USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 734 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 37 THR OG1 : rot -77:sc= 0.206 USER MOD Set 1.2: A 69 THR OG1 : rot -75:sc= 0.359 USER MOD Single : A 12 MET CE :methyl -164:sc= -0.101 (180deg=-0.457) USER MOD Single : A 13 TYR OH : rot 151:sc= 0.96 USER MOD Single : A 16 THR OG1 : rot 127:sc= 0.456 USER MOD Single : A 19 GLN : amide:sc= 1.84 K(o=1.8,f=-2.8!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0762 X(o=-0.076,f=0) USER MOD Single : A 38 GLN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0457 USER MOD Single : A 47 SER OG : rot 43:sc= 0.126 USER MOD Single : A 50 SER OG : rot 170:sc= -0.0242 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 174:sc= 1.77 (180deg=1.61) USER MOD Single : A 65 THR OG1 : rot 180:sc=-0.00607 USER MOD Single : A 67 SER OG : rot 151:sc= 1.28 USER MOD Single : A 68 THR OG1 : rot 100:sc= 0.199 USER MOD Single : A 71 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0898) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 98 THR OG1 : rot 3:sc= 0.536 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.033 K(o=-0.033,f=-0.62) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 ASN : amide:sc= -0.0323 X(o=-0.032,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 109 N GLY A 10 -19.427 -4.063 -0.586 1.00 0.00 N ATOM 110 CA GLY A 10 -18.027 -4.035 -0.229 1.00 0.00 C ATOM 111 C GLY A 10 -17.822 -4.090 1.275 1.00 0.00 C ATOM 112 O GLY A 10 -18.779 -4.176 2.052 1.00 0.00 O ATOM 0 HA2 GLY A 10 -17.517 -4.878 -0.695 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -17.570 -3.128 -0.624 1.00 0.00 H new ATOM 116 N ALA A 11 -16.571 -3.968 1.709 1.00 0.00 N ATOM 117 CA ALA A 11 -16.213 -3.969 3.118 1.00 0.00 C ATOM 118 C ALA A 11 -15.247 -2.832 3.433 1.00 0.00 C ATOM 119 O ALA A 11 -14.624 -2.257 2.545 1.00 0.00 O ATOM 120 CB ALA A 11 -15.633 -5.335 3.476 1.00 0.00 C ATOM 0 H ALA A 11 -15.772 -3.865 1.084 1.00 0.00 H new ATOM 0 HA ALA A 11 -17.100 -3.797 3.728 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.360 -5.349 4.531 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -16.377 -6.108 3.283 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -14.747 -5.524 2.870 1.00 0.00 H new ATOM 126 N MET A 12 -15.164 -2.488 4.714 1.00 0.00 N ATOM 127 CA MET A 12 -14.234 -1.492 5.234 1.00 0.00 C ATOM 128 C MET A 12 -12.828 -2.087 5.311 1.00 0.00 C ATOM 129 O MET A 12 -12.686 -3.280 5.604 1.00 0.00 O ATOM 130 CB MET A 12 -14.687 -1.080 6.641 1.00 0.00 C ATOM 131 CG MET A 12 -16.034 -0.356 6.588 1.00 0.00 C ATOM 132 SD MET A 12 -16.864 -0.017 8.161 1.00 0.00 S ATOM 133 CE MET A 12 -17.013 -1.688 8.855 1.00 0.00 C ATOM 0 H MET A 12 -15.754 -2.903 5.435 1.00 0.00 H new ATOM 0 HA MET A 12 -14.220 -0.624 4.574 1.00 0.00 H new ATOM 0 HB2 MET A 12 -14.768 -1.963 7.275 1.00 0.00 H new ATOM 0 HB3 MET A 12 -13.938 -0.431 7.094 1.00 0.00 H new ATOM 0 HG2 MET A 12 -15.885 0.594 6.075 1.00 0.00 H new ATOM 0 HG3 MET A 12 -16.710 -0.949 5.972 1.00 0.00 H new ATOM 0 HE1 MET A 12 -17.740 -1.681 9.667 1.00 0.00 H new ATOM 0 HE2 MET A 12 -17.344 -2.377 8.078 1.00 0.00 H new ATOM 0 HE3 MET A 12 -16.045 -2.011 9.238 1.00 0.00 H new ATOM 143 N TYR A 13 -11.804 -1.250 5.135 1.00 0.00 N ATOM 144 CA TYR A 13 -10.422 -1.584 5.457 1.00 0.00 C ATOM 145 C TYR A 13 -9.710 -0.366 6.043 1.00 0.00 C ATOM 146 O TYR A 13 -10.213 0.761 5.980 1.00 0.00 O ATOM 147 CB TYR A 13 -9.686 -2.144 4.225 1.00 0.00 C ATOM 148 CG TYR A 13 -9.295 -1.138 3.152 1.00 0.00 C ATOM 149 CD1 TYR A 13 -8.085 -0.421 3.262 1.00 0.00 C ATOM 150 CD2 TYR A 13 -10.084 -0.993 1.996 1.00 0.00 C ATOM 151 CE1 TYR A 13 -7.661 0.434 2.230 1.00 0.00 C ATOM 152 CE2 TYR A 13 -9.656 -0.159 0.948 1.00 0.00 C ATOM 153 CZ TYR A 13 -8.444 0.557 1.061 1.00 0.00 C ATOM 154 OH TYR A 13 -8.022 1.328 0.022 1.00 0.00 O ATOM 0 H TYR A 13 -11.917 -0.308 4.759 1.00 0.00 H new ATOM 0 HA TYR A 13 -10.417 -2.370 6.212 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -8.781 -2.647 4.567 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -10.318 -2.904 3.766 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -7.478 -0.530 4.149 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -11.021 -1.524 1.913 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -6.743 0.993 2.330 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -10.256 -0.066 0.055 1.00 0.00 H new ATOM 0 HH TYR A 13 -8.379 0.970 -0.817 1.00 0.00 H new ATOM 164 N GLU A 14 -8.535 -0.594 6.617 1.00 0.00 N ATOM 165 CA GLU A 14 -7.584 0.416 7.047 1.00 0.00 C ATOM 166 C GLU A 14 -6.224 -0.204 6.735 1.00 0.00 C ATOM 167 O GLU A 14 -5.947 -1.330 7.152 1.00 0.00 O ATOM 168 CB GLU A 14 -7.819 0.736 8.528 1.00 0.00 C ATOM 169 CG GLU A 14 -6.895 1.826 9.109 1.00 0.00 C ATOM 170 CD GLU A 14 -7.619 2.678 10.166 1.00 0.00 C ATOM 171 OE1 GLU A 14 -8.800 3.057 9.956 1.00 0.00 O ATOM 172 OE2 GLU A 14 -7.054 2.958 11.240 1.00 0.00 O ATOM 0 H GLU A 14 -8.205 -1.541 6.804 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.673 1.379 6.545 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.855 1.051 8.657 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.689 -0.178 9.108 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.017 1.359 9.556 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.539 2.469 8.304 1.00 0.00 H new ATOM 179 N VAL A 15 -5.422 0.458 5.908 1.00 0.00 N ATOM 180 CA VAL A 15 -4.110 -0.030 5.507 1.00 0.00 C ATOM 181 C VAL A 15 -3.091 0.796 6.261 1.00 0.00 C ATOM 182 O VAL A 15 -3.284 1.987 6.505 1.00 0.00 O ATOM 183 CB VAL A 15 -3.981 -0.004 3.966 1.00 0.00 C ATOM 184 CG1 VAL A 15 -3.758 1.400 3.395 1.00 0.00 C ATOM 185 CG2 VAL A 15 -2.876 -0.913 3.411 1.00 0.00 C ATOM 0 H VAL A 15 -5.668 1.357 5.494 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.942 -1.075 5.766 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.950 -0.385 3.642 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.677 1.343 2.310 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.599 2.039 3.663 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.839 1.818 3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.853 -0.836 2.324 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.913 -0.604 3.817 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.076 -1.946 3.697 1.00 0.00 H new ATOM 195 N THR A 16 -2.016 0.148 6.670 1.00 0.00 N ATOM 196 CA THR A 16 -0.946 0.742 7.423 1.00 0.00 C ATOM 197 C THR A 16 0.349 0.265 6.784 1.00 0.00 C ATOM 198 O THR A 16 0.582 -0.942 6.661 1.00 0.00 O ATOM 199 CB THR A 16 -1.092 0.341 8.892 1.00 0.00 C ATOM 200 OG1 THR A 16 -2.433 0.466 9.340 1.00 0.00 O ATOM 201 CG2 THR A 16 -0.270 1.300 9.722 1.00 0.00 C ATOM 0 H THR A 16 -1.866 -0.842 6.476 1.00 0.00 H new ATOM 0 HA THR A 16 -0.959 1.832 7.405 1.00 0.00 H new ATOM 0 HB THR A 16 -0.770 -0.696 8.993 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.722 -0.378 9.745 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.357 1.036 10.776 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.775 1.241 9.418 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.635 2.316 9.572 1.00 0.00 H new ATOM 209 N ILE A 17 1.136 1.212 6.288 1.00 0.00 N ATOM 210 CA ILE A 17 2.359 0.956 5.559 1.00 0.00 C ATOM 211 C ILE A 17 3.449 1.745 6.268 1.00 0.00 C ATOM 212 O ILE A 17 3.311 2.949 6.501 1.00 0.00 O ATOM 213 CB ILE A 17 2.181 1.298 4.057 1.00 0.00 C ATOM 214 CG1 ILE A 17 3.524 1.343 3.302 1.00 0.00 C ATOM 215 CG2 ILE A 17 1.440 2.624 3.821 1.00 0.00 C ATOM 216 CD1 ILE A 17 4.195 -0.024 3.210 1.00 0.00 C ATOM 0 H ILE A 17 0.930 2.206 6.388 1.00 0.00 H new ATOM 0 HA ILE A 17 2.639 -0.097 5.557 1.00 0.00 H new ATOM 0 HB ILE A 17 1.571 0.485 3.663 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.358 1.730 2.297 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.195 2.039 3.805 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.349 2.804 2.750 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.446 2.570 4.266 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.999 3.440 4.280 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.136 0.068 2.668 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.390 -0.402 4.214 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.539 -0.716 2.682 1.00 0.00 H new ATOM 228 N GLU A 18 4.529 1.058 6.616 1.00 0.00 N ATOM 229 CA GLU A 18 5.755 1.663 7.078 1.00 0.00 C ATOM 230 C GLU A 18 6.809 1.376 6.018 1.00 0.00 C ATOM 231 O GLU A 18 7.291 0.248 5.903 1.00 0.00 O ATOM 232 CB GLU A 18 6.130 1.151 8.477 1.00 0.00 C ATOM 233 CG GLU A 18 5.084 1.545 9.533 1.00 0.00 C ATOM 234 CD GLU A 18 5.643 1.629 10.950 1.00 0.00 C ATOM 235 OE1 GLU A 18 6.637 2.360 11.139 1.00 0.00 O ATOM 236 OE2 GLU A 18 5.048 1.051 11.891 1.00 0.00 O ATOM 0 H GLU A 18 4.570 0.039 6.581 1.00 0.00 H new ATOM 0 HA GLU A 18 5.655 2.742 7.199 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.229 0.066 8.452 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.102 1.553 8.762 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.655 2.510 9.264 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.271 0.819 9.515 1.00 0.00 H new ATOM 243 N GLN A 19 7.127 2.390 5.211 1.00 0.00 N ATOM 244 CA GLN A 19 8.455 2.505 4.633 1.00 0.00 C ATOM 245 C GLN A 19 9.365 3.133 5.704 1.00 0.00 C ATOM 246 O GLN A 19 8.908 3.535 6.780 1.00 0.00 O ATOM 247 CB GLN A 19 8.450 3.357 3.343 1.00 0.00 C ATOM 248 CG GLN A 19 7.248 3.148 2.407 1.00 0.00 C ATOM 249 CD GLN A 19 7.587 3.521 0.960 1.00 0.00 C ATOM 250 OE1 GLN A 19 8.050 2.684 0.185 1.00 0.00 O ATOM 251 NE2 GLN A 19 7.346 4.756 0.562 1.00 0.00 N ATOM 0 H GLN A 19 6.483 3.136 4.948 1.00 0.00 H new ATOM 0 HA GLN A 19 8.820 1.520 4.343 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.488 4.409 3.625 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.362 3.143 2.786 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.930 2.106 2.450 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.409 3.752 2.752 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.962 5.437 1.217 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.544 5.029 -0.401 1.00 0.00 H new ATOM 260 N SER A 20 10.652 3.255 5.398 1.00 0.00 N ATOM 261 CA SER A 20 11.646 3.984 6.174 1.00 0.00 C ATOM 262 C SER A 20 12.931 3.985 5.345 1.00 0.00 C ATOM 263 O SER A 20 13.057 3.172 4.411 1.00 0.00 O ATOM 264 CB SER A 20 11.840 3.345 7.569 1.00 0.00 C ATOM 265 OG SER A 20 11.853 1.924 7.528 1.00 0.00 O ATOM 0 H SER A 20 11.049 2.827 4.561 1.00 0.00 H new ATOM 0 HA SER A 20 11.328 5.008 6.368 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.777 3.700 7.999 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.040 3.677 8.230 1.00 0.00 H new ATOM 0 HG SER A 20 11.980 1.572 8.434 1.00 0.00 H new ATOM 271 N GLY A 21 13.896 4.827 5.711 1.00 0.00 N ATOM 272 CA GLY A 21 15.180 4.894 5.035 1.00 0.00 C ATOM 273 C GLY A 21 15.000 5.302 3.579 1.00 0.00 C ATOM 274 O GLY A 21 14.064 6.035 3.238 1.00 0.00 O ATOM 0 H GLY A 21 13.804 5.482 6.488 1.00 0.00 H new ATOM 0 HA2 GLY A 21 15.827 5.611 5.542 1.00 0.00 H new ATOM 0 HA3 GLY A 21 15.676 3.925 5.088 1.00 0.00 H new ATOM 278 N ASP A 22 15.901 4.833 2.719 1.00 0.00 N ATOM 279 CA ASP A 22 15.810 5.099 1.289 1.00 0.00 C ATOM 280 C ASP A 22 14.747 4.159 0.736 1.00 0.00 C ATOM 281 O ASP A 22 14.912 2.937 0.776 1.00 0.00 O ATOM 282 CB ASP A 22 17.157 4.920 0.557 1.00 0.00 C ATOM 283 CG ASP A 22 17.804 6.237 0.104 1.00 0.00 C ATOM 284 OD1 ASP A 22 17.087 7.228 -0.153 1.00 0.00 O ATOM 285 OD2 ASP A 22 19.050 6.276 -0.037 1.00 0.00 O ATOM 0 H ASP A 22 16.704 4.265 2.990 1.00 0.00 H new ATOM 0 HA ASP A 22 15.540 6.142 1.125 1.00 0.00 H new ATOM 0 HB2 ASP A 22 17.849 4.395 1.215 1.00 0.00 H new ATOM 0 HB3 ASP A 22 17.003 4.285 -0.315 1.00 0.00 H new ATOM 290 N PHE A 23 13.637 4.726 0.269 1.00 0.00 N ATOM 291 CA PHE A 23 12.626 4.051 -0.544 1.00 0.00 C ATOM 292 C PHE A 23 12.503 4.707 -1.922 1.00 0.00 C ATOM 293 O PHE A 23 12.200 4.002 -2.882 1.00 0.00 O ATOM 294 CB PHE A 23 11.274 4.018 0.186 1.00 0.00 C ATOM 295 CG PHE A 23 10.830 5.342 0.776 1.00 0.00 C ATOM 296 CD1 PHE A 23 10.220 6.318 -0.033 1.00 0.00 C ATOM 297 CD2 PHE A 23 11.072 5.616 2.136 1.00 0.00 C ATOM 298 CE1 PHE A 23 9.885 7.569 0.510 1.00 0.00 C ATOM 299 CE2 PHE A 23 10.728 6.864 2.680 1.00 0.00 C ATOM 300 CZ PHE A 23 10.136 7.846 1.864 1.00 0.00 C ATOM 0 H PHE A 23 13.408 5.703 0.452 1.00 0.00 H new ATOM 0 HA PHE A 23 12.945 3.020 -0.699 1.00 0.00 H new ATOM 0 HB2 PHE A 23 10.510 3.674 -0.512 1.00 0.00 H new ATOM 0 HB3 PHE A 23 11.329 3.281 0.987 1.00 0.00 H new ATOM 0 HD1 PHE A 23 10.010 6.105 -1.071 1.00 0.00 H new ATOM 0 HD2 PHE A 23 11.524 4.863 2.764 1.00 0.00 H new ATOM 0 HE1 PHE A 23 9.432 8.322 -0.117 1.00 0.00 H new ATOM 0 HE2 PHE A 23 10.917 7.070 3.723 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.876 8.809 2.277 1.00 0.00 H new ATOM 310 N ARG A 24 12.795 6.010 -2.045 1.00 0.00 N ATOM 311 CA ARG A 24 12.768 6.789 -3.291 1.00 0.00 C ATOM 312 C ARG A 24 14.000 6.516 -4.159 1.00 0.00 C ATOM 313 O ARG A 24 14.769 7.409 -4.527 1.00 0.00 O ATOM 314 CB ARG A 24 12.556 8.272 -2.960 1.00 0.00 C ATOM 315 CG ARG A 24 13.623 8.933 -2.074 1.00 0.00 C ATOM 316 CD ARG A 24 13.146 10.347 -1.752 1.00 0.00 C ATOM 317 NE ARG A 24 14.019 11.027 -0.791 1.00 0.00 N ATOM 318 CZ ARG A 24 13.758 12.223 -0.260 1.00 0.00 C ATOM 319 NH1 ARG A 24 12.654 12.878 -0.602 1.00 0.00 N ATOM 320 NH2 ARG A 24 14.597 12.768 0.608 1.00 0.00 N ATOM 0 H ARG A 24 13.069 6.575 -1.241 1.00 0.00 H new ATOM 0 HA ARG A 24 11.924 6.471 -3.903 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.498 8.826 -3.897 1.00 0.00 H new ATOM 0 HB3 ARG A 24 11.589 8.377 -2.467 1.00 0.00 H new ATOM 0 HG2 ARG A 24 13.768 8.360 -1.158 1.00 0.00 H new ATOM 0 HG3 ARG A 24 14.584 8.961 -2.588 1.00 0.00 H new ATOM 0 HD2 ARG A 24 13.100 10.930 -2.672 1.00 0.00 H new ATOM 0 HD3 ARG A 24 12.133 10.303 -1.351 1.00 0.00 H new ATOM 0 HE ARG A 24 14.880 10.557 -0.511 1.00 0.00 H new ATOM 0 HH11 ARG A 24 12.004 12.467 -1.272 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.457 13.792 -0.195 1.00 0.00 H new ATOM 0 HH21 ARG A 24 15.448 12.273 0.874 1.00 0.00 H new ATOM 0 HH22 ARG A 24 14.392 13.683 1.010 1.00 0.00 H new ATOM 334 N SER A 25 14.250 5.237 -4.380 1.00 0.00 N ATOM 335 CA SER A 25 15.362 4.658 -5.109 1.00 0.00 C ATOM 336 C SER A 25 14.911 3.346 -5.774 1.00 0.00 C ATOM 337 O SER A 25 15.723 2.472 -6.066 1.00 0.00 O ATOM 338 CB SER A 25 16.500 4.435 -4.110 1.00 0.00 C ATOM 339 OG SER A 25 17.058 5.672 -3.684 1.00 0.00 O ATOM 0 H SER A 25 13.624 4.515 -4.022 1.00 0.00 H new ATOM 0 HA SER A 25 15.710 5.317 -5.904 1.00 0.00 H new ATOM 0 HB2 SER A 25 16.127 3.884 -3.246 1.00 0.00 H new ATOM 0 HB3 SER A 25 17.276 3.822 -4.569 1.00 0.00 H new ATOM 0 HG SER A 25 17.781 5.502 -3.045 1.00 0.00 H new ATOM 345 N PHE A 26 13.597 3.183 -5.927 1.00 0.00 N ATOM 346 CA PHE A 26 12.898 1.982 -6.342 1.00 0.00 C ATOM 347 C PHE A 26 11.626 2.425 -7.045 1.00 0.00 C ATOM 348 O PHE A 26 10.738 2.952 -6.383 1.00 0.00 O ATOM 349 CB PHE A 26 12.505 1.158 -5.100 1.00 0.00 C ATOM 350 CG PHE A 26 13.623 0.499 -4.321 1.00 0.00 C ATOM 351 CD1 PHE A 26 14.571 -0.289 -4.991 1.00 0.00 C ATOM 352 CD2 PHE A 26 13.678 0.614 -2.919 1.00 0.00 C ATOM 353 CE1 PHE A 26 15.561 -0.975 -4.274 1.00 0.00 C ATOM 354 CE2 PHE A 26 14.663 -0.081 -2.198 1.00 0.00 C ATOM 355 CZ PHE A 26 15.596 -0.887 -2.875 1.00 0.00 C ATOM 0 H PHE A 26 12.950 3.951 -5.748 1.00 0.00 H new ATOM 0 HA PHE A 26 13.529 1.377 -6.993 1.00 0.00 H new ATOM 0 HB2 PHE A 26 11.960 1.813 -4.420 1.00 0.00 H new ATOM 0 HB3 PHE A 26 11.811 0.380 -5.417 1.00 0.00 H new ATOM 0 HD1 PHE A 26 14.538 -0.368 -6.068 1.00 0.00 H new ATOM 0 HD2 PHE A 26 12.964 1.235 -2.399 1.00 0.00 H new ATOM 0 HE1 PHE A 26 16.295 -1.570 -4.798 1.00 0.00 H new ATOM 0 HE2 PHE A 26 14.704 0.004 -1.122 1.00 0.00 H new ATOM 0 HZ PHE A 26 16.339 -1.438 -2.317 1.00 0.00 H new ATOM 365 N ILE A 27 11.495 2.187 -8.345 1.00 0.00 N ATOM 366 CA ILE A 27 10.282 2.506 -9.092 1.00 0.00 C ATOM 367 C ILE A 27 9.205 1.511 -8.683 1.00 0.00 C ATOM 368 O ILE A 27 9.286 0.343 -9.074 1.00 0.00 O ATOM 369 CB ILE A 27 10.566 2.388 -10.597 1.00 0.00 C ATOM 370 CG1 ILE A 27 11.734 3.284 -11.040 1.00 0.00 C ATOM 371 CG2 ILE A 27 9.347 2.658 -11.498 1.00 0.00 C ATOM 372 CD1 ILE A 27 11.531 4.788 -10.803 1.00 0.00 C ATOM 0 H ILE A 27 12.230 1.766 -8.914 1.00 0.00 H new ATOM 0 HA ILE A 27 9.952 3.523 -8.878 1.00 0.00 H new ATOM 0 HB ILE A 27 10.838 1.341 -10.730 1.00 0.00 H new ATOM 0 HG12 ILE A 27 12.634 2.968 -10.513 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.913 3.121 -12.103 1.00 0.00 H new ATOM 0 HG21 ILE A 27 9.637 2.553 -12.543 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.558 1.942 -11.267 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.982 3.670 -11.322 1.00 0.00 H new ATOM 0 HD11 ILE A 27 12.410 5.333 -11.149 1.00 0.00 H new ATOM 0 HD12 ILE A 27 10.654 5.128 -11.353 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.386 4.972 -9.739 1.00 0.00 H new ATOM 384 N LYS A 28 8.186 1.925 -7.925 1.00 0.00 N ATOM 385 CA LYS A 28 7.055 1.036 -7.685 1.00 0.00 C ATOM 386 C LYS A 28 5.719 1.732 -7.660 1.00 0.00 C ATOM 387 O LYS A 28 5.604 2.938 -7.468 1.00 0.00 O ATOM 388 CB LYS A 28 7.261 0.126 -6.461 1.00 0.00 C ATOM 389 CG LYS A 28 7.325 0.774 -5.067 1.00 0.00 C ATOM 390 CD LYS A 28 8.594 1.597 -4.817 1.00 0.00 C ATOM 391 CE LYS A 28 8.886 1.934 -3.347 1.00 0.00 C ATOM 392 NZ LYS A 28 9.343 0.766 -2.560 1.00 0.00 N ATOM 0 H LYS A 28 8.123 2.841 -7.481 1.00 0.00 H new ATOM 0 HA LYS A 28 7.024 0.387 -8.560 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.451 -0.604 -6.450 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.188 -0.428 -6.612 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.456 1.418 -4.937 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.257 -0.008 -4.311 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.446 1.051 -5.222 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.517 2.529 -5.377 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.647 2.713 -3.304 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.985 2.343 -2.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.523 1.058 -1.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.609 0.030 -2.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.219 0.389 -2.975 1.00 0.00 H new ATOM 406 N SER A 29 4.709 0.906 -7.877 1.00 0.00 N ATOM 407 CA SER A 29 3.309 1.272 -7.778 1.00 0.00 C ATOM 408 C SER A 29 2.862 1.176 -6.315 1.00 0.00 C ATOM 409 O SER A 29 3.387 0.354 -5.556 1.00 0.00 O ATOM 410 CB SER A 29 2.485 0.321 -8.664 1.00 0.00 C ATOM 411 OG SER A 29 3.123 0.004 -9.895 1.00 0.00 O ATOM 0 H SER A 29 4.848 -0.071 -8.136 1.00 0.00 H new ATOM 0 HA SER A 29 3.157 2.296 -8.119 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.293 -0.601 -8.115 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.517 0.777 -8.871 1.00 0.00 H new ATOM 0 HG SER A 29 2.553 -0.603 -10.412 1.00 0.00 H new ATOM 417 N VAL A 30 1.828 1.939 -5.952 1.00 0.00 N ATOM 418 CA VAL A 30 1.006 1.734 -4.768 1.00 0.00 C ATOM 419 C VAL A 30 -0.439 1.874 -5.217 1.00 0.00 C ATOM 420 O VAL A 30 -0.916 2.934 -5.620 1.00 0.00 O ATOM 421 CB VAL A 30 1.396 2.659 -3.593 1.00 0.00 C ATOM 422 CG1 VAL A 30 0.310 2.729 -2.508 1.00 0.00 C ATOM 423 CG2 VAL A 30 2.650 2.121 -2.894 1.00 0.00 C ATOM 0 H VAL A 30 1.533 2.747 -6.500 1.00 0.00 H new ATOM 0 HA VAL A 30 1.166 0.740 -4.351 1.00 0.00 H new ATOM 0 HB VAL A 30 1.550 3.645 -4.031 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.638 3.393 -1.708 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.614 3.112 -2.942 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.135 1.732 -2.104 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.917 2.780 -2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.452 1.120 -2.511 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.474 2.080 -3.606 1.00 0.00 H new ATOM 433 N VAL A 31 -1.157 0.766 -5.207 1.00 0.00 N ATOM 434 CA VAL A 31 -2.589 0.778 -4.986 1.00 0.00 C ATOM 435 C VAL A 31 -2.869 1.074 -3.528 1.00 0.00 C ATOM 436 O VAL A 31 -2.381 0.365 -2.645 1.00 0.00 O ATOM 437 CB VAL A 31 -3.235 -0.516 -5.509 1.00 0.00 C ATOM 438 CG1 VAL A 31 -2.402 -1.763 -5.166 1.00 0.00 C ATOM 439 CG2 VAL A 31 -4.665 -0.732 -4.979 1.00 0.00 C ATOM 0 H VAL A 31 -0.764 -0.164 -5.351 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.057 1.577 -5.561 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.274 -0.386 -6.590 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.899 -2.651 -5.556 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.413 -1.674 -5.615 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.303 -1.848 -4.084 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.067 -1.661 -5.384 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.645 -0.789 -3.891 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.297 0.101 -5.287 1.00 0.00 H new ATOM 449 N VAL A 32 -3.660 2.114 -3.296 1.00 0.00 N ATOM 450 CA VAL A 32 -4.652 2.129 -2.261 1.00 0.00 C ATOM 451 C VAL A 32 -5.803 3.064 -2.657 1.00 0.00 C ATOM 452 O VAL A 32 -5.620 4.278 -2.677 1.00 0.00 O ATOM 453 CB VAL A 32 -3.975 2.523 -0.938 1.00 0.00 C ATOM 454 CG1 VAL A 32 -3.185 3.844 -0.937 1.00 0.00 C ATOM 455 CG2 VAL A 32 -4.979 2.529 0.219 1.00 0.00 C ATOM 0 H VAL A 32 -3.619 2.978 -3.837 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.093 1.142 -2.123 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.225 1.743 -0.803 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.756 4.011 0.051 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.385 3.790 -1.676 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.854 4.668 -1.186 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.470 2.811 1.141 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.773 3.246 0.008 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.409 1.534 0.332 1.00 0.00 H new ATOM 465 N VAL A 33 -6.994 2.530 -2.942 1.00 0.00 N ATOM 466 CA VAL A 33 -8.249 3.281 -2.888 1.00 0.00 C ATOM 467 C VAL A 33 -9.404 2.282 -2.723 1.00 0.00 C ATOM 468 O VAL A 33 -9.169 1.090 -2.488 1.00 0.00 O ATOM 469 CB VAL A 33 -8.386 4.241 -4.098 1.00 0.00 C ATOM 470 CG1 VAL A 33 -8.640 3.507 -5.426 1.00 0.00 C ATOM 471 CG2 VAL A 33 -9.427 5.356 -3.866 1.00 0.00 C ATOM 0 H VAL A 33 -7.114 1.556 -3.219 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.270 3.944 -2.023 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.413 4.725 -4.185 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.726 4.234 -6.233 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.810 2.832 -5.633 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -9.564 2.934 -5.354 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.478 5.995 -4.747 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.405 4.909 -3.685 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.135 5.952 -3.001 1.00 0.00 H new ATOM 481 N ALA A 34 -10.641 2.777 -2.789 1.00 0.00 N ATOM 482 CA ALA A 34 -11.849 2.000 -2.966 1.00 0.00 C ATOM 483 C ALA A 34 -12.433 2.286 -4.350 1.00 0.00 C ATOM 484 O ALA A 34 -12.284 3.387 -4.876 1.00 0.00 O ATOM 485 CB ALA A 34 -12.838 2.411 -1.880 1.00 0.00 C ATOM 0 H ALA A 34 -10.826 3.777 -2.716 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.639 0.933 -2.890 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.759 1.839 -1.991 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.404 2.214 -0.900 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.058 3.475 -1.972 1.00 0.00 H new ATOM 491 N ASN A 35 -13.178 1.331 -4.910 1.00 0.00 N ATOM 492 CA ASN A 35 -13.849 1.466 -6.210 1.00 0.00 C ATOM 493 C ASN A 35 -15.276 2.004 -6.112 1.00 0.00 C ATOM 494 O ASN A 35 -16.046 1.906 -7.065 1.00 0.00 O ATOM 495 CB ASN A 35 -13.816 0.123 -6.963 1.00 0.00 C ATOM 496 CG ASN A 35 -13.148 0.282 -8.319 1.00 0.00 C ATOM 497 OD1 ASN A 35 -13.751 0.006 -9.348 1.00 0.00 O ATOM 498 ND2 ASN A 35 -11.901 0.732 -8.314 1.00 0.00 N ATOM 0 H ASN A 35 -13.336 0.426 -4.468 1.00 0.00 H new ATOM 0 HA ASN A 35 -13.292 2.215 -6.773 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.278 -0.618 -6.372 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -14.831 -0.251 -7.094 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.402 0.862 -9.194 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.440 0.948 -7.430 1.00 0.00 H new ATOM 505 N GLY A 36 -15.653 2.520 -4.949 1.00 0.00 N ATOM 506 CA GLY A 36 -16.989 3.011 -4.685 1.00 0.00 C ATOM 507 C GLY A 36 -16.875 4.186 -3.743 1.00 0.00 C ATOM 508 O GLY A 36 -16.939 5.332 -4.181 1.00 0.00 O ATOM 0 H GLY A 36 -15.023 2.608 -4.152 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -17.475 3.312 -5.613 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -17.603 2.226 -4.243 1.00 0.00 H new ATOM 512 N THR A 37 -16.657 3.882 -2.464 1.00 0.00 N ATOM 513 CA THR A 37 -16.585 4.895 -1.425 1.00 0.00 C ATOM 514 C THR A 37 -15.315 5.744 -1.575 1.00 0.00 C ATOM 515 O THR A 37 -14.421 5.410 -2.361 1.00 0.00 O ATOM 516 CB THR A 37 -16.705 4.192 -0.063 1.00 0.00 C ATOM 517 OG1 THR A 37 -17.213 5.072 0.909 1.00 0.00 O ATOM 518 CG2 THR A 37 -15.390 3.603 0.464 1.00 0.00 C ATOM 0 H THR A 37 -16.526 2.929 -2.125 1.00 0.00 H new ATOM 0 HA THR A 37 -17.409 5.603 -1.511 1.00 0.00 H new ATOM 0 HB THR A 37 -17.387 3.361 -0.240 1.00 0.00 H new ATOM 0 HG1 THR A 37 -16.506 5.687 1.196 1.00 0.00 H new ATOM 0 HG21 THR A 37 -15.565 3.126 1.428 1.00 0.00 H new ATOM 0 HG22 THR A 37 -15.013 2.864 -0.243 1.00 0.00 H new ATOM 0 HG23 THR A 37 -14.656 4.400 0.581 1.00 0.00 H new ATOM 526 N GLN A 38 -15.241 6.814 -0.784 1.00 0.00 N ATOM 527 CA GLN A 38 -14.099 7.705 -0.724 1.00 0.00 C ATOM 528 C GLN A 38 -13.033 7.160 0.226 1.00 0.00 C ATOM 529 O GLN A 38 -13.238 6.228 1.010 1.00 0.00 O ATOM 530 CB GLN A 38 -14.581 9.115 -0.337 1.00 0.00 C ATOM 531 CG GLN A 38 -15.093 9.832 -1.593 1.00 0.00 C ATOM 532 CD GLN A 38 -15.749 11.175 -1.290 1.00 0.00 C ATOM 533 OE1 GLN A 38 -16.956 11.350 -1.425 1.00 0.00 O ATOM 534 NE2 GLN A 38 -14.976 12.166 -0.886 1.00 0.00 N ATOM 0 H GLN A 38 -15.996 7.086 -0.154 1.00 0.00 H new ATOM 0 HA GLN A 38 -13.624 7.770 -1.703 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -15.374 9.050 0.409 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -13.765 9.681 0.113 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -14.261 9.988 -2.280 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -15.812 9.190 -2.103 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -13.973 12.018 -0.775 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -15.382 13.080 -0.685 1.00 0.00 H new ATOM 543 N LEU A 39 -11.853 7.755 0.119 1.00 0.00 N ATOM 544 CA LEU A 39 -10.716 7.470 0.983 1.00 0.00 C ATOM 545 C LEU A 39 -10.573 8.591 2.002 1.00 0.00 C ATOM 546 O LEU A 39 -11.019 9.716 1.761 1.00 0.00 O ATOM 547 CB LEU A 39 -9.457 7.267 0.114 1.00 0.00 C ATOM 548 CG LEU A 39 -8.878 5.837 0.122 1.00 0.00 C ATOM 549 CD1 LEU A 39 -7.996 5.609 1.342 1.00 0.00 C ATOM 550 CD2 LEU A 39 -9.930 4.715 0.041 1.00 0.00 C ATOM 0 H LEU A 39 -11.655 8.465 -0.586 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.865 6.547 1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.697 7.539 -0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.685 7.957 0.455 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.289 5.777 -0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.602 4.593 1.321 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.169 6.319 1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.585 5.751 2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.430 3.746 0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.604 4.786 0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.501 4.818 -0.882 1.00 0.00 H new ATOM 562 N LYS A 40 -9.963 8.276 3.143 1.00 0.00 N ATOM 563 CA LYS A 40 -9.815 9.167 4.279 1.00 0.00 C ATOM 564 C LYS A 40 -8.338 9.317 4.605 1.00 0.00 C ATOM 565 O LYS A 40 -7.621 8.318 4.688 1.00 0.00 O ATOM 566 CB LYS A 40 -10.634 8.630 5.465 1.00 0.00 C ATOM 567 CG LYS A 40 -10.309 9.366 6.769 1.00 0.00 C ATOM 568 CD LYS A 40 -11.297 9.059 7.898 1.00 0.00 C ATOM 569 CE LYS A 40 -12.596 9.846 7.681 1.00 0.00 C ATOM 570 NZ LYS A 40 -13.385 10.080 8.911 1.00 0.00 N ATOM 0 H LYS A 40 -9.545 7.359 3.302 1.00 0.00 H new ATOM 0 HA LYS A 40 -10.202 10.159 4.046 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.697 8.732 5.247 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.435 7.566 5.590 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.304 9.094 7.091 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.304 10.440 6.581 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.509 7.990 7.927 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.858 9.323 8.860 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -12.352 10.809 7.233 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -13.216 9.308 6.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -14.244 10.617 8.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.652 9.167 9.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.814 10.621 9.592 1.00 0.00 H new ATOM 584 N ASP A 41 -7.916 10.563 4.804 1.00 0.00 N ATOM 585 CA ASP A 41 -6.590 10.919 5.289 1.00 0.00 C ATOM 586 C ASP A 41 -6.517 10.635 6.791 1.00 0.00 C ATOM 587 O ASP A 41 -7.342 11.129 7.572 1.00 0.00 O ATOM 588 CB ASP A 41 -6.294 12.402 5.021 1.00 0.00 C ATOM 589 CG ASP A 41 -4.806 12.726 5.153 1.00 0.00 C ATOM 590 OD1 ASP A 41 -4.136 12.174 6.052 1.00 0.00 O ATOM 591 OD2 ASP A 41 -4.304 13.561 4.364 1.00 0.00 O ATOM 0 H ASP A 41 -8.507 11.375 4.626 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.845 10.323 4.762 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.634 12.663 4.019 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.861 13.016 5.720 1.00 0.00 H new ATOM 596 N GLY A 42 -5.516 9.864 7.217 1.00 0.00 N ATOM 597 CA GLY A 42 -5.297 9.565 8.626 1.00 0.00 C ATOM 598 C GLY A 42 -4.893 10.785 9.457 1.00 0.00 C ATOM 599 O GLY A 42 -4.932 10.700 10.682 1.00 0.00 O ATOM 0 H GLY A 42 -4.836 9.431 6.592 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.208 9.137 9.044 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.520 8.805 8.711 1.00 0.00 H new ATOM 603 N ALA A 43 -4.512 11.911 8.842 1.00 0.00 N ATOM 604 CA ALA A 43 -4.118 13.133 9.522 1.00 0.00 C ATOM 605 C ALA A 43 -5.264 13.673 10.371 1.00 0.00 C ATOM 606 O ALA A 43 -5.105 13.858 11.577 1.00 0.00 O ATOM 607 CB ALA A 43 -3.709 14.184 8.485 1.00 0.00 C ATOM 0 H ALA A 43 -4.471 11.991 7.826 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.276 12.911 10.177 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.413 15.101 8.994 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.871 13.809 7.897 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.551 14.391 7.825 1.00 0.00 H new ATOM 613 N THR A 44 -6.378 13.983 9.713 1.00 0.00 N ATOM 614 CA THR A 44 -7.454 14.808 10.248 1.00 0.00 C ATOM 615 C THR A 44 -8.830 14.230 9.915 1.00 0.00 C ATOM 616 O THR A 44 -9.849 14.790 10.323 1.00 0.00 O ATOM 617 CB THR A 44 -7.302 16.235 9.692 1.00 0.00 C ATOM 618 OG1 THR A 44 -7.051 16.216 8.300 1.00 0.00 O ATOM 619 CG2 THR A 44 -6.139 16.972 10.341 1.00 0.00 C ATOM 0 H THR A 44 -6.561 13.656 8.764 1.00 0.00 H new ATOM 0 HA THR A 44 -7.382 14.827 11.335 1.00 0.00 H new ATOM 0 HB THR A 44 -8.241 16.744 9.911 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.960 17.135 7.971 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.065 17.975 9.922 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.305 17.039 11.416 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.213 16.430 10.150 1.00 0.00 H new ATOM 627 N GLY A 45 -8.886 13.114 9.182 1.00 0.00 N ATOM 628 CA GLY A 45 -10.138 12.489 8.816 1.00 0.00 C ATOM 629 C GLY A 45 -10.853 13.223 7.691 1.00 0.00 C ATOM 630 O GLY A 45 -12.070 13.062 7.560 1.00 0.00 O ATOM 0 H GLY A 45 -8.061 12.628 8.832 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -9.950 11.460 8.511 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.789 12.449 9.690 1.00 0.00 H new ATOM 634 N GLU A 46 -10.145 14.025 6.893 1.00 0.00 N ATOM 635 CA GLU A 46 -10.724 14.560 5.677 1.00 0.00 C ATOM 636 C GLU A 46 -11.010 13.412 4.714 1.00 0.00 C ATOM 637 O GLU A 46 -10.272 12.425 4.653 1.00 0.00 O ATOM 638 CB GLU A 46 -9.786 15.551 4.994 1.00 0.00 C ATOM 639 CG GLU A 46 -9.562 16.826 5.805 1.00 0.00 C ATOM 640 CD GLU A 46 -9.139 18.029 4.959 1.00 0.00 C ATOM 641 OE1 GLU A 46 -8.645 17.873 3.820 1.00 0.00 O ATOM 642 OE2 GLU A 46 -9.303 19.172 5.454 1.00 0.00 O ATOM 0 H GLU A 46 -9.182 14.311 7.071 1.00 0.00 H new ATOM 0 HA GLU A 46 -11.642 15.084 5.943 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.825 15.068 4.816 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.195 15.816 4.019 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.480 17.073 6.338 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.798 16.637 6.559 1.00 0.00 H new ATOM 649 N SER A 47 -12.070 13.589 3.942 1.00 0.00 N ATOM 650 CA SER A 47 -12.485 12.720 2.855 1.00 0.00 C ATOM 651 C SER A 47 -11.852 13.255 1.582 1.00 0.00 C ATOM 652 O SER A 47 -12.168 14.377 1.169 1.00 0.00 O ATOM 653 CB SER A 47 -14.014 12.698 2.733 1.00 0.00 C ATOM 654 OG SER A 47 -14.580 13.997 2.859 1.00 0.00 O ATOM 0 H SER A 47 -12.696 14.385 4.064 1.00 0.00 H new ATOM 0 HA SER A 47 -12.163 11.695 3.040 1.00 0.00 H new ATOM 0 HB2 SER A 47 -14.294 12.273 1.769 1.00 0.00 H new ATOM 0 HB3 SER A 47 -14.429 12.046 3.502 1.00 0.00 H new ATOM 0 HG SER A 47 -14.039 14.640 2.354 1.00 0.00 H new ATOM 660 N LEU A 48 -10.978 12.479 0.956 1.00 0.00 N ATOM 661 CA LEU A 48 -10.459 12.765 -0.379 1.00 0.00 C ATOM 662 C LEU A 48 -11.444 12.201 -1.387 1.00 0.00 C ATOM 663 O LEU A 48 -12.298 11.386 -1.032 1.00 0.00 O ATOM 664 CB LEU A 48 -9.066 12.145 -0.595 1.00 0.00 C ATOM 665 CG LEU A 48 -7.989 12.504 0.448 1.00 0.00 C ATOM 666 CD1 LEU A 48 -8.000 13.992 0.821 1.00 0.00 C ATOM 667 CD2 LEU A 48 -8.066 11.608 1.688 1.00 0.00 C ATOM 0 H LEU A 48 -10.604 11.622 1.364 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.348 13.842 -0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.174 11.061 -0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.705 12.449 -1.578 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.029 12.311 -0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.222 14.188 1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.815 14.592 -0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.971 14.255 1.240 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.289 11.898 2.395 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.043 11.720 2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.921 10.568 1.395 1.00 0.00 H new ATOM 679 N ALA A 49 -11.354 12.639 -2.638 1.00 0.00 N ATOM 680 CA ALA A 49 -12.138 12.042 -3.702 1.00 0.00 C ATOM 681 C ALA A 49 -11.535 10.683 -4.071 1.00 0.00 C ATOM 682 O ALA A 49 -10.495 10.267 -3.552 1.00 0.00 O ATOM 683 CB ALA A 49 -12.185 12.992 -4.894 1.00 0.00 C ATOM 0 H ALA A 49 -10.747 13.403 -2.935 1.00 0.00 H new ATOM 0 HA ALA A 49 -13.164 11.875 -3.374 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -12.774 12.543 -5.694 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -12.642 13.934 -4.591 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -11.172 13.179 -5.251 1.00 0.00 H new ATOM 689 N SER A 50 -12.183 9.991 -4.998 1.00 0.00 N ATOM 690 CA SER A 50 -11.796 8.664 -5.445 1.00 0.00 C ATOM 691 C SER A 50 -12.088 8.527 -6.950 1.00 0.00 C ATOM 692 O SER A 50 -12.826 9.345 -7.502 1.00 0.00 O ATOM 693 CB SER A 50 -12.514 7.625 -4.564 1.00 0.00 C ATOM 694 OG SER A 50 -13.822 8.039 -4.203 1.00 0.00 O ATOM 0 H SER A 50 -13.013 10.348 -5.471 1.00 0.00 H new ATOM 0 HA SER A 50 -10.726 8.490 -5.331 1.00 0.00 H new ATOM 0 HB2 SER A 50 -12.570 6.676 -5.097 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.928 7.450 -3.662 1.00 0.00 H new ATOM 0 HG SER A 50 -14.298 7.291 -3.785 1.00 0.00 H new ATOM 700 N PRO A 51 -11.505 7.548 -7.659 1.00 0.00 N ATOM 701 CA PRO A 51 -10.384 6.735 -7.221 1.00 0.00 C ATOM 702 C PRO A 51 -9.089 7.570 -7.166 1.00 0.00 C ATOM 703 O PRO A 51 -9.075 8.771 -7.466 1.00 0.00 O ATOM 704 CB PRO A 51 -10.310 5.603 -8.245 1.00 0.00 C ATOM 705 CG PRO A 51 -10.725 6.300 -9.534 1.00 0.00 C ATOM 706 CD PRO A 51 -11.771 7.312 -9.071 1.00 0.00 C ATOM 0 HA PRO A 51 -10.510 6.346 -6.211 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.306 5.184 -8.315 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.982 4.782 -7.993 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.879 6.789 -10.016 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.139 5.596 -10.256 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.697 8.238 -9.642 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.780 6.926 -9.219 1.00 0.00 H new ATOM 714 N VAL A 52 -8.021 6.929 -6.700 1.00 0.00 N ATOM 715 CA VAL A 52 -6.691 7.466 -6.477 1.00 0.00 C ATOM 716 C VAL A 52 -5.779 6.259 -6.678 1.00 0.00 C ATOM 717 O VAL A 52 -5.916 5.269 -5.960 1.00 0.00 O ATOM 718 CB VAL A 52 -6.559 8.020 -5.031 1.00 0.00 C ATOM 719 CG1 VAL A 52 -5.225 8.748 -4.836 1.00 0.00 C ATOM 720 CG2 VAL A 52 -7.675 8.989 -4.618 1.00 0.00 C ATOM 0 H VAL A 52 -8.072 5.941 -6.450 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.450 8.295 -7.142 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.628 7.134 -4.400 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.162 9.124 -3.815 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.403 8.056 -5.019 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.160 9.582 -5.535 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.504 9.326 -3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.677 9.849 -5.288 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.638 8.481 -4.676 1.00 0.00 H new ATOM 730 N ILE A 53 -4.910 6.257 -7.681 1.00 0.00 N ATOM 731 CA ILE A 53 -3.908 5.221 -7.853 1.00 0.00 C ATOM 732 C ILE A 53 -2.546 5.917 -7.930 1.00 0.00 C ATOM 733 O ILE A 53 -2.430 6.980 -8.545 1.00 0.00 O ATOM 734 CB ILE A 53 -4.281 4.352 -9.073 1.00 0.00 C ATOM 735 CG1 ILE A 53 -5.680 3.691 -8.947 1.00 0.00 C ATOM 736 CG2 ILE A 53 -3.241 3.224 -9.169 1.00 0.00 C ATOM 737 CD1 ILE A 53 -6.893 4.406 -9.548 1.00 0.00 C ATOM 0 H ILE A 53 -4.883 6.980 -8.400 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.859 4.522 -7.018 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.299 4.999 -9.950 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.620 2.703 -9.404 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.879 3.540 -7.886 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.473 2.587 -10.023 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.248 3.655 -9.297 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.264 2.629 -8.256 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.790 3.811 -9.373 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -7.008 5.383 -9.079 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.746 4.533 -10.620 1.00 0.00 H new ATOM 749 N LEU A 54 -1.524 5.355 -7.272 1.00 0.00 N ATOM 750 CA LEU A 54 -0.221 5.995 -7.084 1.00 0.00 C ATOM 751 C LEU A 54 0.853 5.255 -7.877 1.00 0.00 C ATOM 752 O LEU A 54 0.733 4.049 -8.137 1.00 0.00 O ATOM 753 CB LEU A 54 0.176 6.023 -5.596 1.00 0.00 C ATOM 754 CG LEU A 54 -0.898 6.521 -4.611 1.00 0.00 C ATOM 755 CD1 LEU A 54 -0.319 6.556 -3.194 1.00 0.00 C ATOM 756 CD2 LEU A 54 -1.433 7.911 -4.959 1.00 0.00 C ATOM 0 H LEU A 54 -1.583 4.428 -6.850 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.302 7.020 -7.445 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.469 5.015 -5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.057 6.655 -5.489 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.732 5.822 -4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.080 6.909 -2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.001 5.554 -2.906 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.537 7.230 -3.167 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.186 8.205 -4.228 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.614 8.630 -4.945 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.881 7.890 -5.953 1.00 0.00 H new ATOM 768 N SER A 55 1.934 5.958 -8.187 1.00 0.00 N ATOM 769 CA SER A 55 3.125 5.474 -8.871 1.00 0.00 C ATOM 770 C SER A 55 4.348 6.137 -8.223 1.00 0.00 C ATOM 771 O SER A 55 4.214 6.718 -7.144 1.00 0.00 O ATOM 772 CB SER A 55 2.959 5.771 -10.368 1.00 0.00 C ATOM 773 OG SER A 55 2.011 4.897 -10.948 1.00 0.00 O ATOM 0 H SER A 55 2.007 6.948 -7.951 1.00 0.00 H new ATOM 0 HA SER A 55 3.270 4.398 -8.778 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.641 6.804 -10.506 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.918 5.663 -10.874 1.00 0.00 H new ATOM 0 HG SER A 55 1.917 5.102 -11.902 1.00 0.00 H new ATOM 779 N ASP A 56 5.544 5.964 -8.797 1.00 0.00 N ATOM 780 CA ASP A 56 6.814 6.190 -8.097 1.00 0.00 C ATOM 781 C ASP A 56 6.928 7.601 -7.508 1.00 0.00 C ATOM 782 O ASP A 56 7.465 7.802 -6.420 1.00 0.00 O ATOM 783 CB ASP A 56 7.994 5.966 -9.046 1.00 0.00 C ATOM 784 CG ASP A 56 9.304 6.294 -8.326 1.00 0.00 C ATOM 785 OD1 ASP A 56 9.658 5.575 -7.371 1.00 0.00 O ATOM 786 OD2 ASP A 56 9.954 7.305 -8.669 1.00 0.00 O ATOM 0 H ASP A 56 5.659 5.662 -9.764 1.00 0.00 H new ATOM 0 HA ASP A 56 6.837 5.475 -7.275 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.006 4.932 -9.390 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.886 6.594 -9.930 1.00 0.00 H new ATOM 791 N GLU A 57 6.405 8.605 -8.203 1.00 0.00 N ATOM 792 CA GLU A 57 6.487 9.999 -7.771 1.00 0.00 C ATOM 793 C GLU A 57 5.674 10.245 -6.491 1.00 0.00 C ATOM 794 O GLU A 57 5.978 11.147 -5.704 1.00 0.00 O ATOM 795 CB GLU A 57 5.965 10.896 -8.890 1.00 0.00 C ATOM 796 CG GLU A 57 6.847 10.862 -10.147 1.00 0.00 C ATOM 797 CD GLU A 57 6.110 11.519 -11.304 1.00 0.00 C ATOM 798 OE1 GLU A 57 5.870 12.750 -11.230 1.00 0.00 O ATOM 799 OE2 GLU A 57 5.686 10.791 -12.228 1.00 0.00 O ATOM 0 H GLU A 57 5.910 8.476 -9.085 1.00 0.00 H new ATOM 0 HA GLU A 57 7.529 10.230 -7.551 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.954 10.587 -9.154 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.900 11.921 -8.526 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.786 11.382 -9.959 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.098 9.832 -10.400 1.00 0.00 H new ATOM 806 N GLU A 58 4.650 9.426 -6.277 1.00 0.00 N ATOM 807 CA GLU A 58 3.701 9.451 -5.173 1.00 0.00 C ATOM 808 C GLU A 58 4.057 8.384 -4.118 1.00 0.00 C ATOM 809 O GLU A 58 3.351 8.219 -3.120 1.00 0.00 O ATOM 810 CB GLU A 58 2.287 9.270 -5.756 1.00 0.00 C ATOM 811 CG GLU A 58 1.837 10.470 -6.618 1.00 0.00 C ATOM 812 CD GLU A 58 0.698 10.151 -7.591 1.00 0.00 C ATOM 813 OE1 GLU A 58 0.758 9.090 -8.260 1.00 0.00 O ATOM 814 OE2 GLU A 58 -0.203 11.010 -7.753 1.00 0.00 O ATOM 0 H GLU A 58 4.447 8.665 -6.926 1.00 0.00 H new ATOM 0 HA GLU A 58 3.742 10.406 -4.650 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.262 8.364 -6.361 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.578 9.128 -4.940 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.521 11.279 -5.959 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.692 10.837 -7.185 1.00 0.00 H new ATOM 821 N LEU A 59 5.176 7.670 -4.280 1.00 0.00 N ATOM 822 CA LEU A 59 5.772 6.821 -3.244 1.00 0.00 C ATOM 823 C LEU A 59 6.572 7.632 -2.218 1.00 0.00 C ATOM 824 O LEU A 59 7.084 7.051 -1.260 1.00 0.00 O ATOM 825 CB LEU A 59 6.649 5.726 -3.885 1.00 0.00 C ATOM 826 CG LEU A 59 5.986 4.346 -3.982 1.00 0.00 C ATOM 827 CD1 LEU A 59 5.834 3.709 -2.592 1.00 0.00 C ATOM 828 CD2 LEU A 59 4.649 4.373 -4.721 1.00 0.00 C ATOM 0 H LEU A 59 5.703 7.666 -5.153 1.00 0.00 H new ATOM 0 HA LEU A 59 4.955 6.345 -2.702 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.933 6.048 -4.887 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.568 5.632 -3.307 1.00 0.00 H new ATOM 0 HG LEU A 59 6.654 3.726 -4.579 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.361 2.732 -2.689 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.817 3.593 -2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.216 4.350 -1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.232 3.367 -4.755 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.958 5.035 -4.199 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.802 4.737 -5.737 1.00 0.00 H new ATOM 840 N ALA A 60 6.637 8.955 -2.382 1.00 0.00 N ATOM 841 CA ALA A 60 7.431 9.937 -1.650 1.00 0.00 C ATOM 842 C ALA A 60 7.014 10.141 -0.184 1.00 0.00 C ATOM 843 O ALA A 60 7.232 11.225 0.370 1.00 0.00 O ATOM 844 CB ALA A 60 7.354 11.256 -2.426 1.00 0.00 C ATOM 0 H ALA A 60 6.077 9.408 -3.104 1.00 0.00 H new ATOM 0 HA ALA A 60 8.451 9.559 -1.586 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.937 12.017 -1.908 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.755 11.112 -3.429 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.315 11.578 -2.493 1.00 0.00 H new ATOM 850 N VAL A 61 6.412 9.145 0.460 1.00 0.00 N ATOM 851 CA VAL A 61 5.894 9.204 1.820 1.00 0.00 C ATOM 852 C VAL A 61 6.488 8.043 2.620 1.00 0.00 C ATOM 853 O VAL A 61 6.558 6.912 2.137 1.00 0.00 O ATOM 854 CB VAL A 61 4.350 9.232 1.808 1.00 0.00 C ATOM 855 CG1 VAL A 61 3.821 10.474 1.074 1.00 0.00 C ATOM 856 CG2 VAL A 61 3.725 7.990 1.160 1.00 0.00 C ATOM 0 H VAL A 61 6.266 8.233 0.026 1.00 0.00 H new ATOM 0 HA VAL A 61 6.196 10.127 2.315 1.00 0.00 H new ATOM 0 HB VAL A 61 4.058 9.255 2.858 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.731 10.465 1.083 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.180 11.373 1.575 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.176 10.466 0.043 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.639 8.074 1.185 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.059 7.912 0.125 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.032 7.100 1.709 1.00 0.00 H new ATOM 866 N GLU A 62 6.954 8.314 3.837 1.00 0.00 N ATOM 867 CA GLU A 62 7.545 7.295 4.707 1.00 0.00 C ATOM 868 C GLU A 62 6.448 6.409 5.285 1.00 0.00 C ATOM 869 O GLU A 62 6.586 5.189 5.376 1.00 0.00 O ATOM 870 CB GLU A 62 8.324 7.916 5.884 1.00 0.00 C ATOM 871 CG GLU A 62 9.252 9.038 5.427 1.00 0.00 C ATOM 872 CD GLU A 62 10.329 9.420 6.436 1.00 0.00 C ATOM 873 OE1 GLU A 62 10.989 8.527 7.019 1.00 0.00 O ATOM 874 OE2 GLU A 62 10.567 10.644 6.579 1.00 0.00 O ATOM 0 H GLU A 62 6.933 9.246 4.250 1.00 0.00 H new ATOM 0 HA GLU A 62 8.236 6.717 4.094 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.620 8.305 6.620 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.909 7.142 6.381 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.734 8.737 4.497 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.652 9.920 5.204 1.00 0.00 H new ATOM 881 N LYS A 63 5.364 7.038 5.727 1.00 0.00 N ATOM 882 CA LYS A 63 4.410 6.428 6.634 1.00 0.00 C ATOM 883 C LYS A 63 3.011 6.859 6.320 1.00 0.00 C ATOM 884 O LYS A 63 2.805 8.004 5.920 1.00 0.00 O ATOM 885 CB LYS A 63 4.777 6.840 8.065 1.00 0.00 C ATOM 886 CG LYS A 63 4.526 5.709 9.063 1.00 0.00 C ATOM 887 CD LYS A 63 5.817 5.271 9.752 1.00 0.00 C ATOM 888 CE LYS A 63 6.917 4.820 8.784 1.00 0.00 C ATOM 889 NZ LYS A 63 7.993 4.062 9.454 1.00 0.00 N ATOM 0 H LYS A 63 5.125 7.993 5.461 1.00 0.00 H new ATOM 0 HA LYS A 63 4.452 5.344 6.525 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.827 7.131 8.102 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.194 7.715 8.352 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.806 6.037 9.813 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.082 4.858 8.546 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.194 6.097 10.355 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.592 4.453 10.437 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.476 4.202 8.002 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.345 5.695 8.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.655 3.696 8.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.502 4.688 10.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.580 3.268 9.983 1.00 0.00 H new ATOM 903 N VAL A 64 2.075 5.919 6.431 1.00 0.00 N ATOM 904 CA VAL A 64 0.733 6.207 6.015 1.00 0.00 C ATOM 905 C VAL A 64 -0.209 5.232 6.733 1.00 0.00 C ATOM 906 O VAL A 64 0.062 4.022 6.772 1.00 0.00 O ATOM 907 CB VAL A 64 0.646 6.021 4.482 1.00 0.00 C ATOM 908 CG1 VAL A 64 -0.454 6.935 4.027 1.00 0.00 C ATOM 909 CG2 VAL A 64 1.864 6.243 3.563 1.00 0.00 C ATOM 0 H VAL A 64 2.228 4.979 6.797 1.00 0.00 H new ATOM 0 HA VAL A 64 0.449 7.230 6.264 1.00 0.00 H new ATOM 0 HB VAL A 64 0.507 4.946 4.369 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.571 6.854 2.946 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.387 6.653 4.515 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.204 7.963 4.289 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.577 6.058 2.528 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.214 7.270 3.664 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.663 5.558 3.846 1.00 0.00 H new ATOM 919 N THR A 65 -1.343 5.759 7.201 1.00 0.00 N ATOM 920 CA THR A 65 -2.509 4.997 7.634 1.00 0.00 C ATOM 921 C THR A 65 -3.728 5.592 6.925 1.00 0.00 C ATOM 922 O THR A 65 -4.227 6.648 7.330 1.00 0.00 O ATOM 923 CB THR A 65 -2.681 5.039 9.163 1.00 0.00 C ATOM 924 OG1 THR A 65 -1.470 4.706 9.812 1.00 0.00 O ATOM 925 CG2 THR A 65 -3.760 4.058 9.637 1.00 0.00 C ATOM 0 H THR A 65 -1.476 6.766 7.291 1.00 0.00 H new ATOM 0 HA THR A 65 -2.387 3.946 7.373 1.00 0.00 H new ATOM 0 HB THR A 65 -2.979 6.056 9.417 1.00 0.00 H new ATOM 0 HG1 THR A 65 -1.599 4.740 10.783 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.853 4.116 10.721 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.714 4.316 9.177 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.481 3.044 9.350 1.00 0.00 H new ATOM 933 N LEU A 66 -4.186 4.967 5.840 1.00 0.00 N ATOM 934 CA LEU A 66 -5.382 5.400 5.119 1.00 0.00 C ATOM 935 C LEU A 66 -6.497 4.391 5.334 1.00 0.00 C ATOM 936 O LEU A 66 -6.239 3.199 5.531 1.00 0.00 O ATOM 937 CB LEU A 66 -5.113 5.523 3.618 1.00 0.00 C ATOM 938 CG LEU A 66 -4.076 6.594 3.254 1.00 0.00 C ATOM 939 CD1 LEU A 66 -3.675 6.377 1.798 1.00 0.00 C ATOM 940 CD2 LEU A 66 -4.562 8.029 3.493 1.00 0.00 C ATOM 0 H LEU A 66 -3.737 4.145 5.436 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.671 6.378 5.504 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.772 4.559 3.241 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -6.050 5.751 3.109 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.217 6.482 3.915 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.937 7.125 1.509 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.247 5.381 1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.554 6.470 1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.776 8.731 3.213 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.449 8.218 2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.807 8.160 4.547 1.00 0.00 H new ATOM 952 N SER A 67 -7.740 4.853 5.237 1.00 0.00 N ATOM 953 CA SER A 67 -8.907 4.065 5.587 1.00 0.00 C ATOM 954 C SER A 67 -10.096 4.536 4.760 1.00 0.00 C ATOM 955 O SER A 67 -10.072 5.602 4.146 1.00 0.00 O ATOM 956 CB SER A 67 -9.097 4.239 7.096 1.00 0.00 C ATOM 957 OG SER A 67 -10.060 3.413 7.717 1.00 0.00 O ATOM 0 H SER A 67 -7.963 5.793 4.910 1.00 0.00 H new ATOM 0 HA SER A 67 -8.797 3.003 5.366 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.137 4.065 7.581 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.367 5.278 7.287 1.00 0.00 H new ATOM 0 HG SER A 67 -9.802 3.254 8.649 1.00 0.00 H new ATOM 963 N THR A 68 -11.139 3.724 4.699 1.00 0.00 N ATOM 964 CA THR A 68 -12.301 4.000 3.868 1.00 0.00 C ATOM 965 C THR A 68 -13.315 4.870 4.614 1.00 0.00 C ATOM 966 O THR A 68 -13.284 4.963 5.845 1.00 0.00 O ATOM 967 CB THR A 68 -12.864 2.661 3.364 1.00 0.00 C ATOM 968 OG1 THR A 68 -12.829 1.608 4.314 1.00 0.00 O ATOM 969 CG2 THR A 68 -12.017 2.203 2.179 1.00 0.00 C ATOM 0 H THR A 68 -11.204 2.853 5.225 1.00 0.00 H new ATOM 0 HA THR A 68 -12.025 4.589 2.993 1.00 0.00 H new ATOM 0 HB THR A 68 -13.909 2.850 3.119 1.00 0.00 H new ATOM 0 HG1 THR A 68 -13.715 1.505 4.721 1.00 0.00 H new ATOM 0 HG21 THR A 68 -12.399 1.253 1.804 1.00 0.00 H new ATOM 0 HG22 THR A 68 -12.064 2.951 1.387 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.982 2.078 2.498 1.00 0.00 H new ATOM 977 N THR A 69 -14.233 5.509 3.886 1.00 0.00 N ATOM 978 CA THR A 69 -15.321 6.278 4.485 1.00 0.00 C ATOM 979 C THR A 69 -16.624 5.461 4.565 1.00 0.00 C ATOM 980 O THR A 69 -17.497 5.771 5.378 1.00 0.00 O ATOM 981 CB THR A 69 -15.484 7.590 3.701 1.00 0.00 C ATOM 982 OG1 THR A 69 -15.681 7.314 2.336 1.00 0.00 O ATOM 983 CG2 THR A 69 -14.257 8.501 3.831 1.00 0.00 C ATOM 0 H THR A 69 -14.242 5.507 2.866 1.00 0.00 H new ATOM 0 HA THR A 69 -15.074 6.520 5.519 1.00 0.00 H new ATOM 0 HB THR A 69 -16.347 8.104 4.124 1.00 0.00 H new ATOM 0 HG1 THR A 69 -14.828 7.054 1.928 1.00 0.00 H new ATOM 0 HG21 THR A 69 -14.420 9.415 3.260 1.00 0.00 H new ATOM 0 HG22 THR A 69 -14.100 8.752 4.880 1.00 0.00 H new ATOM 0 HG23 THR A 69 -13.378 7.984 3.446 1.00 0.00 H new ATOM 991 N GLY A 70 -16.763 4.396 3.765 1.00 0.00 N ATOM 992 CA GLY A 70 -17.960 3.563 3.660 1.00 0.00 C ATOM 993 C GLY A 70 -17.570 2.123 3.338 1.00 0.00 C ATOM 994 O GLY A 70 -17.211 1.387 4.252 1.00 0.00 O ATOM 0 H GLY A 70 -16.012 4.082 3.150 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.519 3.596 4.595 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.617 3.953 2.882 1.00 0.00 H new ATOM 998 N LYS A 71 -17.615 1.683 2.072 1.00 0.00 N ATOM 999 CA LYS A 71 -17.196 0.328 1.686 1.00 0.00 C ATOM 1000 C LYS A 71 -16.303 0.342 0.450 1.00 0.00 C ATOM 1001 O LYS A 71 -16.615 1.002 -0.544 1.00 0.00 O ATOM 1002 CB LYS A 71 -18.425 -0.558 1.433 1.00 0.00 C ATOM 1003 CG LYS A 71 -19.378 -0.698 2.629 1.00 0.00 C ATOM 1004 CD LYS A 71 -18.803 -1.372 3.887 1.00 0.00 C ATOM 1005 CE LYS A 71 -19.413 -0.787 5.165 1.00 0.00 C ATOM 1006 NZ LYS A 71 -20.888 -0.811 5.150 1.00 0.00 N ATOM 0 H LYS A 71 -17.941 2.253 1.291 1.00 0.00 H new ATOM 0 HA LYS A 71 -16.616 -0.083 2.513 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -18.982 -0.150 0.589 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -18.085 -1.551 1.140 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -19.729 0.297 2.904 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -20.251 -1.266 2.306 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -18.997 -2.444 3.848 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -17.721 -1.244 3.907 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -19.053 -1.350 6.026 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -19.071 0.240 5.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -21.249 -0.549 6.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -21.239 -0.134 4.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -21.217 -1.767 4.907 1.00 0.00 H new ATOM 1020 N ALA A 72 -15.188 -0.388 0.504 1.00 0.00 N ATOM 1021 CA ALA A 72 -14.348 -0.648 -0.647 1.00 0.00 C ATOM 1022 C ALA A 72 -14.887 -1.855 -1.374 1.00 0.00 C ATOM 1023 O ALA A 72 -15.314 -2.818 -0.745 1.00 0.00 O ATOM 1024 CB ALA A 72 -12.907 -0.936 -0.233 1.00 0.00 C ATOM 0 H ALA A 72 -14.846 -0.817 1.364 1.00 0.00 H new ATOM 0 HA ALA A 72 -14.355 0.236 -1.285 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.304 -1.127 -1.121 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -12.503 -0.076 0.302 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.883 -1.811 0.416 1.00 0.00 H new ATOM 1030 N ILE A 73 -14.815 -1.773 -2.694 1.00 0.00 N ATOM 1031 CA ILE A 73 -15.274 -2.789 -3.617 1.00 0.00 C ATOM 1032 C ILE A 73 -14.046 -3.592 -4.048 1.00 0.00 C ATOM 1033 O ILE A 73 -13.983 -4.798 -3.839 1.00 0.00 O ATOM 1034 CB ILE A 73 -15.987 -2.104 -4.802 1.00 0.00 C ATOM 1035 CG1 ILE A 73 -17.019 -1.057 -4.323 1.00 0.00 C ATOM 1036 CG2 ILE A 73 -16.597 -3.166 -5.713 1.00 0.00 C ATOM 1037 CD1 ILE A 73 -17.974 -0.558 -5.408 1.00 0.00 C ATOM 0 H ILE A 73 -14.418 -0.961 -3.167 1.00 0.00 H new ATOM 0 HA ILE A 73 -15.996 -3.470 -3.165 1.00 0.00 H new ATOM 0 HB ILE A 73 -15.255 -1.544 -5.384 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -17.606 -1.490 -3.513 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -16.484 -0.203 -3.908 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -17.101 -2.682 -6.550 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -15.809 -3.817 -6.091 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -17.318 -3.758 -5.149 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -18.661 0.172 -4.980 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -17.402 -0.092 -6.210 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -18.541 -1.398 -5.808 1.00 0.00 H new ATOM 1049 N GLU A 74 -13.039 -2.899 -4.580 1.00 0.00 N ATOM 1050 CA GLU A 74 -11.791 -3.443 -5.086 1.00 0.00 C ATOM 1051 C GLU A 74 -10.668 -2.733 -4.331 1.00 0.00 C ATOM 1052 O GLU A 74 -10.746 -1.510 -4.157 1.00 0.00 O ATOM 1053 CB GLU A 74 -11.662 -3.126 -6.587 1.00 0.00 C ATOM 1054 CG GLU A 74 -12.795 -3.650 -7.484 1.00 0.00 C ATOM 1055 CD GLU A 74 -12.946 -5.173 -7.452 1.00 0.00 C ATOM 1056 OE1 GLU A 74 -11.917 -5.878 -7.530 1.00 0.00 O ATOM 1057 OE2 GLU A 74 -14.097 -5.663 -7.366 1.00 0.00 O ATOM 0 H GLU A 74 -13.081 -1.884 -4.672 1.00 0.00 H new ATOM 0 HA GLU A 74 -11.749 -4.524 -4.949 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.601 -2.044 -6.706 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.720 -3.540 -6.946 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -13.735 -3.193 -7.173 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -12.611 -3.333 -8.510 1.00 0.00 H new ATOM 1064 N PHE A 75 -9.638 -3.468 -3.907 1.00 0.00 N ATOM 1065 CA PHE A 75 -8.446 -2.985 -3.213 1.00 0.00 C ATOM 1066 C PHE A 75 -7.357 -4.063 -3.401 1.00 0.00 C ATOM 1067 O PHE A 75 -7.698 -5.249 -3.432 1.00 0.00 O ATOM 1068 CB PHE A 75 -8.836 -2.786 -1.738 1.00 0.00 C ATOM 1069 CG PHE A 75 -7.739 -2.411 -0.766 1.00 0.00 C ATOM 1070 CD1 PHE A 75 -6.687 -1.548 -1.138 1.00 0.00 C ATOM 1071 CD2 PHE A 75 -7.764 -2.968 0.529 1.00 0.00 C ATOM 1072 CE1 PHE A 75 -5.633 -1.305 -0.240 1.00 0.00 C ATOM 1073 CE2 PHE A 75 -6.721 -2.708 1.430 1.00 0.00 C ATOM 1074 CZ PHE A 75 -5.651 -1.888 1.038 1.00 0.00 C ATOM 0 H PHE A 75 -9.614 -4.478 -4.048 1.00 0.00 H new ATOM 0 HA PHE A 75 -8.063 -2.038 -3.594 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.602 -2.011 -1.695 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.296 -3.709 -1.385 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.691 -1.076 -2.109 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.589 -3.597 0.828 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.810 -0.670 -0.533 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -6.741 -3.137 2.421 1.00 0.00 H new ATOM 0 HZ PHE A 75 -4.837 -1.704 1.723 1.00 0.00 H new ATOM 1084 N ALA A 76 -6.081 -3.677 -3.553 1.00 0.00 N ATOM 1085 CA ALA A 76 -4.947 -4.608 -3.644 1.00 0.00 C ATOM 1086 C ALA A 76 -3.727 -4.048 -2.886 1.00 0.00 C ATOM 1087 O ALA A 76 -3.737 -2.861 -2.558 1.00 0.00 O ATOM 1088 CB ALA A 76 -4.659 -4.929 -5.111 1.00 0.00 C ATOM 0 H ALA A 76 -5.805 -2.697 -3.617 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.197 -5.551 -3.158 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.818 -5.619 -5.174 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.539 -5.387 -5.563 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.415 -4.010 -5.643 1.00 0.00 H new ATOM 1094 N VAL A 77 -2.743 -4.893 -2.541 1.00 0.00 N ATOM 1095 CA VAL A 77 -1.567 -4.630 -1.691 1.00 0.00 C ATOM 1096 C VAL A 77 -0.470 -5.597 -2.188 1.00 0.00 C ATOM 1097 O VAL A 77 -0.375 -6.742 -1.744 1.00 0.00 O ATOM 1098 CB VAL A 77 -1.912 -4.798 -0.167 1.00 0.00 C ATOM 1099 CG1 VAL A 77 -0.715 -4.918 0.794 1.00 0.00 C ATOM 1100 CG2 VAL A 77 -2.701 -3.622 0.444 1.00 0.00 C ATOM 0 H VAL A 77 -2.748 -5.857 -2.876 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.220 -3.600 -1.772 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.481 -5.726 -0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.078 -5.029 1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.118 -5.789 0.524 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.100 -4.021 0.723 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.895 -3.823 1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.119 -2.705 0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.648 -3.506 -0.084 1.00 0.00 H new ATOM 1110 N SER A 78 0.362 -5.188 -3.146 1.00 0.00 N ATOM 1111 CA SER A 78 1.471 -6.003 -3.653 1.00 0.00 C ATOM 1112 C SER A 78 2.717 -5.125 -3.833 1.00 0.00 C ATOM 1113 O SER A 78 2.638 -3.903 -3.661 1.00 0.00 O ATOM 1114 CB SER A 78 1.005 -6.735 -4.914 1.00 0.00 C ATOM 1115 OG SER A 78 0.649 -5.848 -5.950 1.00 0.00 O ATOM 0 H SER A 78 0.287 -4.276 -3.596 1.00 0.00 H new ATOM 0 HA SER A 78 1.767 -6.776 -2.944 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.799 -7.395 -5.262 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.150 -7.366 -4.670 1.00 0.00 H new ATOM 0 HG SER A 78 0.360 -6.360 -6.734 1.00 0.00 H new ATOM 1121 N GLY A 79 3.870 -5.735 -4.122 1.00 0.00 N ATOM 1122 CA GLY A 79 5.137 -5.026 -4.240 1.00 0.00 C ATOM 1123 C GLY A 79 5.324 -4.527 -5.658 1.00 0.00 C ATOM 1124 O GLY A 79 4.809 -3.468 -6.008 1.00 0.00 O ATOM 0 H GLY A 79 3.946 -6.740 -4.281 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.159 -4.187 -3.545 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.959 -5.687 -3.967 1.00 0.00 H new ATOM 1128 N GLY A 80 6.021 -5.319 -6.477 1.00 0.00 N ATOM 1129 CA GLY A 80 6.284 -5.024 -7.879 1.00 0.00 C ATOM 1130 C GLY A 80 7.068 -3.727 -8.047 1.00 0.00 C ATOM 1131 O GLY A 80 6.523 -2.702 -8.471 1.00 0.00 O ATOM 0 H GLY A 80 6.426 -6.204 -6.171 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.843 -5.847 -8.325 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.340 -4.950 -8.418 1.00 0.00 H new ATOM 1135 N VAL A 81 8.348 -3.772 -7.693 1.00 0.00 N ATOM 1136 CA VAL A 81 9.333 -2.779 -8.083 1.00 0.00 C ATOM 1137 C VAL A 81 9.828 -3.121 -9.488 1.00 0.00 C ATOM 1138 O VAL A 81 9.799 -4.281 -9.905 1.00 0.00 O ATOM 1139 CB VAL A 81 10.478 -2.750 -7.043 1.00 0.00 C ATOM 1140 CG1 VAL A 81 11.498 -1.660 -7.361 1.00 0.00 C ATOM 1141 CG2 VAL A 81 9.990 -2.424 -5.623 1.00 0.00 C ATOM 0 H VAL A 81 8.734 -4.518 -7.114 1.00 0.00 H new ATOM 0 HA VAL A 81 8.899 -1.779 -8.107 1.00 0.00 H new ATOM 0 HB VAL A 81 10.907 -3.751 -7.091 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.287 -1.670 -6.609 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.931 -1.843 -8.344 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.005 -0.688 -7.357 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.839 -2.418 -4.939 1.00 0.00 H new ATOM 0 HG22 VAL A 81 9.513 -1.444 -5.618 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.271 -3.178 -5.303 1.00 0.00 H new ATOM 1295 N MET A 93 16.916 -1.501 3.536 1.00 0.00 N ATOM 1296 CA MET A 93 15.619 -0.850 3.493 1.00 0.00 C ATOM 1297 C MET A 93 14.634 -1.904 3.969 1.00 0.00 C ATOM 1298 O MET A 93 14.257 -2.826 3.235 1.00 0.00 O ATOM 1299 CB MET A 93 15.265 -0.307 2.087 1.00 0.00 C ATOM 1300 CG MET A 93 16.457 -0.010 1.167 1.00 0.00 C ATOM 1301 SD MET A 93 17.084 -1.503 0.351 1.00 0.00 S ATOM 1302 CE MET A 93 18.375 -0.742 -0.659 1.00 0.00 C ATOM 0 HA MET A 93 15.601 0.037 4.126 1.00 0.00 H new ATOM 0 HB2 MET A 93 14.618 -1.031 1.591 1.00 0.00 H new ATOM 0 HB3 MET A 93 14.686 0.608 2.207 1.00 0.00 H new ATOM 0 HG2 MET A 93 16.158 0.716 0.411 1.00 0.00 H new ATOM 0 HG3 MET A 93 17.257 0.447 1.749 1.00 0.00 H new ATOM 0 HE1 MET A 93 18.882 -1.511 -1.242 1.00 0.00 H new ATOM 0 HE2 MET A 93 17.927 -0.012 -1.333 1.00 0.00 H new ATOM 0 HE3 MET A 93 19.096 -0.243 -0.012 1.00 0.00 H new ATOM 1312 N GLN A 94 14.276 -1.797 5.241 1.00 0.00 N ATOM 1313 CA GLN A 94 13.138 -2.476 5.805 1.00 0.00 C ATOM 1314 C GLN A 94 11.844 -1.890 5.207 1.00 0.00 C ATOM 1315 O GLN A 94 11.828 -0.754 4.708 1.00 0.00 O ATOM 1316 CB GLN A 94 13.223 -2.357 7.339 1.00 0.00 C ATOM 1317 CG GLN A 94 12.285 -3.386 7.967 1.00 0.00 C ATOM 1318 CD GLN A 94 12.391 -3.521 9.483 1.00 0.00 C ATOM 1319 OE1 GLN A 94 12.698 -2.576 10.196 1.00 0.00 O ATOM 1320 NE2 GLN A 94 12.124 -4.703 10.015 1.00 0.00 N ATOM 0 H GLN A 94 14.783 -1.223 5.915 1.00 0.00 H new ATOM 0 HA GLN A 94 13.131 -3.538 5.558 1.00 0.00 H new ATOM 0 HB2 GLN A 94 14.246 -2.526 7.674 1.00 0.00 H new ATOM 0 HB3 GLN A 94 12.946 -1.351 7.655 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.259 -3.121 7.713 1.00 0.00 H new ATOM 0 HG3 GLN A 94 12.484 -4.358 7.517 1.00 0.00 H new ATOM 0 HE21 GLN A 94 11.869 -5.487 9.414 1.00 0.00 H new ATOM 0 HE22 GLN A 94 12.174 -4.830 11.026 1.00 0.00 H new ATOM 1329 N TRP A 95 10.783 -2.693 5.254 1.00 0.00 N ATOM 1330 CA TRP A 95 9.386 -2.378 4.990 1.00 0.00 C ATOM 1331 C TRP A 95 8.562 -3.200 5.991 1.00 0.00 C ATOM 1332 O TRP A 95 8.989 -4.306 6.369 1.00 0.00 O ATOM 1333 CB TRP A 95 9.042 -2.787 3.543 1.00 0.00 C ATOM 1334 CG TRP A 95 8.532 -1.727 2.621 1.00 0.00 C ATOM 1335 CD1 TRP A 95 9.126 -0.538 2.388 1.00 0.00 C ATOM 1336 CD2 TRP A 95 7.356 -1.759 1.755 1.00 0.00 C ATOM 1337 NE1 TRP A 95 8.412 0.156 1.435 1.00 0.00 N ATOM 1338 CE2 TRP A 95 7.285 -0.526 1.045 1.00 0.00 C ATOM 1339 CE3 TRP A 95 6.340 -2.701 1.490 1.00 0.00 C ATOM 1340 CZ2 TRP A 95 6.236 -0.216 0.167 1.00 0.00 C ATOM 1341 CZ3 TRP A 95 5.296 -2.415 0.590 1.00 0.00 C ATOM 1342 CH2 TRP A 95 5.230 -1.169 -0.056 1.00 0.00 C ATOM 0 H TRP A 95 10.894 -3.676 5.503 1.00 0.00 H new ATOM 0 HA TRP A 95 9.177 -1.314 5.100 1.00 0.00 H new ATOM 0 HB2 TRP A 95 9.937 -3.218 3.095 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.295 -3.580 3.588 1.00 0.00 H new ATOM 0 HD1 TRP A 95 10.023 -0.184 2.874 1.00 0.00 H new ATOM 0 HE1 TRP A 95 8.687 1.066 1.064 1.00 0.00 H new ATOM 0 HE3 TRP A 95 6.364 -3.660 1.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 6.203 0.742 -0.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 4.539 -3.160 0.394 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.409 -0.946 -0.721 1.00 0.00 H new ATOM 1353 N VAL A 96 7.391 -2.706 6.398 1.00 0.00 N ATOM 1354 CA VAL A 96 6.414 -3.445 7.196 1.00 0.00 C ATOM 1355 C VAL A 96 5.021 -3.057 6.685 1.00 0.00 C ATOM 1356 O VAL A 96 4.727 -1.871 6.495 1.00 0.00 O ATOM 1357 CB VAL A 96 6.578 -3.159 8.711 1.00 0.00 C ATOM 1358 CG1 VAL A 96 5.686 -4.098 9.540 1.00 0.00 C ATOM 1359 CG2 VAL A 96 8.020 -3.324 9.228 1.00 0.00 C ATOM 0 H VAL A 96 7.090 -1.757 6.176 1.00 0.00 H new ATOM 0 HA VAL A 96 6.567 -4.518 7.084 1.00 0.00 H new ATOM 0 HB VAL A 96 6.289 -2.115 8.830 1.00 0.00 H new ATOM 0 HG11 VAL A 96 5.816 -3.881 10.600 1.00 0.00 H new ATOM 0 HG12 VAL A 96 4.643 -3.947 9.264 1.00 0.00 H new ATOM 0 HG13 VAL A 96 5.967 -5.133 9.344 1.00 0.00 H new ATOM 0 HG21 VAL A 96 8.051 -3.106 10.296 1.00 0.00 H new ATOM 0 HG22 VAL A 96 8.353 -4.348 9.057 1.00 0.00 H new ATOM 0 HG23 VAL A 96 8.678 -2.635 8.698 1.00 0.00 H new ATOM 1369 N VAL A 97 4.163 -4.052 6.451 1.00 0.00 N ATOM 1370 CA VAL A 97 2.780 -3.887 6.023 1.00 0.00 C ATOM 1371 C VAL A 97 1.940 -4.834 6.884 1.00 0.00 C ATOM 1372 O VAL A 97 2.421 -5.884 7.324 1.00 0.00 O ATOM 1373 CB VAL A 97 2.621 -4.177 4.509 1.00 0.00 C ATOM 1374 CG1 VAL A 97 1.357 -3.502 3.958 1.00 0.00 C ATOM 1375 CG2 VAL A 97 3.800 -3.684 3.659 1.00 0.00 C ATOM 0 H VAL A 97 4.427 -5.031 6.560 1.00 0.00 H new ATOM 0 HA VAL A 97 2.447 -2.858 6.158 1.00 0.00 H new ATOM 0 HB VAL A 97 2.567 -5.263 4.435 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.264 -3.718 2.894 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.482 -3.884 4.484 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.427 -2.424 4.105 1.00 0.00 H new ATOM 0 HG21 VAL A 97 3.618 -3.922 2.611 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.905 -2.605 3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 97 4.716 -4.174 3.988 1.00 0.00 H new ATOM 1385 N THR A 98 0.716 -4.435 7.203 1.00 0.00 N ATOM 1386 CA THR A 98 -0.230 -5.174 8.024 1.00 0.00 C ATOM 1387 C THR A 98 -1.602 -4.596 7.672 1.00 0.00 C ATOM 1388 O THR A 98 -1.901 -3.458 8.041 1.00 0.00 O ATOM 1389 CB THR A 98 0.128 -4.960 9.505 1.00 0.00 C ATOM 1390 OG1 THR A 98 1.430 -5.445 9.808 1.00 0.00 O ATOM 1391 CG2 THR A 98 -0.833 -5.661 10.455 1.00 0.00 C ATOM 0 H THR A 98 0.339 -3.544 6.880 1.00 0.00 H new ATOM 0 HA THR A 98 -0.216 -6.250 7.848 1.00 0.00 H new ATOM 0 HB THR A 98 0.069 -3.881 9.649 1.00 0.00 H new ATOM 0 HG1 THR A 98 1.852 -5.782 8.990 1.00 0.00 H new ATOM 0 HG21 THR A 98 -0.529 -5.473 11.485 1.00 0.00 H new ATOM 0 HG22 THR A 98 -1.842 -5.279 10.299 1.00 0.00 H new ATOM 0 HG23 THR A 98 -0.818 -6.734 10.262 1.00 0.00 H new ATOM 1399 N VAL A 99 -2.385 -5.268 6.834 1.00 0.00 N ATOM 1400 CA VAL A 99 -3.732 -4.816 6.470 1.00 0.00 C ATOM 1401 C VAL A 99 -4.690 -5.107 7.637 1.00 0.00 C ATOM 1402 O VAL A 99 -4.600 -6.156 8.291 1.00 0.00 O ATOM 1403 CB VAL A 99 -4.205 -5.464 5.144 1.00 0.00 C ATOM 1404 CG1 VAL A 99 -5.505 -4.826 4.631 1.00 0.00 C ATOM 1405 CG2 VAL A 99 -3.156 -5.334 4.026 1.00 0.00 C ATOM 0 H VAL A 99 -2.108 -6.141 6.386 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.720 -3.741 6.292 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.366 -6.516 5.379 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -5.804 -5.307 3.700 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.291 -4.954 5.375 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.343 -3.763 4.454 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.533 -5.803 3.117 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.957 -4.280 3.835 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.234 -5.827 4.333 1.00 0.00 H new ATOM 1415 N TYR A 100 -5.648 -4.205 7.863 1.00 0.00 N ATOM 1416 CA TYR A 100 -6.787 -4.379 8.753 1.00 0.00 C ATOM 1417 C TYR A 100 -8.033 -4.315 7.874 1.00 0.00 C ATOM 1418 O TYR A 100 -8.090 -3.544 6.913 1.00 0.00 O ATOM 1419 CB TYR A 100 -6.829 -3.289 9.844 1.00 0.00 C ATOM 1420 CG TYR A 100 -5.548 -3.110 10.653 1.00 0.00 C ATOM 1421 CD1 TYR A 100 -4.391 -2.556 10.069 1.00 0.00 C ATOM 1422 CD2 TYR A 100 -5.509 -3.496 12.006 1.00 0.00 C ATOM 1423 CE1 TYR A 100 -3.187 -2.472 10.791 1.00 0.00 C ATOM 1424 CE2 TYR A 100 -4.310 -3.404 12.742 1.00 0.00 C ATOM 1425 CZ TYR A 100 -3.135 -2.913 12.129 1.00 0.00 C ATOM 1426 OH TYR A 100 -1.986 -2.799 12.853 1.00 0.00 O ATOM 0 H TYR A 100 -5.646 -3.293 7.407 1.00 0.00 H new ATOM 0 HA TYR A 100 -6.720 -5.331 9.280 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -7.074 -2.338 9.371 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -7.642 -3.522 10.532 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -4.430 -2.191 9.053 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -6.404 -3.865 12.484 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -2.302 -2.070 10.320 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -4.289 -3.710 13.778 1.00 0.00 H new ATOM 0 HH TYR A 100 -2.132 -3.152 13.756 1.00 0.00 H new ATOM 1436 N LYS A 101 -9.034 -5.128 8.198 1.00 0.00 N ATOM 1437 CA LYS A 101 -10.346 -5.103 7.557 1.00 0.00 C ATOM 1438 C LYS A 101 -11.309 -4.472 8.558 1.00 0.00 C ATOM 1439 O LYS A 101 -10.877 -3.897 9.557 1.00 0.00 O ATOM 1440 CB LYS A 101 -10.726 -6.532 7.123 1.00 0.00 C ATOM 1441 CG LYS A 101 -11.733 -6.621 5.959 1.00 0.00 C ATOM 1442 CD LYS A 101 -11.960 -8.089 5.585 1.00 0.00 C ATOM 1443 CE LYS A 101 -13.038 -8.242 4.508 1.00 0.00 C ATOM 1444 NZ LYS A 101 -13.266 -9.661 4.167 1.00 0.00 N ATOM 0 H LYS A 101 -8.955 -5.837 8.927 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.369 -4.507 6.644 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.817 -7.061 6.837 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.142 -7.057 7.983 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -12.677 -6.158 6.246 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.357 -6.070 5.097 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.025 -8.522 5.228 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.252 -8.649 6.473 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -13.969 -7.797 4.858 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.740 -7.695 3.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -14.002 -9.728 3.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.383 -10.078 3.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -13.574 -10.177 5.016 1.00 0.00 H new ATOM 1458 N ASN A 102 -12.603 -4.623 8.301 1.00 0.00 N ATOM 1459 CA ASN A 102 -13.751 -4.406 9.176 1.00 0.00 C ATOM 1460 C ASN A 102 -13.570 -4.990 10.586 1.00 0.00 C ATOM 1461 O ASN A 102 -14.200 -5.983 10.961 1.00 0.00 O ATOM 1462 CB ASN A 102 -15.043 -4.908 8.490 1.00 0.00 C ATOM 1463 CG ASN A 102 -15.000 -6.352 7.976 1.00 0.00 C ATOM 1464 OD1 ASN A 102 -14.159 -7.169 8.331 1.00 0.00 O ATOM 1465 ND2 ASN A 102 -15.879 -6.700 7.053 1.00 0.00 N ATOM 0 H ASN A 102 -12.906 -4.933 7.378 1.00 0.00 H new ATOM 0 HA ASN A 102 -13.838 -3.331 9.334 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -15.868 -4.817 9.197 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -15.268 -4.249 7.651 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -15.850 -7.636 6.648 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -16.586 -6.033 6.745 1.00 0.00 H new ATOM 1472 N GLY A 103 -12.744 -4.345 11.408 1.00 0.00 N ATOM 1473 CA GLY A 103 -12.786 -4.440 12.854 1.00 0.00 C ATOM 1474 C GLY A 103 -11.505 -4.951 13.490 1.00 0.00 C ATOM 1475 O GLY A 103 -11.393 -4.832 14.709 1.00 0.00 O ATOM 0 H GLY A 103 -12.008 -3.725 11.070 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -13.012 -3.456 13.264 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -13.606 -5.100 13.138 1.00 0.00 H new ATOM 1479 N LYS A 104 -10.571 -5.538 12.730 1.00 0.00 N ATOM 1480 CA LYS A 104 -9.273 -5.955 13.236 1.00 0.00 C ATOM 1481 C LYS A 104 -8.295 -6.226 12.101 1.00 0.00 C ATOM 1482 O LYS A 104 -8.692 -6.290 10.932 1.00 0.00 O ATOM 1483 CB LYS A 104 -9.396 -7.185 14.151 1.00 0.00 C ATOM 1484 CG LYS A 104 -9.787 -8.501 13.466 1.00 0.00 C ATOM 1485 CD LYS A 104 -9.658 -9.652 14.469 1.00 0.00 C ATOM 1486 CE LYS A 104 -10.159 -10.944 13.828 1.00 0.00 C ATOM 1487 NZ LYS A 104 -10.034 -12.104 14.724 1.00 0.00 N ATOM 0 H LYS A 104 -10.704 -5.735 11.738 1.00 0.00 H new ATOM 0 HA LYS A 104 -8.879 -5.131 13.831 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -8.442 -7.332 14.657 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -10.135 -6.967 14.921 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -10.810 -8.441 13.094 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.144 -8.681 12.604 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -8.619 -9.765 14.777 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -10.234 -9.432 15.368 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -11.203 -10.822 13.541 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -9.597 -11.133 12.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -10.387 -12.955 14.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -9.035 -12.240 14.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -10.591 -11.938 15.586 1.00 0.00 H new ATOM 1501 N GLU A 105 -7.043 -6.440 12.495 1.00 0.00 N ATOM 1502 CA GLU A 105 -5.915 -6.923 11.718 1.00 0.00 C ATOM 1503 C GLU A 105 -6.276 -8.224 10.995 1.00 0.00 C ATOM 1504 O GLU A 105 -6.922 -9.096 11.581 1.00 0.00 O ATOM 1505 CB GLU A 105 -4.780 -7.187 12.719 1.00 0.00 C ATOM 1506 CG GLU A 105 -3.427 -7.351 12.036 1.00 0.00 C ATOM 1507 CD GLU A 105 -2.419 -8.036 12.954 1.00 0.00 C ATOM 1508 OE1 GLU A 105 -1.871 -7.391 13.876 1.00 0.00 O ATOM 1509 OE2 GLU A 105 -2.187 -9.251 12.763 1.00 0.00 O ATOM 0 H GLU A 105 -6.771 -6.261 13.462 1.00 0.00 H new ATOM 0 HA GLU A 105 -5.625 -6.194 10.961 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -4.727 -6.362 13.430 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -5.006 -8.087 13.291 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -3.547 -7.936 11.124 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -3.046 -6.373 11.740 1.00 0.00 H new ATOM 1516 N ILE A 106 -5.832 -8.385 9.746 1.00 0.00 N ATOM 1517 CA ILE A 106 -6.083 -9.591 8.956 1.00 0.00 C ATOM 1518 C ILE A 106 -4.854 -10.083 8.175 1.00 0.00 C ATOM 1519 O ILE A 106 -4.897 -11.172 7.606 1.00 0.00 O ATOM 1520 CB ILE A 106 -7.272 -9.358 8.000 1.00 0.00 C ATOM 1521 CG1 ILE A 106 -7.000 -8.201 7.010 1.00 0.00 C ATOM 1522 CG2 ILE A 106 -8.586 -9.106 8.763 1.00 0.00 C ATOM 1523 CD1 ILE A 106 -7.663 -8.464 5.662 1.00 0.00 C ATOM 0 H ILE A 106 -5.286 -7.679 9.253 1.00 0.00 H new ATOM 0 HA ILE A 106 -6.325 -10.382 9.666 1.00 0.00 H new ATOM 0 HB ILE A 106 -7.385 -10.278 7.426 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -7.375 -7.266 7.427 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -5.925 -8.081 6.873 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -9.396 -8.947 8.051 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -8.816 -9.970 9.387 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -8.478 -8.223 9.392 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -7.455 -7.634 4.986 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -7.268 -9.387 5.236 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -8.740 -8.559 5.799 1.00 0.00 H new ATOM 1535 N GLU A 107 -3.766 -9.320 8.124 1.00 0.00 N ATOM 1536 CA GLU A 107 -2.610 -9.583 7.269 1.00 0.00 C ATOM 1537 C GLU A 107 -1.346 -9.282 8.083 1.00 0.00 C ATOM 1538 O GLU A 107 -1.473 -8.817 9.218 1.00 0.00 O ATOM 1539 CB GLU A 107 -2.792 -8.724 6.020 1.00 0.00 C ATOM 1540 CG GLU A 107 -1.817 -8.981 4.871 1.00 0.00 C ATOM 1541 CD GLU A 107 -0.442 -8.344 5.031 1.00 0.00 C ATOM 1542 OE1 GLU A 107 -0.358 -7.191 5.511 1.00 0.00 O ATOM 1543 OE2 GLU A 107 0.513 -9.120 4.794 1.00 0.00 O ATOM 0 H GLU A 107 -3.660 -8.479 8.691 1.00 0.00 H new ATOM 0 HA GLU A 107 -2.516 -10.618 6.941 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -3.806 -8.873 5.648 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -2.709 -7.677 6.310 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -1.690 -10.058 4.758 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -2.264 -8.614 3.947 1.00 0.00 H new ATOM 1550 N LYS A 108 -0.151 -9.590 7.573 1.00 0.00 N ATOM 1551 CA LYS A 108 1.142 -9.160 8.103 1.00 0.00 C ATOM 1552 C LYS A 108 2.301 -9.596 7.195 1.00 0.00 C ATOM 1553 O LYS A 108 2.668 -10.775 7.170 1.00 0.00 O ATOM 1554 CB LYS A 108 1.393 -9.718 9.512 1.00 0.00 C ATOM 1555 CG LYS A 108 1.042 -11.217 9.618 1.00 0.00 C ATOM 1556 CD LYS A 108 2.104 -12.019 10.365 1.00 0.00 C ATOM 1557 CE LYS A 108 2.263 -11.425 11.761 1.00 0.00 C ATOM 1558 NZ LYS A 108 3.083 -12.272 12.638 1.00 0.00 N ATOM 0 H LYS A 108 -0.056 -10.173 6.741 1.00 0.00 H new ATOM 0 HA LYS A 108 1.103 -8.072 8.145 1.00 0.00 H new ATOM 0 HB2 LYS A 108 2.440 -9.572 9.777 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.800 -9.156 10.234 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.085 -11.327 10.127 1.00 0.00 H new ATOM 0 HG3 LYS A 108 0.919 -11.629 8.616 1.00 0.00 H new ATOM 0 HD2 LYS A 108 1.812 -13.067 10.430 1.00 0.00 H new ATOM 0 HD3 LYS A 108 3.052 -11.985 9.828 1.00 0.00 H new ATOM 0 HE2 LYS A 108 2.719 -10.438 11.684 1.00 0.00 H new ATOM 0 HE3 LYS A 108 1.279 -11.288 12.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 3.162 -11.827 13.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 2.636 -13.206 12.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 4.031 -12.383 12.226 1.00 0.00 H new ATOM 1572 N LYS A 109 2.961 -8.661 6.520 1.00 0.00 N ATOM 1573 CA LYS A 109 4.188 -8.935 5.766 1.00 0.00 C ATOM 1574 C LYS A 109 5.305 -7.945 6.068 1.00 0.00 C ATOM 1575 O LYS A 109 5.089 -6.744 6.209 1.00 0.00 O ATOM 1576 CB LYS A 109 3.876 -9.034 4.260 1.00 0.00 C ATOM 1577 CG LYS A 109 3.622 -10.502 3.866 1.00 0.00 C ATOM 1578 CD LYS A 109 4.947 -11.276 3.741 1.00 0.00 C ATOM 1579 CE LYS A 109 4.788 -12.756 4.085 1.00 0.00 C ATOM 1580 NZ LYS A 109 6.098 -13.438 4.088 1.00 0.00 N ATOM 0 H LYS A 109 2.662 -7.687 6.478 1.00 0.00 H new ATOM 0 HA LYS A 109 4.570 -9.901 6.097 1.00 0.00 H new ATOM 0 HB2 LYS A 109 3.001 -8.429 4.022 1.00 0.00 H new ATOM 0 HB3 LYS A 109 4.708 -8.633 3.681 1.00 0.00 H new ATOM 0 HG2 LYS A 109 2.987 -10.978 4.613 1.00 0.00 H new ATOM 0 HG3 LYS A 109 3.083 -10.540 2.919 1.00 0.00 H new ATOM 0 HD2 LYS A 109 5.327 -11.180 2.724 1.00 0.00 H new ATOM 0 HD3 LYS A 109 5.690 -10.829 4.402 1.00 0.00 H new ATOM 0 HE2 LYS A 109 4.318 -12.858 5.063 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.126 -13.233 3.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 5.966 -14.442 4.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 6.533 -13.358 3.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 6.719 -12.995 4.795 1.00 0.00 H new ATOM 1594 N SER A 110 6.531 -8.461 6.110 1.00 0.00 N ATOM 1595 CA SER A 110 7.749 -7.782 6.517 1.00 0.00 C ATOM 1596 C SER A 110 8.837 -8.063 5.478 1.00 0.00 C ATOM 1597 O SER A 110 9.084 -9.229 5.153 1.00 0.00 O ATOM 1598 CB SER A 110 8.150 -8.276 7.920 1.00 0.00 C ATOM 1599 OG SER A 110 7.498 -9.476 8.337 1.00 0.00 O ATOM 0 H SER A 110 6.707 -9.429 5.842 1.00 0.00 H new ATOM 0 HA SER A 110 7.602 -6.703 6.571 1.00 0.00 H new ATOM 0 HB2 SER A 110 9.228 -8.438 7.939 1.00 0.00 H new ATOM 0 HB3 SER A 110 7.933 -7.490 8.643 1.00 0.00 H new ATOM 0 HG SER A 110 7.808 -9.722 9.234 1.00 0.00 H new ATOM 1605 N LEU A 111 9.491 -7.019 4.960 1.00 0.00 N ATOM 1606 CA LEU A 111 10.551 -7.111 3.955 1.00 0.00 C ATOM 1607 C LEU A 111 11.801 -6.397 4.456 1.00 0.00 C ATOM 1608 O LEU A 111 11.729 -5.563 5.361 1.00 0.00 O ATOM 1609 CB LEU A 111 10.085 -6.472 2.640 1.00 0.00 C ATOM 1610 CG LEU A 111 8.949 -7.223 1.927 1.00 0.00 C ATOM 1611 CD1 LEU A 111 8.393 -6.319 0.829 1.00 0.00 C ATOM 1612 CD2 LEU A 111 9.433 -8.541 1.309 1.00 0.00 C ATOM 0 H LEU A 111 9.290 -6.058 5.238 1.00 0.00 H new ATOM 0 HA LEU A 111 10.781 -8.162 3.779 1.00 0.00 H new ATOM 0 HB2 LEU A 111 9.756 -5.453 2.844 1.00 0.00 H new ATOM 0 HB3 LEU A 111 10.937 -6.403 1.964 1.00 0.00 H new ATOM 0 HG LEU A 111 8.180 -7.469 2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 111 7.584 -6.833 0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 111 8.012 -5.399 1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 111 9.185 -6.079 0.120 1.00 0.00 H new ATOM 0 HD21 LEU A 111 8.599 -9.039 0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 111 10.216 -8.335 0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 111 9.829 -9.187 2.093 1.00 0.00 H new ATOM 1827 N ASN A 125 1.501 -10.674 -3.655 1.00 0.00 N ATOM 1828 CA ASN A 125 0.427 -10.428 -4.621 1.00 0.00 C ATOM 1829 C ASN A 125 -0.975 -10.431 -3.983 1.00 0.00 C ATOM 1830 O ASN A 125 -1.839 -11.216 -4.375 1.00 0.00 O ATOM 1831 CB ASN A 125 0.542 -11.440 -5.784 1.00 0.00 C ATOM 1832 CG ASN A 125 0.324 -10.724 -7.096 1.00 0.00 C ATOM 1833 OD1 ASN A 125 -0.763 -10.728 -7.661 1.00 0.00 O ATOM 1834 ND2 ASN A 125 1.359 -10.076 -7.595 1.00 0.00 N ATOM 0 HA ASN A 125 0.553 -9.419 -5.014 1.00 0.00 H new ATOM 0 HB2 ASN A 125 1.524 -11.912 -5.774 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -0.195 -12.234 -5.664 1.00 0.00 H new ATOM 0 HD21 ASN A 125 1.265 -9.562 -8.471 1.00 0.00 H new ATOM 0 HD22 ASN A 125 2.253 -10.089 -7.105 1.00 0.00 H new ATOM 1841 N LEU A 126 -1.223 -9.590 -2.972 1.00 0.00 N ATOM 1842 CA LEU A 126 -2.492 -9.634 -2.239 1.00 0.00 C ATOM 1843 C LEU A 126 -3.581 -8.851 -2.987 1.00 0.00 C ATOM 1844 O LEU A 126 -3.303 -7.795 -3.569 1.00 0.00 O ATOM 1845 CB LEU A 126 -2.343 -9.061 -0.816 1.00 0.00 C ATOM 1846 CG LEU A 126 -1.098 -9.455 -0.001 1.00 0.00 C ATOM 1847 CD1 LEU A 126 -1.241 -8.919 1.424 1.00 0.00 C ATOM 1848 CD2 LEU A 126 -0.886 -10.964 0.064 1.00 0.00 C ATOM 0 H LEU A 126 -0.569 -8.878 -2.646 1.00 0.00 H new ATOM 0 HA LEU A 126 -2.783 -10.682 -2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -2.362 -7.974 -0.891 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -3.223 -9.356 -0.244 1.00 0.00 H new ATOM 0 HG LEU A 126 -0.234 -9.022 -0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -0.362 -9.195 2.006 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -1.332 -7.833 1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -2.131 -9.346 1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 126 0.006 -11.181 0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -1.752 -11.433 0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -0.761 -11.358 -0.945 1.00 0.00 H new ATOM 1860 N TYR A 127 -4.841 -9.279 -2.861 1.00 0.00 N ATOM 1861 CA TYR A 127 -6.034 -8.568 -3.326 1.00 0.00 C ATOM 1862 C TYR A 127 -7.147 -8.765 -2.294 1.00 0.00 C ATOM 1863 O TYR A 127 -7.132 -9.747 -1.545 1.00 0.00 O ATOM 1864 CB TYR A 127 -6.462 -9.094 -4.714 1.00 0.00 C ATOM 1865 CG TYR A 127 -6.824 -8.038 -5.753 1.00 0.00 C ATOM 1866 CD1 TYR A 127 -8.065 -7.371 -5.715 1.00 0.00 C ATOM 1867 CD2 TYR A 127 -5.921 -7.737 -6.793 1.00 0.00 C ATOM 1868 CE1 TYR A 127 -8.395 -6.410 -6.691 1.00 0.00 C ATOM 1869 CE2 TYR A 127 -6.249 -6.790 -7.783 1.00 0.00 C ATOM 1870 CZ TYR A 127 -7.481 -6.101 -7.725 1.00 0.00 C ATOM 1871 OH TYR A 127 -7.799 -5.152 -8.650 1.00 0.00 O ATOM 0 H TYR A 127 -5.066 -10.168 -2.413 1.00 0.00 H new ATOM 0 HA TYR A 127 -5.823 -7.504 -3.430 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -5.652 -9.704 -5.114 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -7.321 -9.752 -4.581 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -8.770 -7.599 -4.930 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -4.965 -8.239 -6.831 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -9.350 -5.907 -6.649 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -5.557 -6.590 -8.588 1.00 0.00 H new ATOM 0 HH TYR A 127 -7.063 -5.060 -9.290 1.00 0.00 H new ATOM 1881 N TYR A 128 -8.132 -7.863 -2.290 1.00 0.00 N ATOM 1882 CA TYR A 128 -9.362 -7.954 -1.514 1.00 0.00 C ATOM 1883 C TYR A 128 -10.494 -7.408 -2.378 1.00 0.00 C ATOM 1884 O TYR A 128 -10.615 -6.190 -2.559 1.00 0.00 O ATOM 1885 CB TYR A 128 -9.260 -7.154 -0.211 1.00 0.00 C ATOM 1886 CG TYR A 128 -8.183 -7.628 0.739 1.00 0.00 C ATOM 1887 CD1 TYR A 128 -8.402 -8.682 1.639 1.00 0.00 C ATOM 1888 CD2 TYR A 128 -6.920 -7.031 0.672 1.00 0.00 C ATOM 1889 CE1 TYR A 128 -7.355 -9.120 2.466 1.00 0.00 C ATOM 1890 CE2 TYR A 128 -5.868 -7.440 1.510 1.00 0.00 C ATOM 1891 CZ TYR A 128 -6.083 -8.499 2.414 1.00 0.00 C ATOM 1892 OH TYR A 128 -5.057 -8.937 3.193 1.00 0.00 O ATOM 0 H TYR A 128 -8.088 -7.014 -2.854 1.00 0.00 H new ATOM 0 HA TYR A 128 -9.548 -8.993 -1.240 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -9.075 -6.108 -0.456 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -10.221 -7.196 0.301 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -9.372 -9.154 1.695 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -6.749 -6.237 -0.040 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -7.522 -9.940 3.149 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -4.907 -6.949 1.461 1.00 0.00 H new ATOM 0 HH TYR A 128 -4.261 -8.392 3.022 1.00 0.00 H new ATOM 1902 N ASN A 129 -11.307 -8.299 -2.941 1.00 0.00 N ATOM 1903 CA ASN A 129 -12.564 -7.964 -3.597 1.00 0.00 C ATOM 1904 C ASN A 129 -13.565 -9.036 -3.233 1.00 0.00 C ATOM 1905 O ASN A 129 -13.302 -10.228 -3.491 1.00 0.00 O ATOM 1906 CB ASN A 129 -12.420 -7.778 -5.111 1.00 0.00 C ATOM 1907 CG ASN A 129 -12.034 -9.032 -5.873 1.00 0.00 C ATOM 1908 OD1 ASN A 129 -12.869 -9.689 -6.493 1.00 0.00 O ATOM 1909 ND2 ASN A 129 -10.762 -9.387 -5.857 1.00 0.00 N ATOM 0 H ASN A 129 -11.103 -9.298 -2.953 1.00 0.00 H new ATOM 0 HA ASN A 129 -12.913 -6.993 -3.245 1.00 0.00 H new ATOM 0 HB2 ASN A 129 -13.364 -7.405 -5.508 1.00 0.00 H new ATOM 0 HB3 ASN A 129 -11.669 -7.010 -5.299 1.00 0.00 H new ATOM 0 HD21 ASN A 129 -10.458 -10.218 -6.364 1.00 0.00 H new ATOM 0 HD22 ASN A 129 -10.084 -8.830 -5.337 1.00 0.00 H new