 1.00 0.00 H new ATOM 0 HD23 LEU A 116 3.178 3.010 7.351 1.00 0.00 H new ATOM 1772 N GLU A 117 2.339 -0.214 12.125 1.00 0.00 N ATOM 1773 CA GLU A 117 2.481 -1.495 12.817 1.00 0.00 C ATOM 1774 C GLU A 117 1.145 -2.074 13.282 1.00 0.00 C ATOM 1775 O GLU A 117 0.967 -3.288 13.290 1.00 0.00 O ATOM 1776 CB GLU A 117 3.470 -1.343 13.983 1.00 0.00 C ATOM 1777 CG GLU A 117 3.023 -0.436 15.152 1.00 0.00 C ATOM 1778 CD GLU A 117 2.469 -1.177 16.372 1.00 0.00 C ATOM 1779 OE1 GLU A 117 3.056 -2.196 16.799 1.00 0.00 O ATOM 1780 OE2 GLU A 117 1.510 -0.669 16.998 1.00 0.00 O ATOM 0 H GLU A 117 2.838 0.544 12.591 1.00 0.00 H new ATOM 0 HA GLU A 117 2.877 -2.216 12.103 1.00 0.00 H new ATOM 0 HB2 GLU A 117 3.682 -2.335 14.382 1.00 0.00 H new ATOM 0 HB3 GLU A 117 4.407 -0.952 13.587 1.00 0.00 H new ATOM 0 HG2 GLU A 117 3.873 0.169 15.468 1.00 0.00 H new ATOM 0 HG3 GLU A 117 2.261 0.252 14.787 1.00 0.00 H new ATOM 1787 N GLU A 118 0.177 -1.225 13.625 1.00 0.00 N ATOM 1788 CA GLU A 118 -1.142 -1.689 14.016 1.00 0.00 C ATOM 1789 C GLU A 118 -1.889 -2.200 12.780 1.00 0.00 C ATOM 1790 O GLU A 118 -2.541 -3.237 12.829 1.00 0.00 O ATOM 1791 CB GLU A 118 -1.908 -0.557 14.711 1.00 0.00 C ATOM 1792 CG GLU A 118 -3.131 -1.111 15.444 1.00 0.00 C ATOM 1793 CD GLU A 118 -3.991 0.004 16.029 1.00 0.00 C ATOM 1794 OE1 GLU A 118 -4.811 0.563 15.264 1.00 0.00 O ATOM 1795 OE2 GLU A 118 -3.881 0.324 17.236 1.00 0.00 O ATOM 0 H GLU A 118 0.288 -0.211 13.638 1.00 0.00 H new ATOM 0 HA GLU A 118 -1.053 -2.513 14.724 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -1.253 -0.047 15.417 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -2.222 0.183 13.975 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -3.729 -1.708 14.755 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -2.806 -1.777 16.243 1.00 0.00 H new ATOM 1802 N LYS A 119 -1.818 -1.482 11.654 1.00 0.00 N ATOM 1803 CA LYS A 119 -2.487 -1.875 10.412 1.00 0.00 C ATOM 1804 C LYS A 119 -1.820 -3.134 9.830 1.00 0.00 C ATOM 1805 O LYS A 119 -2.526 -4.006 9.305 1.00 0.00 O ATOM 1806 CB LYS A 119 -2.491 -0.691 9.421 1.00 0.00 C ATOM 1807 CG LYS A 119 -3.099 0.620 9.974 1.00 0.00 C ATOM 1808 CD LYS A 119 -4.631 0.658 10.030 1.00 0.00 C ATOM 1809 CE LYS A 119 -5.162 1.398 11.273 1.00 0.00 C ATOM 1810 NZ LYS A 119 -4.844 2.839 11.327 1.00 0.00 N ATOM 0 H LYS A 119 -1.294 -0.610 11.580 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.528 -2.130 10.613 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -1.466 -0.495 9.108 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -3.046 -0.984 8.530 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -2.711 0.786 10.979 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.753 1.450 9.358 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -5.011 1.145 9.132 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -5.016 -0.362 10.027 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -6.245 1.279 11.313 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -4.756 0.918 12.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -5.619 3.348 11.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.962 2.980 11.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -4.727 3.205 10.361 1.00 0.00 H new ATOM 1824 N LEU A 120 -0.494 -3.261 9.991 1.00 0.00 N ATOM 1825 CA LEU A 120 0.241 -4.498 9.754 1.00 0.00 C ATOM 1826 C LEU A 120 -0.389 -5.594 10.592 1.00 0.00 C ATOM 1827 O LEU A 120 -0.861 -6.571 10.028 1.00 0.00 O ATOM 1828 CB LEU A 120 1.741 -4.416 10.098 1.00 0.00 C ATOM 1829 CG LEU A 120 2.626 -3.522 9.223 1.00 0.00 C ATOM 1830 CD1 LEU A 120 4.099 -3.732 9.589 1.00 0.00 C ATOM 1831 CD2 LEU A 120 2.434 -3.781 7.731 1.00 0.00 C ATOM 0 H LEU A 120 0.101 -2.490 10.295 1.00 0.00 H new ATOM 0 HA LEU A 120 0.180 -4.702 8.685 1.00 0.00 H new ATOM 0 HB2 LEU A 120 1.830 -4.071 11.128 1.00 0.00 H new ATOM 0 HB3 LEU A 120 2.148 -5.426 10.064 1.00 0.00 H new ATOM 0 HG LEU A 120 2.327 -2.492 9.417 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.724 -3.094 8.964 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.253 -3.476 10.637 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.369 -4.775 9.427 1.00 0.00 H new ATOM 0 HD21 LEU A 120 3.086 -3.120 7.160 1.00 0.00 H new ATOM 0 HD22 LEU A 120 2.683 -4.818 7.507 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.396 -3.590 7.459 1.00 0.00 H new ATOM 1843 N ASN A 121 -0.456 -5.431 11.917 1.00 0.00 N ATOM 1844 CA ASN A 121 -1.008 -6.464 12.785 1.00 0.00 C ATOM 1845 C ASN A 121 -2.444 -6.840 12.392 1.00 0.00 C ATOM 1846 O ASN A 121 -2.822 -8.009 12.440 1.00 0.00 O ATOM 1847 CB ASN A 121 -0.924 -6.065 14.258 1.00 0.00 C ATOM 1848 CG ASN A 121 -1.180 -7.303 15.102 1.00 0.00 C ATOM 1849 OD1 ASN A 121 -0.292 -8.143 15.250 1.00 0.00 O ATOM 1850 ND2 ASN A 121 -2.383 -7.466 15.619 1.00 0.00 N ATOM 0 H ASN A 121 -0.135 -4.595 12.406 1.00 0.00 H new ATOM 0 HA ASN A 121 -0.393 -7.353 12.647 1.00 0.00 H new ATOM 0 HB2 ASN A 121 0.058 -5.648 14.483 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -1.658 -5.292 14.485 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -2.597 -8.305 16.158 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -3.099 -6.753 15.480 1.00 0.00 H new ATOM 1857 N LYS A 122 -3.239 -5.868 11.934 1.00 0.00 N ATOM 1858 CA LYS A 122 -4.572 -6.114 11.393 1.00 0.00 C ATOM 1859 C LYS A 122 -4.518 -7.043 10.178 1.00 0.00 C ATOM 1860 O LYS A 122 -5.340 -7.955 10.121 1.00 0.00 O ATOM 1861 CB LYS A 122 -5.286 -4.790 11.077 1.00 0.00 C ATOM 1862 CG LYS A 122 -5.698 -4.012 12.334 1.00 0.00 C ATOM 1863 CD LYS A 122 -6.227 -2.611 11.983 1.00 0.00 C ATOM 1864 CE LYS A 122 -5.752 -1.561 12.995 1.00 0.00 C ATOM 1865 NZ LYS A 122 -6.431 -1.658 14.303 1.00 0.00 N ATOM 0 H LYS A 122 -2.971 -4.884 11.930 1.00 0.00 H new ATOM 0 HA LYS A 122 -5.159 -6.627 12.155 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -4.630 -4.166 10.470 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -6.173 -4.997 10.478 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -6.466 -4.568 12.871 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -4.843 -3.922 13.004 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -5.890 -2.334 10.984 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -7.317 -2.628 11.959 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -4.678 -1.670 13.143 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -5.918 -0.567 12.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -6.153 -0.852 14.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -7.461 -1.645 14.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -6.157 -2.545 14.771 1.00 0.00 H new ATOM 1879 N ILE A 123 -3.643 -6.844 9.183 1.00 0.00 N ATOM 1880 CA ILE A 123 -3.570 -7.814 8.062 1.00 0.00 C ATOM 1881 C ILE A 123 -2.846 -9.125 8.414 1.00 0.00 C ATOM 1882 O ILE A 123 -3.137 -10.189 7.852 1.00 0.00 O ATOM 1883 CB ILE A 123 -2.967 -7.186 6.797 1.00 0.00 C ATOM 1884 CG1 ILE A 123 -1.573 -6.571 6.994 1.00 0.00 C ATOM 1885 CG2 ILE A 123 -3.953 -6.150 6.257 1.00 0.00 C ATOM 1886 CD1 ILE A 123 -1.018 -6.002 5.694 1.00 0.00 C ATOM 0 H ILE A 123 -2.997 -6.057 9.122 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.607 -8.082 7.858 1.00 0.00 H new ATOM 0 HB ILE A 123 -2.810 -7.990 6.078 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -1.627 -5.781 7.743 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -0.892 -7.330 7.379 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.543 -5.692 5.357 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.898 -6.637 6.017 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -4.122 -5.381 7.011 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.031 -5.576 5.875 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -0.940 -6.797 4.953 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -1.686 -5.225 5.323 1.00 0.00 H new ATOM 1898 N PHE A 124 -1.920 -9.062 9.358 1.00 0.00 N ATOM 1899 CA PHE A 124 -1.207 -10.214 9.865 1.00 0.00 C ATOM 1900 C PHE A 124 -2.203 -11.188 10.471 1.00 0.00 C ATOM 1901 O PHE A 124 -2.273 -12.335 10.050 1.00 0.00 O ATOM 1902 CB PHE A 124 -0.191 -9.738 10.894 1.00 0.00 C ATOM 1903 CG PHE A 124 1.050 -9.002 10.383 1.00 0.00 C ATOM 1904 CD1 PHE A 124 1.330 -8.858 9.008 1.00 0.00 C ATOM 1905 CD2 PHE A 124 1.951 -8.447 11.309 1.00 0.00 C ATOM 1906 CE1 PHE A 124 2.486 -8.193 8.570 1.00 0.00 C ATOM 1907 CE2 PHE A 124 3.116 -7.786 10.875 1.00 0.00 C ATOM 1908 CZ PHE A 124 3.390 -7.665 9.502 1.00 0.00 C ATOM 0 H PHE A 124 -1.640 -8.186 9.800 1.00 0.00 H new ATOM 0 HA PHE A 124 -0.676 -10.730 9.065 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -0.706 -9.080 11.594 1.00 0.00 H new ATOM 0 HB3 PHE A 124 0.144 -10.607 11.461 1.00 0.00 H new ATOM 0 HD1 PHE A 124 0.644 -9.266 8.281 1.00 0.00 H new ATOM 0 HD2 PHE A 124 1.747 -8.529 12.366 1.00 0.00 H new ATOM 0 HE1 PHE A 124 2.679 -8.088 7.513 1.00 0.00 H new ATOM 0 HE2 PHE A 124 3.801 -7.371 11.599 1.00 0.00 H new ATOM 0 HZ PHE A 124 4.289 -7.169 9.168 1.00 0.00 H new ATOM 1918 N GLU A 125 -3.035 -10.727 11.403 1.00 0.00 N ATOM 1919 CA GLU A 125 -4.056 -11.583 11.971 1.00 0.00 C ATOM 1920 C GLU A 125 -5.109 -11.926 10.920 1.00 0.00 C ATOM 1921 O GLU A 125 -5.454 -13.092 10.758 1.00 0.00 O ATOM 1922 CB GLU A 125 -4.735 -10.907 13.157 1.00 0.00 C ATOM 1923 CG GLU A 125 -3.846 -10.731 14.393 1.00 0.00 C ATOM 1924 CD GLU A 125 -4.597 -10.002 15.512 1.00 0.00 C ATOM 1925 OE1 GLU A 125 -5.833 -9.789 15.412 1.00 0.00 O ATOM 1926 OE2 GLU A 125 -3.962 -9.593 16.510 1.00 0.00 O ATOM 0 H GLU A 125 -3.018 -9.776 11.773 1.00 0.00 H new ATOM 0 HA GLU A 125 -3.570 -12.497 12.313 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -5.093 -9.927 12.842 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -5.611 -11.492 13.437 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -3.515 -11.707 14.749 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -2.952 -10.169 14.125 1.00 0.00 H new ATOM 1933 N LYS A 126 -5.669 -10.922 10.239 1.00 0.00 N ATOM 1934 CA LYS A 126 -6.924 -11.105 9.508 1.00 0.00 C ATOM 1935 C LYS A 126 -6.656 -11.933 8.259 1.00 0.00 C ATOM 1936 O LYS A 126 -7.203 -13.025 8.113 1.00 0.00 O ATOM 1937 CB LYS A 126 -7.595 -9.743 9.243 1.00 0.00 C ATOM 1938 CG LYS A 126 -9.086 -9.788 8.876 1.00 0.00 C ATOM 1939 CD LYS A 126 -9.389 -10.414 7.506 1.00 0.00 C ATOM 1940 CE LYS A 126 -10.014 -9.476 6.467 1.00 0.00 C ATOM 1941 NZ LYS A 126 -11.306 -8.910 6.897 1.00 0.00 N ATOM 0 H LYS A 126 -5.277 -9.982 10.179 1.00 0.00 H new ATOM 0 HA LYS A 126 -7.645 -11.666 10.103 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -7.478 -9.124 10.132 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -7.057 -9.246 8.436 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -9.619 -10.350 9.643 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -9.481 -8.772 8.892 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -8.461 -10.812 7.096 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -10.060 -11.260 7.655 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -9.320 -8.662 6.258 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -10.156 -10.021 5.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -11.780 -8.469 6.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -11.907 -9.668 7.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -11.143 -8.193 7.633 1.00 0.00 H new ATOM 1955 N LEU A 127 -5.859 -11.405 7.325 1.00 0.00 N ATOM 1956 CA LEU A 127 -5.476 -12.132 6.123 1.00 0.00 C ATOM 1957 C LEU A 127 -4.637 -13.361 6.473 1.00 0.00 C ATOM 1958 O LEU A 127 -4.544 -14.282 5.660 1.00 0.00 O ATOM 1959 CB LEU A 127 -4.632 -11.258 5.187 1.00 0.00 C ATOM 1960 CG LEU A 127 -5.079 -9.812 4.904 1.00 0.00 C ATOM 1961 CD1 LEU A 127 -4.216 -9.263 3.766 1.00 0.00 C ATOM 1962 CD2 LEU A 127 -6.562 -9.725 4.553 1.00 0.00 C ATOM 0 H LEU A 127 -5.466 -10.466 7.385 1.00 0.00 H new ATOM 0 HA LEU A 127 -6.403 -12.426 5.631 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -3.624 -11.215 5.599 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -4.564 -11.774 4.229 1.00 0.00 H new ATOM 0 HG LEU A 127 -4.945 -9.215 5.806 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -4.513 -8.238 3.546 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.167 -9.281 4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -4.351 -9.879 2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -6.830 -8.686 4.362 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -6.761 -10.321 3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -7.156 -10.106 5.384 1.00 0.00 H new ATOM 1974 N GLY A 128 -4.003 -13.375 7.648 1.00 0.00 N ATOM 1975 CA GLY A 128 -2.986 -14.354 7.968 1.00 0.00 C ATOM 1976 C GLY A 128 -1.651 -13.933 7.364 1.00 0.00 C ATOM 1977 O GLY A 128 -0.863 -14.822 7.031 1.00 0.00 O ATOM 0 H GLY A 128 -4.186 -12.706 8.396 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -2.891 -14.452 9.049 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -3.277 -15.332 7.584 1.00 0.00 H new ATOM 1981 N MET A 129 -1.398 -12.629 7.145 1.00 0.00 N ATOM 1982 CA MET A 129 -0.089 -12.231 6.619 1.00 0.00 C ATOM 1983 C MET A 129 0.997 -12.452 7.670 1.00 0.00 C ATOM 1984 O MET A 129 2.190 -12.454 7.296 1.00 0.00 O ATOM 1985 CB MET A 129 -0.108 -10.788 6.104 1.00 0.00 C ATOM 1986 CG MET A 129 -0.791 -10.606 4.745 1.00 0.00 C ATOM 1987 SD MET A 129 -0.089 -11.478 3.320 1.00 0.00 S ATOM 1988 CE MET A 129 -1.258 -12.859 3.199 1.00 0.00 C ATOM 1989 OXT MET A 129 0.700 -12.665 8.865 1.00 0.00 O ATOM 0 H MET A 129 -2.053 -11.866 7.316 1.00 0.00 H new ATOM 0 HA MET A 129 0.145 -12.864 5.763 1.00 0.00 H new ATOM 0 HB2 MET A 129 -0.614 -10.161 6.838 1.00 0.00 H new ATOM 0 HB3 MET A 129 0.918 -10.428 6.031 1.00 0.00 H new ATOM 0 HG2 MET A 129 -1.830 -10.917 4.849 1.00 0.00 H new ATOM 0 HG3 MET A 129 -0.799 -9.541 4.515 1.00 0.00 H new ATOM 0 HE1 MET A 129 -0.779 -13.698 2.693 1.00 0.00 H new ATOM 0 HE2 MET A 129 -1.564 -13.165 4.199 1.00 0.00 H new ATOM 0 HE3 MET A 129 -2.134 -12.545 2.632 1.00 0.00 H new