USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=24 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 Single : A 12 MET CE :methyl -130:sc= -0.0465 (180deg=-0.179) USER MOD Single : A 13 TYR OH : rot -58:sc= 0.944 USER MOD Single : A 16 THR OG1 : rot 171:sc= -0.0136 USER MOD Single : A 19 GLN : amide:sc= 1.23 K(o=1.2,f=-4.2!) 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= 0.114 USER MOD Single : A 35 ASN : amide:sc= 0.0702 X(o=0.07,f=0) USER MOD Single : A 37 THR OG1 : rot 170:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 32:sc= 0.00516 USER MOD Single : A 50 SER OG : rot -146:sc= 1.19 USER MOD Single : A 55 SER OG : rot -88:sc= 1.21 USER MOD Single : A 63 LYS NZ :NH3+ -170:sc= 0.941 (180deg=0.863) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 67 SER OG : rot 63:sc= 0.199 USER MOD Single : A 68 THR OG1 : rot 76:sc= 1.02 USER MOD Single : A 69 THR OG1 : rot -62:sc= 0.00324 USER MOD Single : A 71 LYS NZ :NH3+ 142:sc= 1.29 (180deg=-0.192) USER MOD Single : A 78 SER OG : rot 180:sc= 0.121 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) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 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= 0.721 K(o=0.72,f=-3.1!) 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+ 143:sc= -0.118 (180deg=-0.596) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc=-0.00292 K(o=-0.0029,f=-1.8) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 TYR OH : rot 30:sc= 0 USER MOD Single : A 129 ASN : amide:sc= 0.244 K(o=0.24,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 109 N GLY A 10 -19.577 -1.674 -1.629 1.00 0.00 N ATOM 110 CA GLY A 10 -18.181 -1.393 -1.359 1.00 0.00 C ATOM 111 C GLY A 10 -17.898 -1.582 0.134 1.00 0.00 C ATOM 112 O GLY A 10 -18.825 -1.549 0.952 1.00 0.00 O ATOM 0 HA2 GLY A 10 -17.546 -2.056 -1.947 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -17.940 -0.373 -1.659 1.00 0.00 H new ATOM 116 N ALA A 11 -16.631 -1.710 0.524 1.00 0.00 N ATOM 117 CA ALA A 11 -16.204 -2.007 1.890 1.00 0.00 C ATOM 118 C ALA A 11 -15.293 -0.906 2.421 1.00 0.00 C ATOM 119 O ALA A 11 -14.875 -0.029 1.666 1.00 0.00 O ATOM 120 CB ALA A 11 -15.507 -3.358 1.925 1.00 0.00 C ATOM 0 H ALA A 11 -15.849 -1.607 -0.122 1.00 0.00 H new ATOM 0 HA ALA A 11 -17.081 -2.049 2.536 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.190 -3.577 2.944 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -16.196 -4.132 1.585 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -14.636 -3.335 1.271 1.00 0.00 H new ATOM 126 N MET A 12 -15.028 -0.903 3.726 1.00 0.00 N ATOM 127 CA MET A 12 -13.916 -0.136 4.276 1.00 0.00 C ATOM 128 C MET A 12 -12.685 -1.028 4.371 1.00 0.00 C ATOM 129 O MET A 12 -12.797 -2.245 4.553 1.00 0.00 O ATOM 130 CB MET A 12 -14.251 0.447 5.656 1.00 0.00 C ATOM 131 CG MET A 12 -14.940 1.808 5.562 1.00 0.00 C ATOM 132 SD MET A 12 -13.992 3.181 6.294 1.00 0.00 S ATOM 133 CE MET A 12 -15.324 4.270 6.866 1.00 0.00 C ATOM 0 H MET A 12 -15.567 -1.422 4.419 1.00 0.00 H new ATOM 0 HA MET A 12 -13.719 0.702 3.607 1.00 0.00 H new ATOM 0 HB2 MET A 12 -14.896 -0.247 6.194 1.00 0.00 H new ATOM 0 HB3 MET A 12 -13.335 0.546 6.238 1.00 0.00 H new ATOM 0 HG2 MET A 12 -15.132 2.033 4.513 1.00 0.00 H new ATOM 0 HG3 MET A 12 -15.909 1.746 6.057 1.00 0.00 H new ATOM 0 HE1 MET A 12 -15.140 5.285 6.514 1.00 0.00 H new ATOM 0 HE2 MET A 12 -16.277 3.916 6.473 1.00 0.00 H new ATOM 0 HE3 MET A 12 -15.356 4.264 7.956 1.00 0.00 H new ATOM 143 N TYR A 13 -11.520 -0.386 4.357 1.00 0.00 N ATOM 144 CA TYR A 13 -10.231 -0.974 4.699 1.00 0.00 C ATOM 145 C TYR A 13 -9.467 0.051 5.551 1.00 0.00 C ATOM 146 O TYR A 13 -10.066 1.033 5.995 1.00 0.00 O ATOM 147 CB TYR A 13 -9.505 -1.387 3.404 1.00 0.00 C ATOM 148 CG TYR A 13 -8.958 -0.209 2.638 1.00 0.00 C ATOM 149 CD1 TYR A 13 -9.828 0.579 1.872 1.00 0.00 C ATOM 150 CD2 TYR A 13 -7.602 0.151 2.770 1.00 0.00 C ATOM 151 CE1 TYR A 13 -9.356 1.769 1.314 1.00 0.00 C ATOM 152 CE2 TYR A 13 -7.125 1.346 2.207 1.00 0.00 C ATOM 153 CZ TYR A 13 -8.021 2.175 1.501 1.00 0.00 C ATOM 154 OH TYR A 13 -7.629 3.372 1.007 1.00 0.00 O ATOM 0 H TYR A 13 -11.447 0.597 4.096 1.00 0.00 H new ATOM 0 HA TYR A 13 -10.326 -1.885 5.290 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -8.688 -2.064 3.652 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -10.195 -1.940 2.767 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -10.851 0.270 1.715 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.925 -0.496 3.308 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -10.024 2.386 0.731 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.087 1.626 2.313 1.00 0.00 H new ATOM 0 HH TYR A 13 -7.781 3.392 0.039 1.00 0.00 H new ATOM 164 N GLU A 14 -8.182 -0.171 5.816 1.00 0.00 N ATOM 165 CA GLU A 14 -7.192 0.822 6.229 1.00 0.00 C ATOM 166 C GLU A 14 -5.822 0.299 5.755 1.00 0.00 C ATOM 167 O GLU A 14 -5.680 -0.907 5.510 1.00 0.00 O ATOM 168 CB GLU A 14 -7.301 1.010 7.744 1.00 0.00 C ATOM 169 CG GLU A 14 -6.279 1.957 8.375 1.00 0.00 C ATOM 170 CD GLU A 14 -6.837 2.434 9.710 1.00 0.00 C ATOM 171 OE1 GLU A 14 -7.061 1.559 10.591 1.00 0.00 O ATOM 172 OE2 GLU A 14 -7.192 3.633 9.824 1.00 0.00 O ATOM 0 H GLU A 14 -7.779 -1.105 5.744 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.346 1.807 5.789 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.300 1.380 7.974 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.205 0.034 8.220 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.327 1.447 8.521 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.089 2.805 7.717 1.00 0.00 H new ATOM 179 N VAL A 15 -4.824 1.169 5.585 1.00 0.00 N ATOM 180 CA VAL A 15 -3.471 0.804 5.156 1.00 0.00 C ATOM 181 C VAL A 15 -2.493 1.640 5.976 1.00 0.00 C ATOM 182 O VAL A 15 -2.754 2.815 6.242 1.00 0.00 O ATOM 183 CB VAL A 15 -3.317 1.000 3.630 1.00 0.00 C ATOM 184 CG1 VAL A 15 -3.454 2.457 3.190 1.00 0.00 C ATOM 185 CG2 VAL A 15 -1.995 0.476 3.057 1.00 0.00 C ATOM 0 H VAL A 15 -4.936 2.170 5.745 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.263 -0.251 5.335 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.140 0.407 3.232 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.335 2.523 2.108 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.439 2.831 3.471 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.686 3.058 3.677 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.969 0.653 1.982 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.162 0.995 3.531 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.913 -0.594 3.251 1.00 0.00 H new ATOM 195 N THR A 16 -1.367 1.040 6.341 1.00 0.00 N ATOM 196 CA THR A 16 -0.449 1.544 7.338 1.00 0.00 C ATOM 197 C THR A 16 0.950 1.196 6.839 1.00 0.00 C ATOM 198 O THR A 16 1.445 0.077 7.017 1.00 0.00 O ATOM 199 CB THR A 16 -0.788 0.914 8.696 1.00 0.00 C ATOM 200 OG1 THR A 16 -2.188 0.910 8.934 1.00 0.00 O ATOM 201 CG2 THR A 16 -0.115 1.687 9.819 1.00 0.00 C ATOM 0 H THR A 16 -1.063 0.157 5.932 1.00 0.00 H new ATOM 0 HA THR A 16 -0.516 2.622 7.482 1.00 0.00 H new ATOM 0 HB THR A 16 -0.426 -0.114 8.672 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.383 0.376 9.733 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.364 1.229 10.776 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.966 1.667 9.678 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.463 2.720 9.809 1.00 0.00 H new ATOM 209 N ILE A 17 1.529 2.132 6.096 1.00 0.00 N ATOM 210 CA ILE A 17 2.796 1.950 5.411 1.00 0.00 C ATOM 211 C ILE A 17 3.897 2.432 6.352 1.00 0.00 C ATOM 212 O ILE A 17 3.733 3.433 7.054 1.00 0.00 O ATOM 213 CB ILE A 17 2.760 2.666 4.039 1.00 0.00 C ATOM 214 CG1 ILE A 17 3.945 2.256 3.143 1.00 0.00 C ATOM 215 CG2 ILE A 17 2.700 4.196 4.161 1.00 0.00 C ATOM 216 CD1 ILE A 17 3.730 0.895 2.472 1.00 0.00 C ATOM 0 H ILE A 17 1.120 3.055 5.952 1.00 0.00 H new ATOM 0 HA ILE A 17 2.998 0.905 5.177 1.00 0.00 H new ATOM 0 HB ILE A 17 1.834 2.337 3.567 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.096 3.016 2.376 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.855 2.222 3.742 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.677 4.640 3.166 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.801 4.482 4.707 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.579 4.553 4.697 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.594 0.654 1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.607 0.128 3.236 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.836 0.934 1.849 1.00 0.00 H new ATOM 228 N GLU A 18 5.026 1.725 6.354 1.00 0.00 N ATOM 229 CA GLU A 18 6.182 2.052 7.169 1.00 0.00 C ATOM 230 C GLU A 18 7.414 1.884 6.278 1.00 0.00 C ATOM 231 O GLU A 18 7.889 0.760 6.087 1.00 0.00 O ATOM 232 CB GLU A 18 6.245 1.156 8.427 1.00 0.00 C ATOM 233 CG GLU A 18 4.943 1.123 9.248 1.00 0.00 C ATOM 234 CD GLU A 18 5.158 0.712 10.708 1.00 0.00 C ATOM 235 OE1 GLU A 18 5.855 1.420 11.469 1.00 0.00 O ATOM 236 OE2 GLU A 18 4.658 -0.356 11.131 1.00 0.00 O ATOM 0 H GLU A 18 5.160 0.895 5.777 1.00 0.00 H new ATOM 0 HA GLU A 18 6.126 3.076 7.538 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.494 0.140 8.122 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.055 1.505 9.067 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.479 2.109 9.220 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.245 0.428 8.781 1.00 0.00 H new ATOM 243 N GLN A 19 7.876 2.951 5.634 1.00 0.00 N ATOM 244 CA GLN A 19 9.133 2.990 4.893 1.00 0.00 C ATOM 245 C GLN A 19 10.218 3.490 5.849 1.00 0.00 C ATOM 246 O GLN A 19 9.983 4.434 6.606 1.00 0.00 O ATOM 247 CB GLN A 19 9.040 3.904 3.660 1.00 0.00 C ATOM 248 CG GLN A 19 7.767 3.733 2.821 1.00 0.00 C ATOM 249 CD GLN A 19 7.922 4.365 1.439 1.00 0.00 C ATOM 250 OE1 GLN A 19 8.829 4.020 0.686 1.00 0.00 O ATOM 251 NE2 GLN A 19 7.017 5.239 1.051 1.00 0.00 N ATOM 0 H GLN A 19 7.372 3.838 5.612 1.00 0.00 H new ATOM 0 HA GLN A 19 9.370 1.992 4.524 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.103 4.941 3.990 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.905 3.719 3.023 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.539 2.672 2.714 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.924 4.190 3.339 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.270 5.516 1.687 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.063 5.639 0.114 1.00 0.00 H new ATOM 260 N SER A 20 11.402 2.880 5.844 1.00 0.00 N ATOM 261 CA SER A 20 12.482 3.229 6.757 1.00 0.00 C ATOM 262 C SER A 20 13.833 2.876 6.120 1.00 0.00 C ATOM 263 O SER A 20 13.878 2.266 5.046 1.00 0.00 O ATOM 264 CB SER A 20 12.226 2.544 8.116 1.00 0.00 C ATOM 265 OG SER A 20 12.226 1.125 8.038 1.00 0.00 O ATOM 0 H SER A 20 11.638 2.125 5.200 1.00 0.00 H new ATOM 0 HA SER A 20 12.514 4.302 6.946 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.990 2.862 8.825 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.266 2.880 8.509 1.00 0.00 H new ATOM 0 HG SER A 20 12.061 0.748 8.928 1.00 0.00 H new ATOM 271 N GLY A 21 14.939 3.267 6.759 1.00 0.00 N ATOM 272 CA GLY A 21 16.289 2.929 6.329 1.00 0.00 C ATOM 273 C GLY A 21 16.763 3.864 5.234 1.00 0.00 C ATOM 274 O GLY A 21 17.180 4.994 5.502 1.00 0.00 O ATOM 0 H GLY A 21 14.916 3.837 7.604 1.00 0.00 H new ATOM 0 HA2 GLY A 21 16.969 2.985 7.179 1.00 0.00 H new ATOM 0 HA3 GLY A 21 16.312 1.901 5.969 1.00 0.00 H new ATOM 278 N ASP A 22 16.669 3.403 3.994 1.00 0.00 N ATOM 279 CA ASP A 22 16.787 4.213 2.796 1.00 0.00 C ATOM 280 C ASP A 22 15.829 3.575 1.809 1.00 0.00 C ATOM 281 O ASP A 22 15.956 2.385 1.513 1.00 0.00 O ATOM 282 CB ASP A 22 18.212 4.267 2.237 1.00 0.00 C ATOM 283 CG ASP A 22 18.488 5.657 1.657 1.00 0.00 C ATOM 284 OD1 ASP A 22 18.054 5.961 0.522 1.00 0.00 O ATOM 285 OD2 ASP A 22 19.127 6.465 2.369 1.00 0.00 O ATOM 0 H ASP A 22 16.502 2.417 3.791 1.00 0.00 H new ATOM 0 HA ASP A 22 16.547 5.255 3.006 1.00 0.00 H new ATOM 0 HB2 ASP A 22 18.931 4.042 3.025 1.00 0.00 H new ATOM 0 HB3 ASP A 22 18.339 3.509 1.464 1.00 0.00 H new ATOM 290 N PHE A 23 14.818 4.327 1.399 1.00 0.00 N ATOM 291 CA PHE A 23 13.671 3.859 0.636 1.00 0.00 C ATOM 292 C PHE A 23 13.327 4.747 -0.563 1.00 0.00 C ATOM 293 O PHE A 23 12.597 4.295 -1.441 1.00 0.00 O ATOM 294 CB PHE A 23 12.462 3.782 1.580 1.00 0.00 C ATOM 295 CG PHE A 23 12.166 5.103 2.276 1.00 0.00 C ATOM 296 CD1 PHE A 23 11.388 6.090 1.638 1.00 0.00 C ATOM 297 CD2 PHE A 23 12.738 5.369 3.536 1.00 0.00 C ATOM 298 CE1 PHE A 23 11.208 7.341 2.247 1.00 0.00 C ATOM 299 CE2 PHE A 23 12.578 6.631 4.130 1.00 0.00 C ATOM 300 CZ PHE A 23 11.846 7.623 3.463 1.00 0.00 C ATOM 0 H PHE A 23 14.773 5.326 1.599 1.00 0.00 H new ATOM 0 HA PHE A 23 13.928 2.882 0.227 1.00 0.00 H new ATOM 0 HB2 PHE A 23 11.584 3.472 1.013 1.00 0.00 H new ATOM 0 HB3 PHE A 23 12.643 3.014 2.332 1.00 0.00 H new ATOM 0 HD1 PHE A 23 10.931 5.884 0.681 1.00 0.00 H new ATOM 0 HD2 PHE A 23 13.300 4.601 4.046 1.00 0.00 H new ATOM 0 HE1 PHE A 23 10.579 8.085 1.780 1.00 0.00 H new ATOM 0 HE2 PHE A 23 13.016 6.836 5.095 1.00 0.00 H new ATOM 0 HZ PHE A 23 11.773 8.613 3.889 1.00 0.00 H new ATOM 310 N ARG A 24 13.777 6.004 -0.666 1.00 0.00 N ATOM 311 CA ARG A 24 13.278 6.861 -1.751 1.00 0.00 C ATOM 312 C ARG A 24 13.803 6.453 -3.131 1.00 0.00 C ATOM 313 O ARG A 24 13.191 6.809 -4.140 1.00 0.00 O ATOM 314 CB ARG A 24 13.537 8.341 -1.476 1.00 0.00 C ATOM 315 CG ARG A 24 12.826 8.842 -0.214 1.00 0.00 C ATOM 316 CD ARG A 24 12.885 10.367 -0.116 1.00 0.00 C ATOM 317 NE ARG A 24 14.243 10.848 0.175 1.00 0.00 N ATOM 318 CZ ARG A 24 14.575 12.089 0.534 1.00 0.00 C ATOM 319 NH1 ARG A 24 13.678 13.071 0.489 1.00 0.00 N ATOM 320 NH2 ARG A 24 15.818 12.321 0.940 1.00 0.00 N ATOM 0 H ARG A 24 14.457 6.437 -0.041 1.00 0.00 H new ATOM 0 HA ARG A 24 12.199 6.710 -1.773 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.610 8.505 -1.373 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.206 8.929 -2.332 1.00 0.00 H new ATOM 0 HG2 ARG A 24 11.786 8.515 -0.225 1.00 0.00 H new ATOM 0 HG3 ARG A 24 13.290 8.400 0.668 1.00 0.00 H new ATOM 0 HD2 ARG A 24 12.539 10.804 -1.052 1.00 0.00 H new ATOM 0 HD3 ARG A 24 12.205 10.707 0.665 1.00 0.00 H new ATOM 0 HE ARG A 24 15.001 10.171 0.095 1.00 0.00 H new ATOM 0 HH11 ARG A 24 12.726 12.878 0.178 1.00 0.00 H new ATOM 0 HH12 ARG A 24 13.943 14.016 0.766 1.00 0.00 H new ATOM 0 HH21 ARG A 24 16.495 11.558 0.972 1.00 0.00 H new ATOM 0 HH22 ARG A 24 16.096 13.262 1.220 1.00 0.00 H new ATOM 334 N SER A 25 14.862 5.649 -3.195 1.00 0.00 N ATOM 335 CA SER A 25 15.352 5.037 -4.420 1.00 0.00 C ATOM 336 C SER A 25 14.404 3.940 -4.947 1.00 0.00 C ATOM 337 O SER A 25 14.721 3.319 -5.958 1.00 0.00 O ATOM 338 CB SER A 25 16.756 4.472 -4.170 1.00 0.00 C ATOM 339 OG SER A 25 17.677 5.468 -3.752 1.00 0.00 O ATOM 0 H SER A 25 15.414 5.401 -2.374 1.00 0.00 H new ATOM 0 HA SER A 25 15.394 5.804 -5.193 1.00 0.00 H new ATOM 0 HB2 SER A 25 16.700 3.692 -3.411 1.00 0.00 H new ATOM 0 HB3 SER A 25 17.123 4.003 -5.083 1.00 0.00 H new ATOM 0 HG SER A 25 18.556 5.060 -3.604 1.00 0.00 H new ATOM 345 N PHE A 26 13.268 3.644 -4.304 1.00 0.00 N ATOM 346 CA PHE A 26 12.222 2.756 -4.813 1.00 0.00 C ATOM 347 C PHE A 26 11.509 3.432 -5.984 1.00 0.00 C ATOM 348 O PHE A 26 10.940 4.512 -5.827 1.00 0.00 O ATOM 349 CB PHE A 26 11.195 2.461 -3.714 1.00 0.00 C ATOM 350 CG PHE A 26 11.518 1.362 -2.715 1.00 0.00 C ATOM 351 CD1 PHE A 26 12.746 1.339 -2.030 1.00 0.00 C ATOM 352 CD2 PHE A 26 10.535 0.412 -2.381 1.00 0.00 C ATOM 353 CE1 PHE A 26 12.977 0.417 -0.997 1.00 0.00 C ATOM 354 CE2 PHE A 26 10.777 -0.539 -1.377 1.00 0.00 C ATOM 355 CZ PHE A 26 11.989 -0.526 -0.665 1.00 0.00 C ATOM 0 H PHE A 26 13.047 4.030 -3.386 1.00 0.00 H new ATOM 0 HA PHE A 26 12.681 1.823 -5.138 1.00 0.00 H new ATOM 0 HB2 PHE A 26 11.029 3.382 -3.156 1.00 0.00 H new ATOM 0 HB3 PHE A 26 10.252 2.207 -4.197 1.00 0.00 H new ATOM 0 HD1 PHE A 26 13.521 2.040 -2.302 1.00 0.00 H new ATOM 0 HD2 PHE A 26 9.588 0.415 -2.900 1.00 0.00 H new ATOM 0 HE1 PHE A 26 13.913 0.432 -0.458 1.00 0.00 H new ATOM 0 HE2 PHE A 26 10.029 -1.284 -1.151 1.00 0.00 H new ATOM 0 HZ PHE A 26 12.160 -1.235 0.131 1.00 0.00 H new ATOM 365 N ILE A 27 11.491 2.786 -7.146 1.00 0.00 N ATOM 366 CA ILE A 27 10.970 3.341 -8.391 1.00 0.00 C ATOM 367 C ILE A 27 9.654 2.640 -8.729 1.00 0.00 C ATOM 368 O ILE A 27 9.667 1.540 -9.289 1.00 0.00 O ATOM 369 CB ILE A 27 12.067 3.187 -9.470 1.00 0.00 C ATOM 370 CG1 ILE A 27 13.372 3.900 -9.068 1.00 0.00 C ATOM 371 CG2 ILE A 27 11.655 3.684 -10.861 1.00 0.00 C ATOM 372 CD1 ILE A 27 13.241 5.381 -8.690 1.00 0.00 C ATOM 0 H ILE A 27 11.848 1.836 -7.250 1.00 0.00 H new ATOM 0 HA ILE A 27 10.737 4.403 -8.317 1.00 0.00 H new ATOM 0 HB ILE A 27 12.226 2.110 -9.533 1.00 0.00 H new ATOM 0 HG12 ILE A 27 13.808 3.367 -8.223 1.00 0.00 H new ATOM 0 HG13 ILE A 27 14.077 3.818 -9.895 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.481 3.540 -11.558 1.00 0.00 H new ATOM 0 HG22 ILE A 27 10.787 3.122 -11.206 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.404 4.744 -10.809 1.00 0.00 H new ATOM 0 HD11 ILE A 27 14.221 5.777 -8.426 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.841 5.939 -9.537 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.568 5.481 -7.839 1.00 0.00 H new ATOM 384 N LYS A 28 8.512 3.230 -8.342 1.00 0.00 N ATOM 385 CA LYS A 28 7.191 2.797 -8.807 1.00 0.00 C ATOM 386 C LYS A 28 6.134 3.874 -8.579 1.00 0.00 C ATOM 387 O LYS A 28 6.393 4.863 -7.905 1.00 0.00 O ATOM 388 CB LYS A 28 6.764 1.493 -8.096 1.00 0.00 C ATOM 389 CG LYS A 28 6.097 0.482 -9.039 1.00 0.00 C ATOM 390 CD LYS A 28 7.082 -0.093 -10.065 1.00 0.00 C ATOM 391 CE LYS A 28 6.462 -1.285 -10.790 1.00 0.00 C ATOM 392 NZ LYS A 28 7.427 -1.908 -11.714 1.00 0.00 N ATOM 0 H LYS A 28 8.482 4.020 -7.698 1.00 0.00 H new ATOM 0 HA LYS A 28 7.269 2.615 -9.879 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.640 1.032 -7.640 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.074 1.736 -7.288 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.670 -0.332 -8.453 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.272 0.965 -9.562 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.356 0.677 -10.786 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.000 -0.401 -9.564 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.125 -2.022 -10.061 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.582 -0.959 -11.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.978 -2.715 -12.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.729 -1.210 -12.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.255 -2.240 -11.179 1.00 0.00 H new ATOM 406 N SER A 29 4.935 3.635 -9.098 1.00 0.00 N ATOM 407 CA SER A 29 3.680 4.307 -8.776 1.00 0.00 C ATOM 408 C SER A 29 2.965 3.534 -7.661 1.00 0.00 C ATOM 409 O SER A 29 3.234 2.342 -7.456 1.00 0.00 O ATOM 410 CB SER A 29 2.797 4.352 -10.048 1.00 0.00 C ATOM 411 OG SER A 29 3.172 3.349 -10.999 1.00 0.00 O ATOM 0 H SER A 29 4.804 2.913 -9.807 1.00 0.00 H new ATOM 0 HA SER A 29 3.872 5.324 -8.434 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.752 4.214 -9.769 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.876 5.336 -10.509 1.00 0.00 H new ATOM 0 HG SER A 29 2.590 3.410 -11.785 1.00 0.00 H new ATOM 417 N VAL A 30 1.968 4.149 -7.027 1.00 0.00 N ATOM 418 CA VAL A 30 1.029 3.517 -6.109 1.00 0.00 C ATOM 419 C VAL A 30 -0.377 3.991 -6.491 1.00 0.00 C ATOM 420 O VAL A 30 -0.731 5.158 -6.331 1.00 0.00 O ATOM 421 CB VAL A 30 1.390 3.840 -4.644 1.00 0.00 C ATOM 422 CG1 VAL A 30 0.445 3.118 -3.670 1.00 0.00 C ATOM 423 CG2 VAL A 30 2.825 3.424 -4.296 1.00 0.00 C ATOM 0 H VAL A 30 1.787 5.146 -7.146 1.00 0.00 H new ATOM 0 HA VAL A 30 1.074 2.431 -6.189 1.00 0.00 H new ATOM 0 HB VAL A 30 1.291 4.921 -4.543 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.722 3.363 -2.645 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.581 3.437 -3.855 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.523 2.041 -3.819 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.033 3.671 -3.255 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.938 2.350 -4.444 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.524 3.955 -4.942 1.00 0.00 H new ATOM 433 N VAL A 31 -1.189 3.085 -7.026 1.00 0.00 N ATOM 434 CA VAL A 31 -2.623 3.277 -7.165 1.00 0.00 C ATOM 435 C VAL A 31 -3.212 3.046 -5.779 1.00 0.00 C ATOM 436 O VAL A 31 -3.091 1.942 -5.243 1.00 0.00 O ATOM 437 CB VAL A 31 -3.156 2.290 -8.220 1.00 0.00 C ATOM 438 CG1 VAL A 31 -4.682 2.294 -8.328 1.00 0.00 C ATOM 439 CG2 VAL A 31 -2.549 2.629 -9.592 1.00 0.00 C ATOM 0 H VAL A 31 -0.862 2.186 -7.379 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.897 4.274 -7.510 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.859 1.291 -7.899 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.995 1.578 -9.088 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.115 2.016 -7.367 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.024 3.291 -8.606 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.926 1.931 -10.339 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.827 3.645 -9.872 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.463 2.552 -9.538 1.00 0.00 H new ATOM 449 N VAL A 32 -3.789 4.083 -5.174 1.00 0.00 N ATOM 450 CA VAL A 32 -4.504 3.968 -3.914 1.00 0.00 C ATOM 451 C VAL A 32 -5.642 4.986 -3.893 1.00 0.00 C ATOM 452 O VAL A 32 -5.464 6.123 -3.454 1.00 0.00 O ATOM 453 CB VAL A 32 -3.527 4.071 -2.718 1.00 0.00 C ATOM 454 CG1 VAL A 32 -2.580 5.286 -2.723 1.00 0.00 C ATOM 455 CG2 VAL A 32 -4.277 4.009 -1.376 1.00 0.00 C ATOM 0 H VAL A 32 -3.771 5.031 -5.551 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.962 2.984 -3.816 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.883 3.200 -2.841 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.943 5.254 -1.839 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.960 5.260 -3.619 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.167 6.205 -2.714 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.563 4.084 -0.556 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.985 4.835 -1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.815 3.064 -1.303 1.00 0.00 H new ATOM 465 N VAL A 33 -6.828 4.597 -4.363 1.00 0.00 N ATOM 466 CA VAL A 33 -8.013 5.417 -4.129 1.00 0.00 C ATOM 467 C VAL A 33 -9.280 4.580 -4.176 1.00 0.00 C ATOM 468 O VAL A 33 -9.307 3.505 -4.779 1.00 0.00 O ATOM 469 CB VAL A 33 -8.050 6.603 -5.107 1.00 0.00 C ATOM 470 CG1 VAL A 33 -8.331 6.148 -6.547 1.00 0.00 C ATOM 471 CG2 VAL A 33 -9.036 7.676 -4.622 1.00 0.00 C ATOM 0 H VAL A 33 -6.991 3.742 -4.894 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.957 5.832 -3.123 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.060 7.059 -5.125 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.349 7.016 -7.206 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.548 5.462 -6.871 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -9.296 5.642 -6.587 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.047 8.506 -5.328 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.035 7.247 -4.551 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.727 8.038 -3.641 1.00 0.00 H new ATOM 481 N ALA A 34 -10.341 5.094 -3.551 1.00 0.00 N ATOM 482 CA ALA A 34 -11.629 4.444 -3.639 1.00 0.00 C ATOM 483 C ALA A 34 -12.218 4.871 -4.959 1.00 0.00 C ATOM 484 O ALA A 34 -12.429 6.062 -5.181 1.00 0.00 O ATOM 485 CB ALA A 34 -12.546 4.853 -2.490 1.00 0.00 C ATOM 0 H ALA A 34 -10.326 5.945 -2.989 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.520 3.362 -3.572 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.505 4.344 -2.591 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.086 4.576 -1.541 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.703 5.931 -2.516 1.00 0.00 H new ATOM 491 N ASN A 35 -12.528 3.898 -5.802 1.00 0.00 N ATOM 492 CA ASN A 35 -13.188 4.088 -7.083 1.00 0.00 C ATOM 493 C ASN A 35 -14.662 4.522 -6.937 1.00 0.00 C ATOM 494 O ASN A 35 -15.490 4.204 -7.788 1.00 0.00 O ATOM 495 CB ASN A 35 -12.984 2.786 -7.874 1.00 0.00 C ATOM 496 CG ASN A 35 -11.688 2.851 -8.680 1.00 0.00 C ATOM 497 OD1 ASN A 35 -11.687 3.208 -9.855 1.00 0.00 O ATOM 498 ND2 ASN A 35 -10.555 2.581 -8.050 1.00 0.00 N ATOM 0 H ASN A 35 -12.319 2.919 -5.605 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.748 4.920 -7.634 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -12.952 1.938 -7.190 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.829 2.623 -8.544 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.665 2.668 -8.541 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.572 2.286 -7.074 1.00 0.00 H new ATOM 505 N GLY A 36 -15.027 5.241 -5.870 1.00 0.00 N ATOM 506 CA GLY A 36 -16.354 5.809 -5.679 1.00 0.00 C ATOM 507 C GLY A 36 -16.577 6.696 -4.453 1.00 0.00 C ATOM 508 O GLY A 36 -17.686 7.222 -4.332 1.00 0.00 O ATOM 0 H GLY A 36 -14.389 5.445 -5.101 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -16.599 6.394 -6.565 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -17.068 4.986 -5.632 1.00 0.00 H new ATOM 512 N THR A 37 -15.612 6.871 -3.544 1.00 0.00 N ATOM 513 CA THR A 37 -15.787 7.643 -2.313 1.00 0.00 C ATOM 514 C THR A 37 -14.492 8.407 -2.022 1.00 0.00 C ATOM 515 O THR A 37 -13.511 8.273 -2.760 1.00 0.00 O ATOM 516 CB THR A 37 -16.278 6.736 -1.154 1.00 0.00 C ATOM 517 OG1 THR A 37 -16.948 7.504 -0.180 1.00 0.00 O ATOM 518 CG2 THR A 37 -15.199 5.930 -0.419 1.00 0.00 C ATOM 0 H THR A 37 -14.677 6.475 -3.645 1.00 0.00 H new ATOM 0 HA THR A 37 -16.575 8.388 -2.429 1.00 0.00 H new ATOM 0 HB THR A 37 -16.925 6.018 -1.657 1.00 0.00 H new ATOM 0 HG1 THR A 37 -17.390 6.908 0.460 1.00 0.00 H new ATOM 0 HG21 THR A 37 -15.662 5.335 0.368 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.695 5.269 -1.124 1.00 0.00 H new ATOM 0 HG23 THR A 37 -14.472 6.612 0.022 1.00 0.00 H new ATOM 526 N GLN A 38 -14.479 9.220 -0.968 1.00 0.00 N ATOM 527 CA GLN A 38 -13.322 10.008 -0.580 1.00 0.00 C ATOM 528 C GLN A 38 -12.407 9.210 0.346 1.00 0.00 C ATOM 529 O GLN A 38 -12.813 8.237 0.998 1.00 0.00 O ATOM 530 CB GLN A 38 -13.778 11.326 0.071 1.00 0.00 C ATOM 531 CG GLN A 38 -14.005 12.437 -0.969 1.00 0.00 C ATOM 532 CD GLN A 38 -15.448 12.619 -1.436 1.00 0.00 C ATOM 533 OE1 GLN A 38 -16.127 11.674 -1.828 1.00 0.00 O ATOM 534 NE2 GLN A 38 -15.932 13.852 -1.461 1.00 0.00 N ATOM 0 H GLN A 38 -15.284 9.348 -0.355 1.00 0.00 H new ATOM 0 HA GLN A 38 -12.745 10.252 -1.472 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -14.701 11.156 0.626 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -13.028 11.652 0.792 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -13.656 13.380 -0.549 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -13.384 12.227 -1.840 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -15.361 14.631 -1.133 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -16.876 14.022 -1.808 1.00 0.00 H new ATOM 543 N LEU A 39 -11.152 9.654 0.411 1.00 0.00 N ATOM 544 CA LEU A 39 -10.143 9.105 1.314 1.00 0.00 C ATOM 545 C LEU A 39 -9.729 10.119 2.368 1.00 0.00 C ATOM 546 O LEU A 39 -10.135 11.274 2.301 1.00 0.00 O ATOM 547 CB LEU A 39 -8.916 8.615 0.525 1.00 0.00 C ATOM 548 CG LEU A 39 -8.591 7.155 0.870 1.00 0.00 C ATOM 549 CD1 LEU A 39 -9.007 6.247 -0.266 1.00 0.00 C ATOM 550 CD2 LEU A 39 -7.151 6.934 1.298 1.00 0.00 C ATOM 0 H LEU A 39 -10.804 10.416 -0.171 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.589 8.253 1.828 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.106 8.707 -0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.057 9.246 0.752 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.177 6.894 1.751 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.772 5.214 -0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.079 6.344 -0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.470 6.528 -1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.997 5.879 1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.482 7.233 0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.939 7.531 2.185 1.00 0.00 H new ATOM 562 N LYS A 40 -8.907 9.689 3.326 1.00 0.00 N ATOM 563 CA LYS A 40 -8.482 10.471 4.473 1.00 0.00 C ATOM 564 C LYS A 40 -6.974 10.370 4.646 1.00 0.00 C ATOM 565 O LYS A 40 -6.429 9.268 4.771 1.00 0.00 O ATOM 566 CB LYS A 40 -9.215 9.969 5.717 1.00 0.00 C ATOM 567 CG LYS A 40 -8.825 10.776 6.957 1.00 0.00 C ATOM 568 CD LYS A 40 -9.488 10.240 8.221 1.00 0.00 C ATOM 569 CE LYS A 40 -8.872 8.884 8.590 1.00 0.00 C ATOM 570 NZ LYS A 40 -9.543 8.230 9.724 1.00 0.00 N ATOM 0 H LYS A 40 -8.508 8.750 3.318 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.729 11.521 4.318 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.291 10.038 5.560 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.983 8.916 5.878 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.742 10.753 7.078 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.108 11.819 6.814 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.355 10.946 9.041 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.561 10.132 8.063 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.914 8.225 7.723 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.819 9.025 8.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.081 7.320 9.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.481 8.841 10.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.543 8.066 9.488 1.00 0.00 H new ATOM 584 N ASP A 41 -6.326 11.529 4.685 1.00 0.00 N ATOM 585 CA ASP A 41 -4.886 11.666 4.904 1.00 0.00 C ATOM 586 C ASP A 41 -4.544 11.295 6.343 1.00 0.00 C ATOM 587 O ASP A 41 -5.352 11.498 7.251 1.00 0.00 O ATOM 588 CB ASP A 41 -4.379 13.091 4.641 1.00 0.00 C ATOM 589 CG ASP A 41 -2.855 13.066 4.500 1.00 0.00 C ATOM 590 OD1 ASP A 41 -2.136 13.156 5.520 1.00 0.00 O ATOM 591 OD2 ASP A 41 -2.374 12.858 3.365 1.00 0.00 O ATOM 0 H ASP A 41 -6.798 12.425 4.562 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.398 10.995 4.197 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.833 13.490 3.734 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.670 13.750 5.459 1.00 0.00 H new ATOM 596 N GLY A 42 -3.334 10.794 6.580 1.00 0.00 N ATOM 597 CA GLY A 42 -2.920 10.391 7.909 1.00 0.00 C ATOM 598 C GLY A 42 -2.467 11.538 8.825 1.00 0.00 C ATOM 599 O GLY A 42 -2.343 11.320 10.035 1.00 0.00 O ATOM 0 H GLY A 42 -2.624 10.659 5.860 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.748 9.869 8.388 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.103 9.675 7.817 1.00 0.00 H new ATOM 603 N ALA A 43 -2.185 12.730 8.284 1.00 0.00 N ATOM 604 CA ALA A 43 -1.674 13.866 9.040 1.00 0.00 C ATOM 605 C ALA A 43 -2.795 14.486 9.862 1.00 0.00 C ATOM 606 O ALA A 43 -2.802 14.374 11.088 1.00 0.00 O ATOM 607 CB ALA A 43 -1.016 14.899 8.116 1.00 0.00 C ATOM 0 H ALA A 43 -2.310 12.929 7.291 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.901 13.513 9.722 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.645 15.734 8.710 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.186 14.435 7.584 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.749 15.263 7.397 1.00 0.00 H new ATOM 613 N THR A 44 -3.761 15.123 9.208 1.00 0.00 N ATOM 614 CA THR A 44 -4.780 15.919 9.878 1.00 0.00 C ATOM 615 C THR A 44 -6.146 15.254 9.764 1.00 0.00 C ATOM 616 O THR A 44 -7.112 15.698 10.383 1.00 0.00 O ATOM 617 CB THR A 44 -4.736 17.350 9.330 1.00 0.00 C ATOM 618 OG1 THR A 44 -4.875 17.392 7.923 1.00 0.00 O ATOM 619 CG2 THR A 44 -3.391 17.993 9.685 1.00 0.00 C ATOM 0 H THR A 44 -3.858 15.101 8.193 1.00 0.00 H new ATOM 0 HA THR A 44 -4.578 15.978 10.948 1.00 0.00 H new ATOM 0 HB THR A 44 -5.570 17.888 9.781 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.843 18.323 7.619 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.360 19.010 9.295 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.273 18.016 10.768 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.582 17.411 9.244 1.00 0.00 H new ATOM 627 N GLY A 45 -6.241 14.151 9.016 1.00 0.00 N ATOM 628 CA GLY A 45 -7.516 13.537 8.742 1.00 0.00 C ATOM 629 C GLY A 45 -8.391 14.454 7.895 1.00 0.00 C ATOM 630 O GLY A 45 -9.616 14.411 8.017 1.00 0.00 O ATOM 0 H GLY A 45 -5.443 13.675 8.596 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -7.364 12.591 8.222 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.023 13.308 9.679 1.00 0.00 H new ATOM 634 N GLU A 46 -7.793 15.309 7.062 1.00 0.00 N ATOM 635 CA GLU A 46 -8.517 15.931 5.966 1.00 0.00 C ATOM 636 C GLU A 46 -9.006 14.836 5.028 1.00 0.00 C ATOM 637 O GLU A 46 -8.406 13.761 4.923 1.00 0.00 O ATOM 638 CB GLU A 46 -7.609 16.894 5.194 1.00 0.00 C ATOM 639 CG GLU A 46 -7.532 18.277 5.856 1.00 0.00 C ATOM 640 CD GLU A 46 -8.540 19.237 5.210 1.00 0.00 C ATOM 641 OE1 GLU A 46 -9.725 18.867 5.019 1.00 0.00 O ATOM 642 OE2 GLU A 46 -8.151 20.367 4.831 1.00 0.00 O ATOM 0 H GLU A 46 -6.812 15.582 7.130 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.358 16.498 6.366 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.607 16.470 5.126 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.980 17.001 4.175 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.737 18.188 6.923 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.523 18.679 5.758 1.00 0.00 H new ATOM 649 N SER A 47 -10.082 15.157 4.328 1.00 0.00 N ATOM 650 CA SER A 47 -10.728 14.297 3.357 1.00 0.00 C ATOM 651 C SER A 47 -10.299 14.747 1.969 1.00 0.00 C ATOM 652 O SER A 47 -10.384 15.941 1.659 1.00 0.00 O ATOM 653 CB SER A 47 -12.249 14.313 3.547 1.00 0.00 C ATOM 654 OG SER A 47 -12.797 15.622 3.611 1.00 0.00 O ATOM 0 H SER A 47 -10.546 16.060 4.427 1.00 0.00 H new ATOM 0 HA SER A 47 -10.423 13.259 3.494 1.00 0.00 H new ATOM 0 HB2 SER A 47 -12.716 13.772 2.724 1.00 0.00 H new ATOM 0 HB3 SER A 47 -12.499 13.778 4.463 1.00 0.00 H new ATOM 0 HG SER A 47 -12.263 16.228 3.055 1.00 0.00 H new ATOM 660 N LEU A 48 -9.829 13.814 1.141 1.00 0.00 N ATOM 661 CA LEU A 48 -9.352 14.093 -0.202 1.00 0.00 C ATOM 662 C LEU A 48 -10.351 13.550 -1.200 1.00 0.00 C ATOM 663 O LEU A 48 -10.844 12.422 -1.059 1.00 0.00 O ATOM 664 CB LEU A 48 -7.999 13.449 -0.520 1.00 0.00 C ATOM 665 CG LEU A 48 -6.832 13.706 0.435 1.00 0.00 C ATOM 666 CD1 LEU A 48 -6.681 15.162 0.886 1.00 0.00 C ATOM 667 CD2 LEU A 48 -6.861 12.751 1.633 1.00 0.00 C ATOM 0 H LEU A 48 -9.771 12.828 1.395 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.235 15.175 -0.266 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.149 12.371 -0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.697 13.783 -1.512 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.940 13.498 -0.155 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.829 15.248 1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.520 15.798 0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.586 15.478 1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.017 12.964 2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.792 12.887 2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.795 11.722 1.280 1.00 0.00 H new ATOM 679 N ALA A 49 -10.555 14.326 -2.256 1.00 0.00 N ATOM 680 CA ALA A 49 -11.365 13.959 -3.402 1.00 0.00 C ATOM 681 C ALA A 49 -10.678 12.858 -4.210 1.00 0.00 C ATOM 682 O ALA A 49 -9.490 12.560 -4.029 1.00 0.00 O ATOM 683 CB ALA A 49 -11.635 15.192 -4.256 1.00 0.00 C ATOM 0 H ALA A 49 -10.147 15.257 -2.338 1.00 0.00 H new ATOM 0 HA ALA A 49 -12.321 13.565 -3.058 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -12.244 14.913 -5.116 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -12.165 15.937 -3.662 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -10.689 15.610 -4.601 1.00 0.00 H new ATOM 689 N SER A 50 -11.435 12.232 -5.099 1.00 0.00 N ATOM 690 CA SER A 50 -11.077 10.985 -5.757 1.00 0.00 C ATOM 691 C SER A 50 -11.425 11.052 -7.252 1.00 0.00 C ATOM 692 O SER A 50 -12.201 11.923 -7.653 1.00 0.00 O ATOM 693 CB SER A 50 -11.801 9.833 -5.038 1.00 0.00 C ATOM 694 OG SER A 50 -13.095 10.203 -4.595 1.00 0.00 O ATOM 0 H SER A 50 -12.344 12.590 -5.391 1.00 0.00 H new ATOM 0 HA SER A 50 -10.003 10.812 -5.696 1.00 0.00 H new ATOM 0 HB2 SER A 50 -11.880 8.980 -5.712 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.206 9.510 -4.184 1.00 0.00 H new ATOM 0 HG SER A 50 -13.299 9.739 -3.756 1.00 0.00 H new ATOM 700 N PRO A 51 -10.883 10.147 -8.087 1.00 0.00 N ATOM 701 CA PRO A 51 -9.731 9.303 -7.793 1.00 0.00 C ATOM 702 C PRO A 51 -8.476 10.175 -7.644 1.00 0.00 C ATOM 703 O PRO A 51 -8.475 11.368 -7.959 1.00 0.00 O ATOM 704 CB PRO A 51 -9.620 8.359 -8.999 1.00 0.00 C ATOM 705 CG PRO A 51 -10.151 9.201 -10.153 1.00 0.00 C ATOM 706 CD PRO A 51 -11.261 10.003 -9.483 1.00 0.00 C ATOM 0 HA PRO A 51 -9.835 8.746 -6.862 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -8.590 8.045 -9.171 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.210 7.454 -8.857 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.380 9.846 -10.574 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -10.530 8.583 -10.967 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.375 10.978 -9.956 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.219 9.491 -9.574 1.00 0.00 H new ATOM 714 N VAL A 52 -7.395 9.591 -7.151 1.00 0.00 N ATOM 715 CA VAL A 52 -6.061 10.153 -7.128 1.00 0.00 C ATOM 716 C VAL A 52 -5.125 8.956 -7.234 1.00 0.00 C ATOM 717 O VAL A 52 -5.442 7.876 -6.738 1.00 0.00 O ATOM 718 CB VAL A 52 -5.866 11.025 -5.869 1.00 0.00 C ATOM 719 CG1 VAL A 52 -6.268 10.369 -4.540 1.00 0.00 C ATOM 720 CG2 VAL A 52 -4.426 11.544 -5.739 1.00 0.00 C ATOM 0 H VAL A 52 -7.431 8.661 -6.734 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.858 10.839 -7.950 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.558 11.850 -6.039 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.091 11.067 -3.722 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.325 10.105 -4.570 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.674 9.469 -4.384 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.338 12.152 -4.839 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.739 10.700 -5.675 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.177 12.149 -6.611 1.00 0.00 H new ATOM 730 N ILE A 53 -4.011 9.122 -7.928 1.00 0.00 N ATOM 731 CA ILE A 53 -3.001 8.105 -8.154 1.00 0.00 C ATOM 732 C ILE A 53 -1.675 8.771 -7.768 1.00 0.00 C ATOM 733 O ILE A 53 -1.596 10.002 -7.727 1.00 0.00 O ATOM 734 CB ILE A 53 -3.063 7.605 -9.608 1.00 0.00 C ATOM 735 CG1 ILE A 53 -4.494 7.240 -10.075 1.00 0.00 C ATOM 736 CG2 ILE A 53 -2.110 6.420 -9.831 1.00 0.00 C ATOM 737 CD1 ILE A 53 -5.244 6.068 -9.414 1.00 0.00 C ATOM 0 H ILE A 53 -3.777 10.011 -8.369 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.144 7.204 -7.557 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.738 8.445 -10.222 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.112 8.130 -9.954 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.443 7.031 -11.144 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.177 6.089 -10.868 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.088 6.729 -9.614 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.389 5.599 -9.170 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.228 5.963 -9.870 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.678 5.147 -9.556 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.357 6.264 -8.348 1.00 0.00 H new ATOM 749 N LEU A 54 -0.655 7.978 -7.449 1.00 0.00 N ATOM 750 CA LEU A 54 0.601 8.469 -6.888 1.00 0.00 C ATOM 751 C LEU A 54 1.750 7.882 -7.702 1.00 0.00 C ATOM 752 O LEU A 54 1.674 6.728 -8.138 1.00 0.00 O ATOM 753 CB LEU A 54 0.714 8.064 -5.403 1.00 0.00 C ATOM 754 CG LEU A 54 -0.469 8.475 -4.497 1.00 0.00 C ATOM 755 CD1 LEU A 54 -0.270 7.896 -3.095 1.00 0.00 C ATOM 756 CD2 LEU A 54 -0.637 9.993 -4.363 1.00 0.00 C ATOM 0 H LEU A 54 -0.678 6.966 -7.574 1.00 0.00 H new ATOM 0 HA LEU A 54 0.638 9.557 -6.937 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.828 6.981 -5.350 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.626 8.501 -4.996 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.366 8.080 -4.974 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.106 8.188 -2.459 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.221 6.809 -3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.659 8.279 -2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.485 10.209 -3.714 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.268 10.423 -3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.813 10.428 -5.347 1.00 0.00 H new ATOM 768 N SER A 55 2.819 8.652 -7.872 1.00 0.00 N ATOM 769 CA SER A 55 4.006 8.299 -8.634 1.00 0.00 C ATOM 770 C SER A 55 5.215 8.131 -7.712 1.00 0.00 C ATOM 771 O SER A 55 5.087 8.183 -6.484 1.00 0.00 O ATOM 772 CB SER A 55 4.196 9.350 -9.735 1.00 0.00 C ATOM 773 OG SER A 55 4.585 10.609 -9.217 1.00 0.00 O ATOM 0 H SER A 55 2.882 9.584 -7.461 1.00 0.00 H new ATOM 0 HA SER A 55 3.890 7.330 -9.119 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.950 9.001 -10.440 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.266 9.461 -10.292 1.00 0.00 H new ATOM 0 HG SER A 55 3.787 11.128 -8.986 1.00 0.00 H new ATOM 779 N ASP A 56 6.391 7.945 -8.313 1.00 0.00 N ATOM 780 CA ASP A 56 7.679 7.887 -7.636 1.00 0.00 C ATOM 781 C ASP A 56 7.889 9.132 -6.780 1.00 0.00 C ATOM 782 O ASP A 56 8.382 9.055 -5.654 1.00 0.00 O ATOM 783 CB ASP A 56 8.827 7.780 -8.659 1.00 0.00 C ATOM 784 CG ASP A 56 8.989 8.995 -9.584 1.00 0.00 C ATOM 785 OD1 ASP A 56 7.974 9.358 -10.229 1.00 0.00 O ATOM 786 OD2 ASP A 56 10.108 9.539 -9.717 1.00 0.00 O ATOM 0 H ASP A 56 6.471 7.827 -9.323 1.00 0.00 H new ATOM 0 HA ASP A 56 7.681 7.003 -6.998 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.761 7.627 -8.119 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.665 6.894 -9.273 1.00 0.00 H new ATOM 791 N GLU A 57 7.472 10.282 -7.302 1.00 0.00 N ATOM 792 CA GLU A 57 7.665 11.559 -6.643 1.00 0.00 C ATOM 793 C GLU A 57 6.746 11.723 -5.437 1.00 0.00 C ATOM 794 O GLU A 57 7.122 12.395 -4.478 1.00 0.00 O ATOM 795 CB GLU A 57 7.412 12.708 -7.620 1.00 0.00 C ATOM 796 CG GLU A 57 8.570 12.862 -8.611 1.00 0.00 C ATOM 797 CD GLU A 57 8.410 14.080 -9.519 1.00 0.00 C ATOM 798 OE1 GLU A 57 7.405 14.822 -9.424 1.00 0.00 O ATOM 799 OE2 GLU A 57 9.296 14.298 -10.376 1.00 0.00 O ATOM 0 H GLU A 57 6.989 10.349 -8.198 1.00 0.00 H new ATOM 0 HA GLU A 57 8.698 11.584 -6.296 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.486 12.527 -8.165 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.279 13.637 -7.065 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.506 12.946 -8.059 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.640 11.963 -9.224 1.00 0.00 H new ATOM 806 N GLU A 58 5.549 11.130 -5.464 1.00 0.00 N ATOM 807 CA GLU A 58 4.631 11.209 -4.334 1.00 0.00 C ATOM 808 C GLU A 58 5.056 10.243 -3.222 1.00 0.00 C ATOM 809 O GLU A 58 4.597 10.381 -2.089 1.00 0.00 O ATOM 810 CB GLU A 58 3.196 10.874 -4.774 1.00 0.00 C ATOM 811 CG GLU A 58 2.456 12.042 -5.440 1.00 0.00 C ATOM 812 CD GLU A 58 2.906 12.310 -6.873 1.00 0.00 C ATOM 813 OE1 GLU A 58 2.671 11.451 -7.754 1.00 0.00 O ATOM 814 OE2 GLU A 58 3.441 13.401 -7.142 1.00 0.00 O ATOM 0 H GLU A 58 5.197 10.592 -6.256 1.00 0.00 H new ATOM 0 HA GLU A 58 4.661 12.230 -3.954 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.227 10.034 -5.468 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.628 10.547 -3.903 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.386 11.833 -5.437 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.607 12.943 -4.846 1.00 0.00 H new ATOM 821 N LEU A 59 5.884 9.238 -3.518 1.00 0.00 N ATOM 822 CA LEU A 59 6.094 8.072 -2.666 1.00 0.00 C ATOM 823 C LEU A 59 6.913 8.354 -1.405 1.00 0.00 C ATOM 824 O LEU A 59 6.990 7.466 -0.563 1.00 0.00 O ATOM 825 CB LEU A 59 6.747 6.933 -3.475 1.00 0.00 C ATOM 826 CG LEU A 59 5.856 5.684 -3.600 1.00 0.00 C ATOM 827 CD1 LEU A 59 6.509 4.679 -4.551 1.00 0.00 C ATOM 828 CD2 LEU A 59 5.589 5.004 -2.251 1.00 0.00 C ATOM 0 H LEU A 59 6.437 9.215 -4.375 1.00 0.00 H new ATOM 0 HA LEU A 59 5.104 7.775 -2.321 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.989 7.299 -4.473 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.688 6.653 -3.001 1.00 0.00 H new ATOM 0 HG LEU A 59 4.895 6.018 -3.992 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.876 3.796 -4.638 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.632 5.135 -5.533 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.485 4.389 -4.160 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.956 4.130 -2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.535 4.694 -1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.087 5.704 -1.584 1.00 0.00 H new ATOM 840 N ALA A 60 7.489 9.545 -1.232 1.00 0.00 N ATOM 841 CA ALA A 60 8.494 9.844 -0.208 1.00 0.00 C ATOM 842 C ALA A 60 7.968 9.809 1.240 1.00 0.00 C ATOM 843 O ALA A 60 8.738 10.044 2.177 1.00 0.00 O ATOM 844 CB ALA A 60 9.112 11.210 -0.513 1.00 0.00 C ATOM 0 H ALA A 60 7.264 10.351 -1.816 1.00 0.00 H new ATOM 0 HA ALA A 60 9.238 9.049 -0.258 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.862 11.446 0.241 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.581 11.186 -1.497 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.333 11.972 -0.501 1.00 0.00 H new ATOM 850 N VAL A 61 6.674 9.550 1.439 1.00 0.00 N ATOM 851 CA VAL A 61 6.053 9.428 2.754 1.00 0.00 C ATOM 852 C VAL A 61 6.685 8.254 3.500 1.00 0.00 C ATOM 853 O VAL A 61 6.773 7.146 2.975 1.00 0.00 O ATOM 854 CB VAL A 61 4.521 9.274 2.650 1.00 0.00 C ATOM 855 CG1 VAL A 61 3.877 10.492 1.977 1.00 0.00 C ATOM 856 CG2 VAL A 61 4.071 8.016 1.894 1.00 0.00 C ATOM 0 H VAL A 61 6.016 9.417 0.671 1.00 0.00 H new ATOM 0 HA VAL A 61 6.232 10.345 3.315 1.00 0.00 H new ATOM 0 HB VAL A 61 4.187 9.185 3.684 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.798 10.349 1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.094 11.387 2.560 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.280 10.607 0.971 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.982 7.980 1.864 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.461 8.044 0.877 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.450 7.130 2.404 1.00 0.00 H new ATOM 866 N GLU A 62 7.098 8.473 4.739 1.00 0.00 N ATOM 867 CA GLU A 62 7.762 7.430 5.513 1.00 0.00 C ATOM 868 C GLU A 62 6.722 6.615 6.265 1.00 0.00 C ATOM 869 O GLU A 62 6.679 5.393 6.156 1.00 0.00 O ATOM 870 CB GLU A 62 8.814 7.997 6.473 1.00 0.00 C ATOM 871 CG GLU A 62 9.682 9.075 5.815 1.00 0.00 C ATOM 872 CD GLU A 62 11.062 9.264 6.452 1.00 0.00 C ATOM 873 OE1 GLU A 62 11.491 8.470 7.321 1.00 0.00 O ATOM 874 OE2 GLU A 62 11.753 10.216 6.015 1.00 0.00 O ATOM 0 H GLU A 62 6.987 9.360 5.231 1.00 0.00 H new ATOM 0 HA GLU A 62 8.296 6.783 4.817 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.316 8.418 7.346 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.452 7.188 6.829 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.814 8.823 4.763 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.147 10.024 5.851 1.00 0.00 H new ATOM 881 N LYS A 63 5.881 7.296 7.038 1.00 0.00 N ATOM 882 CA LYS A 63 4.979 6.677 7.990 1.00 0.00 C ATOM 883 C LYS A 63 3.662 7.415 7.890 1.00 0.00 C ATOM 884 O LYS A 63 3.613 8.579 8.306 1.00 0.00 O ATOM 885 CB LYS A 63 5.584 6.770 9.411 1.00 0.00 C ATOM 886 CG LYS A 63 4.865 5.834 10.389 1.00 0.00 C ATOM 887 CD LYS A 63 5.552 4.466 10.445 1.00 0.00 C ATOM 888 CE LYS A 63 6.568 4.383 11.585 1.00 0.00 C ATOM 889 NZ LYS A 63 5.955 3.841 12.813 1.00 0.00 N ATOM 0 H LYS A 63 5.810 8.313 7.016 1.00 0.00 H new ATOM 0 HA LYS A 63 4.824 5.619 7.777 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.643 6.516 9.374 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.515 7.797 9.771 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.854 6.280 11.383 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.826 5.711 10.083 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.800 3.687 10.572 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.054 4.273 9.497 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.404 3.751 11.284 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.974 5.375 11.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.615 3.954 13.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.074 4.355 13.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.743 2.832 12.679 1.00 0.00 H new ATOM 903 N VAL A 64 2.628 6.813 7.316 1.00 0.00 N ATOM 904 CA VAL A 64 1.284 7.272 7.399 1.00 0.00 C ATOM 905 C VAL A 64 0.336 6.083 7.599 1.00 0.00 C ATOM 906 O VAL A 64 0.666 4.944 7.257 1.00 0.00 O ATOM 907 CB VAL A 64 0.954 8.016 6.109 1.00 0.00 C ATOM 908 CG1 VAL A 64 1.764 9.300 5.876 1.00 0.00 C ATOM 909 CG2 VAL A 64 0.929 7.181 4.831 1.00 0.00 C ATOM 0 H VAL A 64 2.727 5.961 6.764 1.00 0.00 H new ATOM 0 HA VAL A 64 1.163 7.943 8.250 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.079 8.298 6.312 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.458 9.757 4.935 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.583 9.998 6.694 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.826 9.058 5.834 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.683 7.821 3.983 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.908 6.729 4.673 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.178 6.397 4.924 1.00 0.00 H new ATOM 919 N THR A 65 -0.887 6.386 8.020 1.00 0.00 N ATOM 920 CA THR A 65 -2.041 5.504 7.970 1.00 0.00 C ATOM 921 C THR A 65 -3.087 6.232 7.130 1.00 0.00 C ATOM 922 O THR A 65 -3.615 7.261 7.579 1.00 0.00 O ATOM 923 CB THR A 65 -2.573 5.219 9.380 1.00 0.00 C ATOM 924 OG1 THR A 65 -1.545 4.848 10.272 1.00 0.00 O ATOM 925 CG2 THR A 65 -3.674 4.161 9.373 1.00 0.00 C ATOM 0 H THR A 65 -1.108 7.296 8.424 1.00 0.00 H new ATOM 0 HA THR A 65 -1.785 4.538 7.536 1.00 0.00 H new ATOM 0 HB THR A 65 -3.004 6.155 9.735 1.00 0.00 H new ATOM 0 HG1 THR A 65 -1.927 4.677 11.158 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.021 3.991 10.392 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.506 4.506 8.759 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.282 3.230 8.963 1.00 0.00 H new ATOM 933 N LEU A 66 -3.347 5.766 5.906 1.00 0.00 N ATOM 934 CA LEU A 66 -4.461 6.255 5.099 1.00 0.00 C ATOM 935 C LEU A 66 -5.687 5.368 5.324 1.00 0.00 C ATOM 936 O LEU A 66 -5.539 4.186 5.644 1.00 0.00 O ATOM 937 CB LEU A 66 -4.131 6.137 3.615 1.00 0.00 C ATOM 938 CG LEU A 66 -3.093 7.093 3.033 1.00 0.00 C ATOM 939 CD1 LEU A 66 -2.920 6.623 1.584 1.00 0.00 C ATOM 940 CD2 LEU A 66 -3.561 8.548 3.109 1.00 0.00 C ATOM 0 H LEU A 66 -2.792 5.042 5.450 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.647 7.290 5.384 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.789 5.119 3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.057 6.269 3.056 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.154 7.074 3.586 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.188 7.255 1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.574 5.589 1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.875 6.690 1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.796 9.199 2.685 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.487 8.662 2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.734 8.821 4.150 1.00 0.00 H new ATOM 952 N SER A 67 -6.892 5.868 5.036 1.00 0.00 N ATOM 953 CA SER A 67 -8.113 5.068 5.103 1.00 0.00 C ATOM 954 C SER A 67 -9.227 5.832 4.391 1.00 0.00 C ATOM 955 O SER A 67 -9.089 7.019 4.105 1.00 0.00 O ATOM 956 CB SER A 67 -8.461 4.787 6.571 1.00 0.00 C ATOM 957 OG SER A 67 -9.555 3.908 6.706 1.00 0.00 O ATOM 0 H SER A 67 -7.046 6.835 4.751 1.00 0.00 H new ATOM 0 HA SER A 67 -7.979 4.106 4.609 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.592 4.361 7.072 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.690 5.727 7.074 1.00 0.00 H new ATOM 0 HG SER A 67 -9.323 3.036 6.325 1.00 0.00 H new ATOM 963 N THR A 68 -10.318 5.157 4.063 1.00 0.00 N ATOM 964 CA THR A 68 -11.494 5.711 3.409 1.00 0.00 C ATOM 965 C THR A 68 -12.393 6.463 4.381 1.00 0.00 C ATOM 966 O THR A 68 -12.296 6.258 5.594 1.00 0.00 O ATOM 967 CB THR A 68 -12.264 4.546 2.787 1.00 0.00 C ATOM 968 OG1 THR A 68 -12.182 3.360 3.577 1.00 0.00 O ATOM 969 CG2 THR A 68 -11.696 4.244 1.405 1.00 0.00 C ATOM 0 H THR A 68 -10.412 4.160 4.255 1.00 0.00 H new ATOM 0 HA THR A 68 -11.177 6.430 2.654 1.00 0.00 H new ATOM 0 HB THR A 68 -13.310 4.845 2.727 1.00 0.00 H new ATOM 0 HG1 THR A 68 -12.771 3.444 4.356 1.00 0.00 H new ATOM 0 HG21 THR A 68 -12.244 3.413 0.960 1.00 0.00 H new ATOM 0 HG22 THR A 68 -11.794 5.125 0.771 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.643 3.977 1.495 1.00 0.00 H new ATOM 977 N THR A 69 -13.328 7.256 3.844 1.00 0.00 N ATOM 978 CA THR A 69 -14.310 7.942 4.671 1.00 0.00 C ATOM 979 C THR A 69 -15.702 7.294 4.576 1.00 0.00 C ATOM 980 O THR A 69 -16.506 7.514 5.476 1.00 0.00 O ATOM 981 CB THR A 69 -14.302 9.454 4.372 1.00 0.00 C ATOM 982 OG1 THR A 69 -14.865 9.789 3.121 1.00 0.00 O ATOM 983 CG2 THR A 69 -12.876 10.019 4.403 1.00 0.00 C ATOM 0 H THR A 69 -13.420 7.434 2.844 1.00 0.00 H new ATOM 0 HA THR A 69 -14.024 7.830 5.717 1.00 0.00 H new ATOM 0 HB THR A 69 -14.917 9.893 5.158 1.00 0.00 H new ATOM 0 HG1 THR A 69 -14.335 9.382 2.404 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.903 11.087 4.188 1.00 0.00 H new ATOM 0 HG22 THR A 69 -12.442 9.858 5.390 1.00 0.00 H new ATOM 0 HG23 THR A 69 -12.268 9.514 3.653 1.00 0.00 H new ATOM 991 N GLY A 70 -15.994 6.456 3.568 1.00 0.00 N ATOM 992 CA GLY A 70 -17.318 5.856 3.372 1.00 0.00 C ATOM 993 C GLY A 70 -17.246 4.349 3.127 1.00 0.00 C ATOM 994 O GLY A 70 -17.001 3.588 4.063 1.00 0.00 O ATOM 0 H GLY A 70 -15.312 6.176 2.863 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -17.935 6.049 4.250 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -17.809 6.336 2.525 1.00 0.00 H new ATOM 998 N LYS A 71 -17.463 3.912 1.884 1.00 0.00 N ATOM 999 CA LYS A 71 -17.294 2.555 1.364 1.00 0.00 C ATOM 1000 C LYS A 71 -16.645 2.638 -0.013 1.00 0.00 C ATOM 1001 O LYS A 71 -17.032 3.508 -0.787 1.00 0.00 O ATOM 1002 CB LYS A 71 -18.670 1.902 1.246 1.00 0.00 C ATOM 1003 CG LYS A 71 -19.248 1.425 2.588 1.00 0.00 C ATOM 1004 CD LYS A 71 -18.290 0.505 3.345 1.00 0.00 C ATOM 1005 CE LYS A 71 -19.024 -0.462 4.265 1.00 0.00 C ATOM 1006 NZ LYS A 71 -19.753 -1.544 3.561 1.00 0.00 N ATOM 0 H LYS A 71 -17.788 4.550 1.158 1.00 0.00 H new ATOM 0 HA LYS A 71 -16.665 1.964 2.030 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -19.362 2.614 0.796 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -18.601 1.051 0.568 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -19.481 2.291 3.208 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -20.186 0.899 2.409 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -17.692 -0.060 2.630 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -17.599 1.109 3.933 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -18.304 -0.911 4.949 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -19.732 0.101 4.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -19.668 -2.429 4.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -20.757 -1.287 3.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -19.346 -1.677 2.613 1.00 0.00 H new ATOM 1020 N ALA A 72 -15.714 1.742 -0.347 1.00 0.00 N ATOM 1021 CA ALA A 72 -14.832 1.764 -1.512 1.00 0.00 C ATOM 1022 C ALA A 72 -15.264 0.719 -2.520 1.00 0.00 C ATOM 1023 O ALA A 72 -15.446 -0.438 -2.139 1.00 0.00 O ATOM 1024 CB ALA A 72 -13.416 1.432 -1.076 1.00 0.00 C ATOM 0 H ALA A 72 -15.546 0.921 0.235 1.00 0.00 H new ATOM 0 HA ALA A 72 -14.879 2.756 -1.962 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.755 1.448 -1.943 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.077 2.169 -0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -13.398 0.441 -0.624 1.00 0.00 H new ATOM 1030 N ILE A 73 -15.376 1.104 -3.791 1.00 0.00 N ATOM 1031 CA ILE A 73 -15.864 0.206 -4.829 1.00 0.00 C ATOM 1032 C ILE A 73 -14.752 -0.755 -5.249 1.00 0.00 C ATOM 1033 O ILE A 73 -14.940 -1.964 -5.232 1.00 0.00 O ATOM 1034 CB ILE A 73 -16.392 1.003 -6.042 1.00 0.00 C ATOM 1035 CG1 ILE A 73 -17.157 2.282 -5.689 1.00 0.00 C ATOM 1036 CG2 ILE A 73 -17.302 0.135 -6.896 1.00 0.00 C ATOM 1037 CD1 ILE A 73 -18.391 2.134 -4.784 1.00 0.00 C ATOM 0 H ILE A 73 -15.133 2.037 -4.124 1.00 0.00 H new ATOM 0 HA ILE A 73 -16.695 -0.375 -4.428 1.00 0.00 H new ATOM 0 HB ILE A 73 -15.493 1.302 -6.582 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -16.463 2.968 -5.204 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -17.474 2.754 -6.619 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -17.664 0.714 -7.746 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -16.746 -0.730 -7.257 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -18.149 -0.202 -6.299 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -18.837 3.114 -4.614 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -19.120 1.482 -5.266 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -18.092 1.701 -3.830 1.00 0.00 H new ATOM 1049 N GLU A 74 -13.563 -0.240 -5.566 1.00 0.00 N ATOM 1050 CA GLU A 74 -12.459 -1.029 -6.125 1.00 0.00 C ATOM 1051 C GLU A 74 -11.138 -0.452 -5.594 1.00 0.00 C ATOM 1052 O GLU A 74 -11.028 0.775 -5.459 1.00 0.00 O ATOM 1053 CB GLU A 74 -12.450 -0.987 -7.669 1.00 0.00 C ATOM 1054 CG GLU A 74 -13.778 -1.184 -8.433 1.00 0.00 C ATOM 1055 CD GLU A 74 -14.293 -2.613 -8.660 1.00 0.00 C ATOM 1056 OE1 GLU A 74 -13.558 -3.459 -9.221 1.00 0.00 O ATOM 1057 OE2 GLU A 74 -15.523 -2.810 -8.507 1.00 0.00 O ATOM 0 H GLU A 74 -13.335 0.746 -5.441 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.584 -2.069 -5.823 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.038 -0.024 -7.969 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.755 -1.753 -8.015 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.552 -0.635 -7.897 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -13.671 -0.712 -9.410 1.00 0.00 H new ATOM 1064 N PHE A 75 -10.157 -1.322 -5.332 1.00 0.00 N ATOM 1065 CA PHE A 75 -8.864 -1.053 -4.693 1.00 0.00 C ATOM 1066 C PHE A 75 -7.791 -2.005 -5.210 1.00 0.00 C ATOM 1067 O PHE A 75 -8.127 -3.083 -5.699 1.00 0.00 O ATOM 1068 CB PHE A 75 -9.001 -1.256 -3.176 1.00 0.00 C ATOM 1069 CG PHE A 75 -8.937 0.084 -2.514 1.00 0.00 C ATOM 1070 CD1 PHE A 75 -7.708 0.758 -2.475 1.00 0.00 C ATOM 1071 CD2 PHE A 75 -10.118 0.731 -2.137 1.00 0.00 C ATOM 1072 CE1 PHE A 75 -7.666 2.103 -2.097 1.00 0.00 C ATOM 1073 CE2 PHE A 75 -10.069 2.077 -1.750 1.00 0.00 C ATOM 1074 CZ PHE A 75 -8.846 2.761 -1.737 1.00 0.00 C ATOM 0 H PHE A 75 -10.253 -2.307 -5.580 1.00 0.00 H new ATOM 0 HA PHE A 75 -8.573 -0.028 -4.925 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.944 -1.750 -2.943 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.204 -1.901 -2.806 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.797 0.240 -2.736 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -11.058 0.199 -2.144 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.725 2.632 -2.083 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -10.976 2.588 -1.461 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.815 3.801 -1.448 1.00 0.00 H new ATOM 1084 N ALA A 76 -6.508 -1.671 -5.014 1.00 0.00 N ATOM 1085 CA ALA A 76 -5.424 -2.633 -5.194 1.00 0.00 C ATOM 1086 C ALA A 76 -4.302 -2.408 -4.186 1.00 0.00 C ATOM 1087 O ALA A 76 -3.975 -1.270 -3.848 1.00 0.00 O ATOM 1088 CB ALA A 76 -4.882 -2.559 -6.622 1.00 0.00 C ATOM 0 H ALA A 76 -6.201 -0.741 -4.731 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.830 -3.630 -5.020 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.075 -3.281 -6.743 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.681 -2.787 -7.327 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.503 -1.555 -6.816 1.00 0.00 H new ATOM 1094 N VAL A 77 -3.660 -3.490 -3.756 1.00 0.00 N ATOM 1095 CA VAL A 77 -2.473 -3.491 -2.894 1.00 0.00 C ATOM 1096 C VAL A 77 -1.386 -4.299 -3.624 1.00 0.00 C ATOM 1097 O VAL A 77 -0.679 -5.149 -3.085 1.00 0.00 O ATOM 1098 CB VAL A 77 -2.819 -3.950 -1.462 1.00 0.00 C ATOM 1099 CG1 VAL A 77 -1.644 -3.650 -0.518 1.00 0.00 C ATOM 1100 CG2 VAL A 77 -4.067 -3.234 -0.913 1.00 0.00 C ATOM 0 H VAL A 77 -3.962 -4.431 -4.007 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.075 -2.490 -2.731 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.018 -5.021 -1.510 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.895 -3.977 0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.757 -4.182 -0.861 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.445 -2.578 -0.513 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.274 -3.587 0.097 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.890 -2.159 -0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.921 -3.449 -1.555 1.00 0.00 H new ATOM 1110 N SER A 78 -1.308 -4.033 -4.918 1.00 0.00 N ATOM 1111 CA SER A 78 -0.303 -4.438 -5.879 1.00 0.00 C ATOM 1112 C SER A 78 1.075 -3.958 -5.414 1.00 0.00 C ATOM 1113 O SER A 78 1.171 -2.944 -4.712 1.00 0.00 O ATOM 1114 CB SER A 78 -0.715 -3.825 -7.235 1.00 0.00 C ATOM 1115 OG SER A 78 -1.486 -2.635 -7.080 1.00 0.00 O ATOM 0 H SER A 78 -2.028 -3.466 -5.366 1.00 0.00 H new ATOM 0 HA SER A 78 -0.236 -5.522 -5.976 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.179 -3.602 -7.817 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.291 -4.557 -7.802 1.00 0.00 H new ATOM 0 HG SER A 78 -1.723 -2.281 -7.963 1.00 0.00 H new ATOM 1121 N GLY A 79 2.138 -4.658 -5.816 1.00 0.00 N ATOM 1122 CA GLY A 79 3.498 -4.384 -5.368 1.00 0.00 C ATOM 1123 C GLY A 79 4.522 -4.784 -6.423 1.00 0.00 C ATOM 1124 O GLY A 79 4.149 -5.105 -7.553 1.00 0.00 O ATOM 0 H GLY A 79 2.074 -5.439 -6.469 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.601 -3.323 -5.142 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.695 -4.927 -4.444 1.00 0.00 H new ATOM 1128 N GLY A 80 5.802 -4.746 -6.065 1.00 0.00 N ATOM 1129 CA GLY A 80 6.936 -4.915 -6.964 1.00 0.00 C ATOM 1130 C GLY A 80 7.551 -3.549 -7.267 1.00 0.00 C ATOM 1131 O GLY A 80 6.839 -2.540 -7.344 1.00 0.00 O ATOM 0 H GLY A 80 6.088 -4.590 -5.098 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.680 -5.569 -6.509 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.613 -5.394 -7.888 1.00 0.00 H new ATOM 1135 N VAL A 81 8.874 -3.499 -7.412 1.00 0.00 N ATOM 1136 CA VAL A 81 9.658 -2.279 -7.583 1.00 0.00 C ATOM 1137 C VAL A 81 10.973 -2.634 -8.278 1.00 0.00 C ATOM 1138 O VAL A 81 11.279 -3.822 -8.440 1.00 0.00 O ATOM 1139 CB VAL A 81 9.787 -1.593 -6.200 1.00 0.00 C ATOM 1140 CG1 VAL A 81 10.706 -2.337 -5.229 1.00 0.00 C ATOM 1141 CG2 VAL A 81 10.229 -0.133 -6.282 1.00 0.00 C ATOM 0 H VAL A 81 9.451 -4.340 -7.414 1.00 0.00 H new ATOM 0 HA VAL A 81 9.181 -1.546 -8.234 1.00 0.00 H new ATOM 0 HB VAL A 81 8.771 -1.627 -5.807 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.748 -1.798 -4.282 1.00 0.00 H new ATOM 0 HG12 VAL A 81 10.318 -3.341 -5.058 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.708 -2.402 -5.654 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.298 0.283 -5.277 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.204 -0.075 -6.767 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.501 0.436 -6.861 1.00 0.00 H new ATOM 1295 N MET A 93 17.122 -2.387 3.008 1.00 0.00 N ATOM 1296 CA MET A 93 15.845 -1.697 3.093 1.00 0.00 C ATOM 1297 C MET A 93 14.811 -2.671 3.687 1.00 0.00 C ATOM 1298 O MET A 93 14.937 -3.898 3.571 1.00 0.00 O ATOM 1299 CB MET A 93 15.446 -1.137 1.711 1.00 0.00 C ATOM 1300 CG MET A 93 14.796 -2.160 0.766 1.00 0.00 C ATOM 1301 SD MET A 93 15.778 -3.624 0.332 1.00 0.00 S ATOM 1302 CE MET A 93 16.619 -3.027 -1.167 1.00 0.00 C ATOM 0 HA MET A 93 15.905 -0.832 3.753 1.00 0.00 H new ATOM 0 HB2 MET A 93 14.755 -0.307 1.856 1.00 0.00 H new ATOM 0 HB3 MET A 93 16.335 -0.731 1.228 1.00 0.00 H new ATOM 0 HG2 MET A 93 13.866 -2.499 1.223 1.00 0.00 H new ATOM 0 HG3 MET A 93 14.529 -1.646 -0.157 1.00 0.00 H new ATOM 0 HE1 MET A 93 17.264 -3.813 -1.560 1.00 0.00 H new ATOM 0 HE2 MET A 93 15.876 -2.758 -1.918 1.00 0.00 H new ATOM 0 HE3 MET A 93 17.221 -2.152 -0.922 1.00 0.00 H new ATOM 1312 N GLN A 94 13.736 -2.138 4.268 1.00 0.00 N ATOM 1313 CA GLN A 94 12.546 -2.912 4.586 1.00 0.00 C ATOM 1314 C GLN A 94 11.331 -2.104 4.165 1.00 0.00 C ATOM 1315 O GLN A 94 11.346 -0.871 4.172 1.00 0.00 O ATOM 1316 CB GLN A 94 12.486 -3.297 6.081 1.00 0.00 C ATOM 1317 CG GLN A 94 13.081 -4.694 6.307 1.00 0.00 C ATOM 1318 CD GLN A 94 12.848 -5.237 7.714 1.00 0.00 C ATOM 1319 OE1 GLN A 94 13.783 -5.449 8.486 1.00 0.00 O ATOM 1320 NE2 GLN A 94 11.607 -5.556 8.051 1.00 0.00 N ATOM 0 H GLN A 94 13.670 -1.154 4.530 1.00 0.00 H new ATOM 0 HA GLN A 94 12.570 -3.855 4.040 1.00 0.00 H new ATOM 0 HB2 GLN A 94 13.033 -2.563 6.673 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.452 -3.277 6.425 1.00 0.00 H new ATOM 0 HG2 GLN A 94 12.649 -5.385 5.584 1.00 0.00 H new ATOM 0 HG3 GLN A 94 14.153 -4.659 6.113 1.00 0.00 H new ATOM 0 HE21 GLN A 94 10.840 -5.376 7.403 1.00 0.00 H new ATOM 0 HE22 GLN A 94 11.418 -5.982 8.958 1.00 0.00 H new ATOM 1329 N TRP A 95 10.264 -2.821 3.836 1.00 0.00 N ATOM 1330 CA TRP A 95 8.976 -2.276 3.452 1.00 0.00 C ATOM 1331 C TRP A 95 7.963 -3.217 4.085 1.00 0.00 C ATOM 1332 O TRP A 95 7.751 -4.311 3.564 1.00 0.00 O ATOM 1333 CB TRP A 95 8.883 -2.211 1.915 1.00 0.00 C ATOM 1334 CG TRP A 95 8.570 -0.876 1.340 1.00 0.00 C ATOM 1335 CD1 TRP A 95 9.330 0.234 1.468 1.00 0.00 C ATOM 1336 CD2 TRP A 95 7.435 -0.503 0.503 1.00 0.00 C ATOM 1337 NE1 TRP A 95 8.753 1.255 0.747 1.00 0.00 N ATOM 1338 CE2 TRP A 95 7.565 0.872 0.168 1.00 0.00 C ATOM 1339 CE3 TRP A 95 6.317 -1.187 -0.019 1.00 0.00 C ATOM 1340 CZ2 TRP A 95 6.617 1.550 -0.611 1.00 0.00 C ATOM 1341 CZ3 TRP A 95 5.358 -0.520 -0.807 1.00 0.00 C ATOM 1342 CH2 TRP A 95 5.506 0.846 -1.109 1.00 0.00 C ATOM 0 H TRP A 95 10.277 -3.841 3.830 1.00 0.00 H new ATOM 0 HA TRP A 95 8.803 -1.255 3.791 1.00 0.00 H new ATOM 0 HB2 TRP A 95 9.831 -2.552 1.498 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.119 -2.915 1.586 1.00 0.00 H new ATOM 0 HD1 TRP A 95 10.242 0.308 2.042 1.00 0.00 H new ATOM 0 HE1 TRP A 95 9.159 2.186 0.653 1.00 0.00 H new ATOM 0 HE3 TRP A 95 6.194 -2.240 0.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 6.738 2.601 -0.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 4.502 -1.062 -1.182 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.771 1.351 -1.719 1.00 0.00 H new ATOM 1353 N VAL A 96 7.459 -2.879 5.271 1.00 0.00 N ATOM 1354 CA VAL A 96 6.543 -3.724 6.026 1.00 0.00 C ATOM 1355 C VAL A 96 5.145 -3.160 5.781 1.00 0.00 C ATOM 1356 O VAL A 96 4.854 -2.033 6.200 1.00 0.00 O ATOM 1357 CB VAL A 96 6.951 -3.739 7.513 1.00 0.00 C ATOM 1358 CG1 VAL A 96 6.073 -4.711 8.309 1.00 0.00 C ATOM 1359 CG2 VAL A 96 8.412 -4.189 7.685 1.00 0.00 C ATOM 0 H VAL A 96 7.680 -1.999 5.738 1.00 0.00 H new ATOM 0 HA VAL A 96 6.568 -4.767 5.709 1.00 0.00 H new ATOM 0 HB VAL A 96 6.826 -2.721 7.883 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.379 -4.705 9.355 1.00 0.00 H new ATOM 0 HG12 VAL A 96 5.030 -4.404 8.234 1.00 0.00 H new ATOM 0 HG13 VAL A 96 6.185 -5.717 7.904 1.00 0.00 H new ATOM 0 HG21 VAL A 96 8.670 -4.189 8.744 1.00 0.00 H new ATOM 0 HG22 VAL A 96 8.533 -5.194 7.282 1.00 0.00 H new ATOM 0 HG23 VAL A 96 9.069 -3.502 7.151 1.00 0.00 H new ATOM 1369 N VAL A 97 4.312 -3.891 5.043 1.00 0.00 N ATOM 1370 CA VAL A 97 2.941 -3.506 4.708 1.00 0.00 C ATOM 1371 C VAL A 97 2.005 -4.431 5.502 1.00 0.00 C ATOM 1372 O VAL A 97 2.363 -5.587 5.729 1.00 0.00 O ATOM 1373 CB VAL A 97 2.743 -3.585 3.172 1.00 0.00 C ATOM 1374 CG1 VAL A 97 1.477 -2.834 2.737 1.00 0.00 C ATOM 1375 CG2 VAL A 97 3.934 -3.002 2.381 1.00 0.00 C ATOM 0 H VAL A 97 4.579 -4.794 4.650 1.00 0.00 H new ATOM 0 HA VAL A 97 2.716 -2.476 4.983 1.00 0.00 H new ATOM 0 HB VAL A 97 2.657 -4.648 2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.364 -2.907 1.655 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.607 -3.276 3.223 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.559 -1.786 3.023 1.00 0.00 H new ATOM 0 HG21 VAL A 97 3.737 -3.086 1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 97 4.067 -1.953 2.644 1.00 0.00 H new ATOM 0 HG23 VAL A 97 4.840 -3.556 2.627 1.00 0.00 H new ATOM 1385 N THR A 98 0.853 -3.932 5.951 1.00 0.00 N ATOM 1386 CA THR A 98 -0.113 -4.621 6.808 1.00 0.00 C ATOM 1387 C THR A 98 -1.498 -4.040 6.471 1.00 0.00 C ATOM 1388 O THR A 98 -1.773 -2.907 6.879 1.00 0.00 O ATOM 1389 CB THR A 98 0.236 -4.329 8.290 1.00 0.00 C ATOM 1390 OG1 THR A 98 1.606 -4.540 8.602 1.00 0.00 O ATOM 1391 CG2 THR A 98 -0.634 -5.163 9.226 1.00 0.00 C ATOM 0 H THR A 98 0.553 -2.986 5.714 1.00 0.00 H new ATOM 0 HA THR A 98 -0.098 -5.699 6.650 1.00 0.00 H new ATOM 0 HB THR A 98 0.033 -3.268 8.438 1.00 0.00 H new ATOM 0 HG1 THR A 98 1.761 -4.338 9.548 1.00 0.00 H new ATOM 0 HG21 THR A 98 -0.371 -4.942 10.260 1.00 0.00 H new ATOM 0 HG22 THR A 98 -1.684 -4.922 9.058 1.00 0.00 H new ATOM 0 HG23 THR A 98 -0.469 -6.222 9.029 1.00 0.00 H new ATOM 1399 N VAL A 99 -2.332 -4.678 5.648 1.00 0.00 N ATOM 1400 CA VAL A 99 -3.654 -4.132 5.303 1.00 0.00 C ATOM 1401 C VAL A 99 -4.732 -4.688 6.235 1.00 0.00 C ATOM 1402 O VAL A 99 -4.758 -5.876 6.574 1.00 0.00 O ATOM 1403 CB VAL A 99 -3.957 -4.374 3.812 1.00 0.00 C ATOM 1404 CG1 VAL A 99 -5.386 -3.991 3.396 1.00 0.00 C ATOM 1405 CG2 VAL A 99 -2.984 -3.552 2.962 1.00 0.00 C ATOM 0 H VAL A 99 -2.120 -5.573 5.206 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.650 -3.052 5.453 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.846 -5.446 3.651 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -5.521 -4.191 2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.102 -4.579 3.970 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.550 -2.931 3.590 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.193 -3.719 1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -3.104 -2.493 3.193 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.961 -3.858 3.182 1.00 0.00 H new ATOM 1415 N TYR A 100 -5.670 -3.817 6.605 1.00 0.00 N ATOM 1416 CA TYR A 100 -6.831 -4.123 7.425 1.00 0.00 C ATOM 1417 C TYR A 100 -8.055 -4.004 6.528 1.00 0.00 C ATOM 1418 O TYR A 100 -8.081 -3.146 5.645 1.00 0.00 O ATOM 1419 CB TYR A 100 -6.925 -3.140 8.609 1.00 0.00 C ATOM 1420 CG TYR A 100 -5.628 -2.978 9.392 1.00 0.00 C ATOM 1421 CD1 TYR A 100 -4.560 -2.197 8.896 1.00 0.00 C ATOM 1422 CD2 TYR A 100 -5.459 -3.703 10.583 1.00 0.00 C ATOM 1423 CE1 TYR A 100 -3.318 -2.192 9.562 1.00 0.00 C ATOM 1424 CE2 TYR A 100 -4.226 -3.689 11.259 1.00 0.00 C ATOM 1425 CZ TYR A 100 -3.141 -2.945 10.746 1.00 0.00 C ATOM 1426 OH TYR A 100 -1.935 -2.991 11.376 1.00 0.00 O ATOM 0 H TYR A 100 -5.635 -2.836 6.326 1.00 0.00 H new ATOM 0 HA TYR A 100 -6.759 -5.127 7.843 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -7.233 -2.164 8.233 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -7.706 -3.481 9.288 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -4.696 -1.603 8.005 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -6.283 -4.276 10.983 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -2.498 -1.611 9.167 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -4.108 -4.250 12.175 1.00 0.00 H new ATOM 0 HH TYR A 100 -2.004 -3.557 12.173 1.00 0.00 H new ATOM 1436 N LYS A 101 -9.079 -4.825 6.755 1.00 0.00 N ATOM 1437 CA LYS A 101 -10.406 -4.599 6.179 1.00 0.00 C ATOM 1438 C LYS A 101 -11.268 -3.934 7.244 1.00 0.00 C ATOM 1439 O LYS A 101 -10.801 -3.728 8.363 1.00 0.00 O ATOM 1440 CB LYS A 101 -11.008 -5.915 5.662 1.00 0.00 C ATOM 1441 CG LYS A 101 -11.886 -5.663 4.427 1.00 0.00 C ATOM 1442 CD LYS A 101 -12.408 -6.958 3.805 1.00 0.00 C ATOM 1443 CE LYS A 101 -13.052 -6.598 2.462 1.00 0.00 C ATOM 1444 NZ LYS A 101 -13.055 -7.745 1.537 1.00 0.00 N ATOM 0 H LYS A 101 -9.015 -5.659 7.338 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.347 -3.941 5.312 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -10.209 -6.612 5.410 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.602 -6.382 6.447 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -12.730 -5.033 4.708 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.311 -5.112 3.683 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.595 -7.669 3.662 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -13.135 -7.434 4.463 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -14.075 -6.261 2.627 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.511 -5.767 2.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.498 -7.465 0.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.077 -8.051 1.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -13.592 -8.529 1.958 1.00 0.00 H new ATOM 1458 N ASN A 102 -12.543 -3.689 6.941 1.00 0.00 N ATOM 1459 CA ASN A 102 -13.599 -3.536 7.933 1.00 0.00 C ATOM 1460 C ASN A 102 -13.651 -4.782 8.826 1.00 0.00 C ATOM 1461 O ASN A 102 -14.430 -5.708 8.580 1.00 0.00 O ATOM 1462 CB ASN A 102 -14.979 -3.161 7.338 1.00 0.00 C ATOM 1463 CG ASN A 102 -15.460 -3.869 6.075 1.00 0.00 C ATOM 1464 OD1 ASN A 102 -16.102 -3.260 5.220 1.00 0.00 O ATOM 1465 ND2 ASN A 102 -15.210 -5.152 5.903 1.00 0.00 N ATOM 0 H ASN A 102 -12.873 -3.590 5.981 1.00 0.00 H new ATOM 0 HA ASN A 102 -13.344 -2.674 8.549 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -15.727 -3.328 8.113 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -14.968 -2.091 7.131 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -15.548 -5.630 5.068 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -14.679 -5.667 6.605 1.00 0.00 H new ATOM 1472 N GLY A 103 -12.787 -4.827 9.838 1.00 0.00 N ATOM 1473 CA GLY A 103 -12.785 -5.838 10.878 1.00 0.00 C ATOM 1474 C GLY A 103 -11.443 -5.924 11.595 1.00 0.00 C ATOM 1475 O GLY A 103 -11.386 -5.696 12.803 1.00 0.00 O ATOM 0 H GLY A 103 -12.047 -4.135 9.955 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -13.568 -5.613 11.602 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -13.024 -6.807 10.440 1.00 0.00 H new ATOM 1479 N LYS A 104 -10.388 -6.333 10.888 1.00 0.00 N ATOM 1480 CA LYS A 104 -9.045 -6.534 11.426 1.00 0.00 C ATOM 1481 C LYS A 104 -8.045 -6.578 10.274 1.00 0.00 C ATOM 1482 O LYS A 104 -8.448 -6.483 9.110 1.00 0.00 O ATOM 1483 CB LYS A 104 -8.998 -7.807 12.296 1.00 0.00 C ATOM 1484 CG LYS A 104 -9.105 -9.129 11.517 1.00 0.00 C ATOM 1485 CD LYS A 104 -9.765 -10.219 12.362 1.00 0.00 C ATOM 1486 CE LYS A 104 -11.278 -10.001 12.319 1.00 0.00 C ATOM 1487 NZ LYS A 104 -12.039 -11.078 12.976 1.00 0.00 N ATOM 0 H LYS A 104 -10.449 -6.540 9.891 1.00 0.00 H new ATOM 0 HA LYS A 104 -8.774 -5.702 12.076 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -8.065 -7.809 12.860 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -9.810 -7.763 13.022 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -9.683 -8.971 10.607 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.111 -9.455 11.211 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -9.511 -11.206 11.976 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -9.403 -10.176 13.389 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -11.516 -9.052 12.800 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -11.598 -9.921 11.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -13.057 -10.872 12.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -11.839 -11.983 12.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -11.759 -11.140 13.976 1.00 0.00 H new ATOM 1501 N GLU A 105 -6.767 -6.769 10.600 1.00 0.00 N ATOM 1502 CA GLU A 105 -5.702 -7.104 9.663 1.00 0.00 C ATOM 1503 C GLU A 105 -6.141 -8.318 8.845 1.00 0.00 C ATOM 1504 O GLU A 105 -6.449 -9.365 9.423 1.00 0.00 O ATOM 1505 CB GLU A 105 -4.429 -7.428 10.450 1.00 0.00 C ATOM 1506 CG GLU A 105 -3.225 -7.771 9.564 1.00 0.00 C ATOM 1507 CD GLU A 105 -2.163 -8.566 10.332 1.00 0.00 C ATOM 1508 OE1 GLU A 105 -1.672 -8.085 11.382 1.00 0.00 O ATOM 1509 OE2 GLU A 105 -1.873 -9.716 9.923 1.00 0.00 O ATOM 0 H GLU A 105 -6.435 -6.691 11.561 1.00 0.00 H new ATOM 0 HA GLU A 105 -5.501 -6.268 8.993 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -4.174 -6.575 11.079 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -4.629 -8.267 11.117 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -3.560 -8.349 8.703 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -2.783 -6.852 9.179 1.00 0.00 H new ATOM 1516 N ILE A 106 -6.158 -8.196 7.522 1.00 0.00 N ATOM 1517 CA ILE A 106 -6.431 -9.298 6.607 1.00 0.00 C ATOM 1518 C ILE A 106 -5.183 -9.689 5.812 1.00 0.00 C ATOM 1519 O ILE A 106 -5.227 -10.706 5.114 1.00 0.00 O ATOM 1520 CB ILE A 106 -7.622 -8.966 5.683 1.00 0.00 C ATOM 1521 CG1 ILE A 106 -7.382 -7.677 4.861 1.00 0.00 C ATOM 1522 CG2 ILE A 106 -8.930 -8.902 6.498 1.00 0.00 C ATOM 1523 CD1 ILE A 106 -8.172 -7.662 3.551 1.00 0.00 C ATOM 0 H ILE A 106 -5.979 -7.311 7.047 1.00 0.00 H new ATOM 0 HA ILE A 106 -6.712 -10.167 7.203 1.00 0.00 H new ATOM 0 HB ILE A 106 -7.718 -9.772 4.955 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -7.662 -6.810 5.460 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.319 -7.583 4.641 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -9.762 -8.667 5.834 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -9.108 -9.865 6.976 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -8.846 -8.128 7.261 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -7.967 -6.736 3.013 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -7.874 -8.512 2.937 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -9.238 -7.727 3.768 1.00 0.00 H new ATOM 1535 N GLU A 107 -4.104 -8.901 5.879 1.00 0.00 N ATOM 1536 CA GLU A 107 -2.918 -9.097 5.064 1.00 0.00 C ATOM 1537 C GLU A 107 -1.685 -8.477 5.729 1.00 0.00 C ATOM 1538 O GLU A 107 -1.799 -7.560 6.543 1.00 0.00 O ATOM 1539 CB GLU A 107 -3.216 -8.498 3.679 1.00 0.00 C ATOM 1540 CG GLU A 107 -2.054 -8.523 2.680 1.00 0.00 C ATOM 1541 CD GLU A 107 -1.205 -7.246 2.576 1.00 0.00 C ATOM 1542 OE1 GLU A 107 -1.240 -6.395 3.491 1.00 0.00 O ATOM 1543 OE2 GLU A 107 -0.499 -7.142 1.543 1.00 0.00 O ATOM 0 H GLU A 107 -4.037 -8.103 6.510 1.00 0.00 H new ATOM 0 HA GLU A 107 -2.684 -10.156 4.956 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -4.057 -9.038 3.243 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -3.535 -7.464 3.812 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -1.395 -9.349 2.946 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -2.459 -8.744 1.692 1.00 0.00 H new ATOM 1550 N LYS A 108 -0.507 -8.971 5.339 1.00 0.00 N ATOM 1551 CA LYS A 108 0.792 -8.329 5.483 1.00 0.00 C ATOM 1552 C LYS A 108 1.631 -8.664 4.250 1.00 0.00 C ATOM 1553 O LYS A 108 1.271 -9.561 3.477 1.00 0.00 O ATOM 1554 CB LYS A 108 1.507 -8.813 6.756 1.00 0.00 C ATOM 1555 CG LYS A 108 1.296 -7.981 8.020 1.00 0.00 C ATOM 1556 CD LYS A 108 2.441 -8.097 9.039 1.00 0.00 C ATOM 1557 CE LYS A 108 2.810 -9.548 9.376 1.00 0.00 C ATOM 1558 NZ LYS A 108 4.141 -9.634 10.013 1.00 0.00 N ATOM 0 H LYS A 108 -0.436 -9.883 4.889 1.00 0.00 H new ATOM 0 HA LYS A 108 0.657 -7.251 5.569 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.182 -9.833 6.962 1.00 0.00 H new ATOM 0 HB3 LYS A 108 2.577 -8.855 6.551 1.00 0.00 H new ATOM 0 HG2 LYS A 108 1.177 -6.935 7.739 1.00 0.00 H new ATOM 0 HG3 LYS A 108 0.366 -8.291 8.496 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.321 -7.588 8.646 1.00 0.00 H new ATOM 0 HD3 LYS A 108 2.156 -7.580 9.955 1.00 0.00 H new ATOM 0 HE2 LYS A 108 2.058 -9.970 10.043 1.00 0.00 H new ATOM 0 HE3 LYS A 108 2.802 -10.148 8.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 4.360 -10.628 10.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 4.861 -9.253 9.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 4.141 -9.082 10.894 1.00 0.00 H new ATOM 1572 N LYS A 109 2.762 -7.972 4.093 1.00 0.00 N ATOM 1573 CA LYS A 109 3.855 -8.281 3.174 1.00 0.00 C ATOM 1574 C LYS A 109 5.088 -7.480 3.595 1.00 0.00 C ATOM 1575 O LYS A 109 5.072 -6.254 3.457 1.00 0.00 O ATOM 1576 CB LYS A 109 3.439 -7.915 1.737 1.00 0.00 C ATOM 1577 CG LYS A 109 3.224 -9.144 0.857 1.00 0.00 C ATOM 1578 CD LYS A 109 4.509 -9.681 0.238 1.00 0.00 C ATOM 1579 CE LYS A 109 4.898 -9.001 -1.086 1.00 0.00 C ATOM 1580 NZ LYS A 109 5.480 -7.647 -0.960 1.00 0.00 N ATOM 0 H LYS A 109 2.948 -7.130 4.638 1.00 0.00 H new ATOM 0 HA LYS A 109 4.087 -9.346 3.205 1.00 0.00 H new ATOM 0 HB2 LYS A 109 2.521 -7.329 1.767 1.00 0.00 H new ATOM 0 HB3 LYS A 109 4.206 -7.283 1.290 1.00 0.00 H new ATOM 0 HG2 LYS A 109 2.761 -9.931 1.452 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.524 -8.893 0.060 1.00 0.00 H new ATOM 0 HD2 LYS A 109 5.324 -9.556 0.952 1.00 0.00 H new ATOM 0 HD3 LYS A 109 4.397 -10.751 0.066 1.00 0.00 H new ATOM 0 HE2 LYS A 109 5.614 -9.638 -1.605 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.011 -8.939 -1.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 6.229 -7.523 -1.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 4.738 -6.935 -1.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 5.884 -7.530 -0.009 1.00 0.00 H new ATOM 1594 N SER A 110 6.147 -8.144 4.070 1.00 0.00 N ATOM 1595 CA SER A 110 7.431 -7.502 4.358 1.00 0.00 C ATOM 1596 C SER A 110 8.375 -7.777 3.201 1.00 0.00 C ATOM 1597 O SER A 110 8.779 -8.918 2.953 1.00 0.00 O ATOM 1598 CB SER A 110 8.036 -7.948 5.697 1.00 0.00 C ATOM 1599 OG SER A 110 9.347 -7.431 5.942 1.00 0.00 O ATOM 0 H SER A 110 6.136 -9.145 4.266 1.00 0.00 H new ATOM 0 HA SER A 110 7.267 -6.429 4.460 1.00 0.00 H new ATOM 0 HB2 SER A 110 7.376 -7.634 6.505 1.00 0.00 H new ATOM 0 HB3 SER A 110 8.075 -9.037 5.722 1.00 0.00 H new ATOM 0 HG SER A 110 9.669 -7.753 6.810 1.00 0.00 H new ATOM 1605 N LEU A 111 8.798 -6.720 2.519 1.00 0.00 N ATOM 1606 CA LEU A 111 10.024 -6.731 1.730 1.00 0.00 C ATOM 1607 C LEU A 111 11.207 -6.841 2.692 1.00 0.00 C ATOM 1608 O LEU A 111 11.109 -6.341 3.817 1.00 0.00 O ATOM 1609 CB LEU A 111 10.134 -5.414 0.941 1.00 0.00 C ATOM 1610 CG LEU A 111 10.444 -5.590 -0.545 1.00 0.00 C ATOM 1611 CD1 LEU A 111 9.240 -6.106 -1.339 1.00 0.00 C ATOM 1612 CD2 LEU A 111 10.900 -4.229 -1.083 1.00 0.00 C ATOM 0 H LEU A 111 8.300 -5.830 2.497 1.00 0.00 H new ATOM 0 HA LEU A 111 10.019 -7.569 1.033 1.00 0.00 H new ATOM 0 HB2 LEU A 111 9.197 -4.866 1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 111 10.913 -4.799 1.392 1.00 0.00 H new ATOM 0 HG LEU A 111 11.224 -6.342 -0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 111 9.515 -6.213 -2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 111 8.932 -7.074 -0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 111 8.415 -5.399 -1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 111 11.131 -4.316 -2.145 1.00 0.00 H new ATOM 0 HD22 LEU A 111 10.104 -3.497 -0.944 1.00 0.00 H new ATOM 0 HD23 LEU A 111 11.790 -3.904 -0.544 1.00 0.00 H new ATOM 1827 N ASN A 125 0.423 -9.070 -6.805 1.00 0.00 N ATOM 1828 CA ASN A 125 -0.765 -8.362 -7.268 1.00 0.00 C ATOM 1829 C ASN A 125 -1.962 -8.723 -6.396 1.00 0.00 C ATOM 1830 O ASN A 125 -2.362 -9.892 -6.377 1.00 0.00 O ATOM 1831 CB ASN A 125 -1.032 -8.653 -8.749 1.00 0.00 C ATOM 1832 CG ASN A 125 -1.731 -7.456 -9.367 1.00 0.00 C ATOM 1833 OD1 ASN A 125 -2.588 -6.838 -8.743 1.00 0.00 O ATOM 1834 ND2 ASN A 125 -1.387 -7.087 -10.584 1.00 0.00 N ATOM 0 HA ASN A 125 -0.595 -7.289 -7.178 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -0.095 -8.852 -9.269 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -1.650 -9.545 -8.852 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -1.834 -6.279 -11.018 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -0.673 -7.609 -11.093 1.00 0.00 H new ATOM 1841 N LEU A 126 -2.484 -7.759 -5.633 1.00 0.00 N ATOM 1842 CA LEU A 126 -3.653 -7.895 -4.768 1.00 0.00 C ATOM 1843 C LEU A 126 -4.663 -6.873 -5.253 1.00 0.00 C ATOM 1844 O LEU A 126 -4.281 -5.728 -5.503 1.00 0.00 O ATOM 1845 CB LEU A 126 -3.347 -7.531 -3.307 1.00 0.00 C ATOM 1846 CG LEU A 126 -2.541 -8.535 -2.480 1.00 0.00 C ATOM 1847 CD1 LEU A 126 -1.094 -8.703 -2.945 1.00 0.00 C ATOM 1848 CD2 LEU A 126 -2.512 -8.065 -1.030 1.00 0.00 C ATOM 0 H LEU A 126 -2.083 -6.821 -5.602 1.00 0.00 H new ATOM 0 HA LEU A 126 -3.996 -8.929 -4.808 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -2.808 -6.583 -3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -4.295 -7.361 -2.798 1.00 0.00 H new ATOM 0 HG LEU A 126 -3.036 -9.499 -2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -0.590 -9.431 -2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -1.082 -9.053 -3.977 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -0.578 -7.745 -2.881 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.940 -8.773 -0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -2.045 -7.082 -0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -3.531 -8.004 -0.647 1.00 0.00 H new ATOM 1860 N TYR A 127 -5.938 -7.244 -5.297 1.00 0.00 N ATOM 1861 CA TYR A 127 -6.997 -6.371 -5.769 1.00 0.00 C ATOM 1862 C TYR A 127 -8.245 -6.632 -4.936 1.00 0.00 C ATOM 1863 O TYR A 127 -8.555 -7.791 -4.643 1.00 0.00 O ATOM 1864 CB TYR A 127 -7.220 -6.624 -7.260 1.00 0.00 C ATOM 1865 CG TYR A 127 -8.047 -5.545 -7.919 1.00 0.00 C ATOM 1866 CD1 TYR A 127 -9.448 -5.596 -7.857 1.00 0.00 C ATOM 1867 CD2 TYR A 127 -7.415 -4.502 -8.616 1.00 0.00 C ATOM 1868 CE1 TYR A 127 -10.223 -4.610 -8.493 1.00 0.00 C ATOM 1869 CE2 TYR A 127 -8.181 -3.537 -9.289 1.00 0.00 C ATOM 1870 CZ TYR A 127 -9.590 -3.588 -9.234 1.00 0.00 C ATOM 1871 OH TYR A 127 -10.330 -2.719 -9.969 1.00 0.00 O ATOM 0 H TYR A 127 -6.264 -8.165 -5.004 1.00 0.00 H new ATOM 0 HA TYR A 127 -6.733 -5.320 -5.653 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -6.254 -6.692 -7.761 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -7.715 -7.586 -7.391 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -9.933 -6.396 -7.318 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -6.337 -4.442 -8.634 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -11.300 -4.634 -8.415 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -7.691 -2.755 -9.850 1.00 0.00 H new ATOM 0 HH TYR A 127 -9.736 -2.080 -10.415 1.00 0.00 H new ATOM 1881 N TYR A 128 -8.964 -5.575 -4.566 1.00 0.00 N ATOM 1882 CA TYR A 128 -10.099 -5.619 -3.655 1.00 0.00 C ATOM 1883 C TYR A 128 -11.278 -4.869 -4.266 1.00 0.00 C ATOM 1884 O TYR A 128 -11.114 -4.010 -5.133 1.00 0.00 O ATOM 1885 CB TYR A 128 -9.712 -5.025 -2.296 1.00 0.00 C ATOM 1886 CG TYR A 128 -8.646 -5.800 -1.541 1.00 0.00 C ATOM 1887 CD1 TYR A 128 -9.013 -6.891 -0.732 1.00 0.00 C ATOM 1888 CD2 TYR A 128 -7.293 -5.416 -1.624 1.00 0.00 C ATOM 1889 CE1 TYR A 128 -8.038 -7.590 -0.001 1.00 0.00 C ATOM 1890 CE2 TYR A 128 -6.312 -6.100 -0.879 1.00 0.00 C ATOM 1891 CZ TYR A 128 -6.689 -7.179 -0.047 1.00 0.00 C ATOM 1892 OH TYR A 128 -5.765 -7.809 0.730 1.00 0.00 O ATOM 0 H TYR A 128 -8.764 -4.634 -4.905 1.00 0.00 H new ATOM 0 HA TYR A 128 -10.394 -6.656 -3.496 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -9.360 -4.005 -2.449 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -10.605 -4.964 -1.674 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -10.048 -7.192 -0.673 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -7.006 -4.593 -2.262 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -8.321 -8.443 0.597 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -5.276 -5.801 -0.943 1.00 0.00 H new ATOM 0 HH TYR A 128 -6.034 -8.741 0.868 1.00 0.00 H new ATOM 1902 N ASN A 129 -12.474 -5.270 -3.848 1.00 0.00 N ATOM 1903 CA ASN A 129 -13.809 -4.918 -4.321 1.00 0.00 C ATOM 1904 C ASN A 129 -14.767 -5.805 -3.546 1.00 0.00 C ATOM 1905 O ASN A 129 -14.292 -6.691 -2.793 1.00 0.00 O ATOM 1906 CB ASN A 129 -13.980 -5.131 -5.833 1.00 0.00 C ATOM 1907 CG ASN A 129 -13.574 -6.546 -6.219 1.00 0.00 C ATOM 1908 OD1 ASN A 129 -14.290 -7.521 -6.020 1.00 0.00 O ATOM 1909 ND2 ASN A 129 -12.361 -6.702 -6.711 1.00 0.00 N ATOM 0 H ASN A 129 -12.538 -5.931 -3.074 1.00 0.00 H new ATOM 0 HA ASN A 129 -13.999 -3.857 -4.156 1.00 0.00 H new ATOM 0 HB2 ASN A 129 -15.017 -4.953 -6.117 1.00 0.00 H new ATOM 0 HB3 ASN A 129 -13.372 -4.410 -6.379 1.00 0.00 H new ATOM 0 HD21 ASN A 129 -12.015 -7.637 -6.928 1.00 0.00 H new ATOM 0 HD22 ASN A 129 -11.769 -5.888 -6.875 1.00 0.00 H new