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 -90:sc= -0.0803 USER MOD Set 1.2: A 69 THR OG1 : rot 150:sc= 0 USER MOD Set 2.1: A 29 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 30:sc= -0.0871 USER MOD Single : A 16 THR OG1 : rot -170:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 1.44 K(o=1.4,f=-5.9!) 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+ -161:sc= 1.22 (180deg=0.934) USER MOD Single : A 35 ASN : amide:sc= -0.0412 X(o=-0.041,f=-0.041) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -170:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 148:sc= 1.24 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= -0.0424 (180deg=-0.0424) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0784 USER MOD Single : A 67 SER OG : rot 46:sc= 0.327 USER MOD Single : A 68 THR OG1 : rot 82:sc= 1.31 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -136:sc= -0.437 (180deg=-1.78) USER MOD Single : A 94 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.11) 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 :FLIP amide:sc= -0.416 F(o=-1.7!,f=-0.42) 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= -0.0265 X(o=-0.026,f=-0.026) USER MOD Single : A 127 TYR OH : rot -93:sc= 1.18 USER MOD Single : A 128 TYR OH : rot -9:sc= 0.00932 USER MOD Single : A 129 ASN : amide:sc= -0.025 K(o=-0.025,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 109 N GLY A 10 -18.814 -3.751 -2.060 1.00 0.00 N ATOM 110 CA GLY A 10 -17.863 -2.852 -1.440 1.00 0.00 C ATOM 111 C GLY A 10 -17.425 -3.358 -0.063 1.00 0.00 C ATOM 112 O GLY A 10 -17.991 -4.312 0.476 1.00 0.00 O ATOM 0 HA2 GLY A 10 -16.990 -2.745 -2.084 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -18.309 -1.862 -1.340 1.00 0.00 H new ATOM 116 N ALA A 11 -16.378 -2.774 0.525 1.00 0.00 N ATOM 117 CA ALA A 11 -15.920 -3.089 1.880 1.00 0.00 C ATOM 118 C ALA A 11 -15.052 -1.957 2.425 1.00 0.00 C ATOM 119 O ALA A 11 -14.568 -1.116 1.667 1.00 0.00 O ATOM 120 CB ALA A 11 -15.146 -4.409 1.914 1.00 0.00 C ATOM 0 H ALA A 11 -15.816 -2.058 0.065 1.00 0.00 H new ATOM 0 HA ALA A 11 -16.801 -3.198 2.512 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -14.820 -4.614 2.934 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -15.791 -5.218 1.570 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -14.275 -4.337 1.262 1.00 0.00 H new ATOM 126 N MET A 12 -14.853 -1.921 3.744 1.00 0.00 N ATOM 127 CA MET A 12 -13.837 -1.065 4.354 1.00 0.00 C ATOM 128 C MET A 12 -12.502 -1.793 4.412 1.00 0.00 C ATOM 129 O MET A 12 -12.416 -3.015 4.244 1.00 0.00 O ATOM 130 CB MET A 12 -14.275 -0.560 5.737 1.00 0.00 C ATOM 131 CG MET A 12 -15.316 0.551 5.583 1.00 0.00 C ATOM 132 SD MET A 12 -14.708 2.251 5.806 1.00 0.00 S ATOM 133 CE MET A 12 -14.515 2.312 7.607 1.00 0.00 C ATOM 0 H MET A 12 -15.386 -2.478 4.412 1.00 0.00 H new ATOM 0 HA MET A 12 -13.713 -0.182 3.728 1.00 0.00 H new ATOM 0 HB2 MET A 12 -14.692 -1.382 6.318 1.00 0.00 H new ATOM 0 HB3 MET A 12 -13.411 -0.187 6.287 1.00 0.00 H new ATOM 0 HG2 MET A 12 -15.758 0.472 4.590 1.00 0.00 H new ATOM 0 HG3 MET A 12 -16.115 0.375 6.303 1.00 0.00 H new ATOM 0 HE1 MET A 12 -14.148 3.295 7.900 1.00 0.00 H new ATOM 0 HE2 MET A 12 -15.478 2.128 8.083 1.00 0.00 H new ATOM 0 HE3 MET A 12 -13.803 1.550 7.923 1.00 0.00 H new ATOM 143 N TYR A 13 -11.454 -1.028 4.651 1.00 0.00 N ATOM 144 CA TYR A 13 -10.164 -1.504 5.089 1.00 0.00 C ATOM 145 C TYR A 13 -9.498 -0.318 5.775 1.00 0.00 C ATOM 146 O TYR A 13 -9.976 0.819 5.694 1.00 0.00 O ATOM 147 CB TYR A 13 -9.342 -2.021 3.896 1.00 0.00 C ATOM 148 CG TYR A 13 -9.056 -0.985 2.829 1.00 0.00 C ATOM 149 CD1 TYR A 13 -10.029 -0.673 1.861 1.00 0.00 C ATOM 150 CD2 TYR A 13 -7.806 -0.344 2.802 1.00 0.00 C ATOM 151 CE1 TYR A 13 -9.756 0.296 0.885 1.00 0.00 C ATOM 152 CE2 TYR A 13 -7.512 0.610 1.815 1.00 0.00 C ATOM 153 CZ TYR A 13 -8.501 0.939 0.856 1.00 0.00 C ATOM 154 OH TYR A 13 -8.266 1.843 -0.130 1.00 0.00 O ATOM 0 H TYR A 13 -11.484 -0.015 4.539 1.00 0.00 H new ATOM 0 HA TYR A 13 -10.249 -2.347 5.775 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -8.395 -2.412 4.267 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -9.874 -2.856 3.440 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -10.983 -1.179 1.870 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -7.064 -0.588 3.548 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -10.509 0.551 0.154 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.544 1.087 1.787 1.00 0.00 H new ATOM 0 HH TYR A 13 -9.109 2.268 -0.392 1.00 0.00 H new ATOM 164 N GLU A 14 -8.384 -0.587 6.428 1.00 0.00 N ATOM 165 CA GLU A 14 -7.309 0.359 6.640 1.00 0.00 C ATOM 166 C GLU A 14 -6.089 -0.365 6.078 1.00 0.00 C ATOM 167 O GLU A 14 -6.107 -1.594 5.918 1.00 0.00 O ATOM 168 CB GLU A 14 -7.202 0.716 8.130 1.00 0.00 C ATOM 169 CG GLU A 14 -5.966 1.562 8.465 1.00 0.00 C ATOM 170 CD GLU A 14 -6.158 2.325 9.772 1.00 0.00 C ATOM 171 OE1 GLU A 14 -6.159 1.695 10.857 1.00 0.00 O ATOM 172 OE2 GLU A 14 -6.393 3.557 9.717 1.00 0.00 O ATOM 0 H GLU A 14 -8.198 -1.502 6.839 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.445 1.323 6.150 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.098 1.259 8.431 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.174 -0.203 8.715 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.091 0.917 8.542 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.773 2.265 7.655 1.00 0.00 H new ATOM 179 N VAL A 15 -5.049 0.371 5.731 1.00 0.00 N ATOM 180 CA VAL A 15 -3.813 -0.203 5.247 1.00 0.00 C ATOM 181 C VAL A 15 -2.700 0.665 5.810 1.00 0.00 C ATOM 182 O VAL A 15 -2.910 1.858 6.055 1.00 0.00 O ATOM 183 CB VAL A 15 -3.892 -0.304 3.709 1.00 0.00 C ATOM 184 CG1 VAL A 15 -3.910 1.035 2.972 1.00 0.00 C ATOM 185 CG2 VAL A 15 -2.782 -1.139 3.087 1.00 0.00 C ATOM 0 H VAL A 15 -5.041 1.390 5.778 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.617 -1.223 5.576 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.855 -0.796 3.577 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.967 0.858 1.898 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.777 1.614 3.291 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.999 1.589 3.201 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.907 -1.162 2.004 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.815 -0.699 3.331 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.828 -2.155 3.479 1.00 0.00 H new ATOM 195 N THR A 16 -1.528 0.084 6.010 1.00 0.00 N ATOM 196 CA THR A 16 -0.435 0.743 6.697 1.00 0.00 C ATOM 197 C THR A 16 0.825 0.439 5.912 1.00 0.00 C ATOM 198 O THR A 16 1.073 -0.734 5.590 1.00 0.00 O ATOM 199 CB THR A 16 -0.354 0.219 8.139 1.00 0.00 C ATOM 200 OG1 THR A 16 -1.631 0.015 8.703 1.00 0.00 O ATOM 201 CG2 THR A 16 0.352 1.218 9.041 1.00 0.00 C ATOM 0 H THR A 16 -1.310 -0.862 5.698 1.00 0.00 H new ATOM 0 HA THR A 16 -0.576 1.822 6.755 1.00 0.00 H new ATOM 0 HB THR A 16 0.191 -0.723 8.079 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.540 -0.165 9.662 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.396 0.824 10.056 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.364 1.388 8.673 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.197 2.159 9.041 1.00 0.00 H new ATOM 209 N ILE A 17 1.583 1.472 5.544 1.00 0.00 N ATOM 210 CA ILE A 17 2.843 1.319 4.847 1.00 0.00 C ATOM 211 C ILE A 17 3.926 1.868 5.751 1.00 0.00 C ATOM 212 O ILE A 17 3.850 3.008 6.212 1.00 0.00 O ATOM 213 CB ILE A 17 2.814 1.976 3.453 1.00 0.00 C ATOM 214 CG1 ILE A 17 4.192 1.838 2.782 1.00 0.00 C ATOM 215 CG2 ILE A 17 2.320 3.427 3.441 1.00 0.00 C ATOM 216 CD1 ILE A 17 4.413 0.389 2.332 1.00 0.00 C ATOM 0 H ILE A 17 1.330 2.443 5.727 1.00 0.00 H new ATOM 0 HA ILE A 17 3.047 0.268 4.642 1.00 0.00 H new ATOM 0 HB ILE A 17 2.068 1.433 2.873 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.257 2.508 1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.976 2.135 3.478 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.333 3.807 2.420 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.303 3.468 3.830 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.972 4.039 4.064 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.391 0.300 1.858 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.368 -0.272 3.198 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.638 0.107 1.620 1.00 0.00 H new ATOM 228 N GLU A 18 4.934 1.040 6.004 1.00 0.00 N ATOM 229 CA GLU A 18 5.968 1.338 6.961 1.00 0.00 C ATOM 230 C GLU A 18 7.303 1.223 6.255 1.00 0.00 C ATOM 231 O GLU A 18 7.859 0.125 6.145 1.00 0.00 O ATOM 232 CB GLU A 18 5.860 0.385 8.161 1.00 0.00 C ATOM 233 CG GLU A 18 4.530 0.463 8.921 1.00 0.00 C ATOM 234 CD GLU A 18 4.319 -0.801 9.752 1.00 0.00 C ATOM 235 OE1 GLU A 18 4.806 -0.860 10.906 1.00 0.00 O ATOM 236 OE2 GLU A 18 3.635 -1.738 9.286 1.00 0.00 O ATOM 0 H GLU A 18 5.048 0.138 5.541 1.00 0.00 H new ATOM 0 HA GLU A 18 5.864 2.350 7.353 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.004 -0.637 7.811 1.00 0.00 H new ATOM 0 HB3 GLU A 18 6.673 0.601 8.854 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.525 1.338 9.571 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.707 0.585 8.216 1.00 0.00 H new ATOM 243 N GLN A 19 7.804 2.347 5.744 1.00 0.00 N ATOM 244 CA GLN A 19 9.121 2.405 5.135 1.00 0.00 C ATOM 245 C GLN A 19 10.176 2.507 6.245 1.00 0.00 C ATOM 246 O GLN A 19 9.840 2.601 7.433 1.00 0.00 O ATOM 247 CB GLN A 19 9.194 3.559 4.113 1.00 0.00 C ATOM 248 CG GLN A 19 7.937 3.627 3.221 1.00 0.00 C ATOM 249 CD GLN A 19 8.194 4.226 1.843 1.00 0.00 C ATOM 250 OE1 GLN A 19 9.021 3.728 1.093 1.00 0.00 O ATOM 251 NE2 GLN A 19 7.443 5.225 1.442 1.00 0.00 N ATOM 0 H GLN A 19 7.306 3.237 5.743 1.00 0.00 H new ATOM 0 HA GLN A 19 9.323 1.495 4.570 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.313 4.504 4.643 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.076 3.431 3.486 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.533 2.622 3.101 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.174 4.218 3.728 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.756 5.633 2.076 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.546 5.593 0.496 1.00 0.00 H new ATOM 260 N SER A 20 11.452 2.429 5.866 1.00 0.00 N ATOM 261 CA SER A 20 12.622 2.758 6.666 1.00 0.00 C ATOM 262 C SER A 20 13.824 2.748 5.717 1.00 0.00 C ATOM 263 O SER A 20 13.743 2.198 4.611 1.00 0.00 O ATOM 264 CB SER A 20 12.796 1.761 7.819 1.00 0.00 C ATOM 265 OG SER A 20 13.615 2.293 8.837 1.00 0.00 O ATOM 0 H SER A 20 11.707 2.113 4.930 1.00 0.00 H new ATOM 0 HA SER A 20 12.517 3.739 7.130 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.820 1.504 8.231 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.235 0.838 7.441 1.00 0.00 H new ATOM 0 HG SER A 20 13.707 1.637 9.559 1.00 0.00 H new ATOM 271 N GLY A 21 14.938 3.318 6.163 1.00 0.00 N ATOM 272 CA GLY A 21 16.199 3.342 5.433 1.00 0.00 C ATOM 273 C GLY A 21 16.231 4.332 4.276 1.00 0.00 C ATOM 274 O GLY A 21 15.566 5.375 4.303 1.00 0.00 O ATOM 0 H GLY A 21 14.990 3.789 7.067 1.00 0.00 H new ATOM 0 HA2 GLY A 21 17.003 3.585 6.127 1.00 0.00 H new ATOM 0 HA3 GLY A 21 16.402 2.343 5.047 1.00 0.00 H new ATOM 278 N ASP A 22 17.056 4.031 3.269 1.00 0.00 N ATOM 279 CA ASP A 22 17.169 4.781 2.013 1.00 0.00 C ATOM 280 C ASP A 22 15.984 4.424 1.107 1.00 0.00 C ATOM 281 O ASP A 22 16.119 3.886 0.006 1.00 0.00 O ATOM 282 CB ASP A 22 18.518 4.516 1.322 1.00 0.00 C ATOM 283 CG ASP A 22 19.625 5.492 1.715 1.00 0.00 C ATOM 284 OD1 ASP A 22 19.382 6.719 1.775 1.00 0.00 O ATOM 285 OD2 ASP A 22 20.775 5.059 1.956 1.00 0.00 O ATOM 0 H ASP A 22 17.686 3.230 3.307 1.00 0.00 H new ATOM 0 HA ASP A 22 17.137 5.849 2.227 1.00 0.00 H new ATOM 0 HB2 ASP A 22 18.842 3.502 1.559 1.00 0.00 H new ATOM 0 HB3 ASP A 22 18.376 4.561 0.242 1.00 0.00 H new ATOM 290 N PHE A 23 14.781 4.695 1.600 1.00 0.00 N ATOM 291 CA PHE A 23 13.536 4.365 0.919 1.00 0.00 C ATOM 292 C PHE A 23 13.266 5.287 -0.264 1.00 0.00 C ATOM 293 O PHE A 23 12.556 4.882 -1.174 1.00 0.00 O ATOM 294 CB PHE A 23 12.357 4.361 1.903 1.00 0.00 C ATOM 295 CG PHE A 23 12.056 5.691 2.569 1.00 0.00 C ATOM 296 CD1 PHE A 23 11.395 6.714 1.861 1.00 0.00 C ATOM 297 CD2 PHE A 23 12.481 5.923 3.890 1.00 0.00 C ATOM 298 CE1 PHE A 23 11.204 7.970 2.459 1.00 0.00 C ATOM 299 CE2 PHE A 23 12.278 7.178 4.486 1.00 0.00 C ATOM 300 CZ PHE A 23 11.641 8.205 3.772 1.00 0.00 C ATOM 0 H PHE A 23 14.642 5.158 2.498 1.00 0.00 H new ATOM 0 HA PHE A 23 13.646 3.358 0.516 1.00 0.00 H new ATOM 0 HB2 PHE A 23 11.464 4.031 1.372 1.00 0.00 H new ATOM 0 HB3 PHE A 23 12.557 3.623 2.680 1.00 0.00 H new ATOM 0 HD1 PHE A 23 11.035 6.532 0.859 1.00 0.00 H new ATOM 0 HD2 PHE A 23 12.964 5.134 4.447 1.00 0.00 H new ATOM 0 HE1 PHE A 23 10.718 8.760 1.905 1.00 0.00 H new ATOM 0 HE2 PHE A 23 12.613 7.354 5.498 1.00 0.00 H new ATOM 0 HZ PHE A 23 11.488 9.171 4.230 1.00 0.00 H new ATOM 310 N ARG A 24 13.848 6.488 -0.336 1.00 0.00 N ATOM 311 CA ARG A 24 13.684 7.330 -1.522 1.00 0.00 C ATOM 312 C ARG A 24 14.558 6.843 -2.687 1.00 0.00 C ATOM 313 O ARG A 24 14.854 7.619 -3.590 1.00 0.00 O ATOM 314 CB ARG A 24 13.945 8.801 -1.206 1.00 0.00 C ATOM 315 CG ARG A 24 13.254 9.311 0.064 1.00 0.00 C ATOM 316 CD ARG A 24 13.210 10.843 0.105 1.00 0.00 C ATOM 317 NE ARG A 24 14.454 11.463 -0.374 1.00 0.00 N ATOM 318 CZ ARG A 24 15.663 11.349 0.178 1.00 0.00 C ATOM 319 NH1 ARG A 24 15.803 10.952 1.435 1.00 0.00 N ATOM 320 NH2 ARG A 24 16.744 11.618 -0.528 1.00 0.00 N ATOM 0 H ARG A 24 14.427 6.893 0.400 1.00 0.00 H new ATOM 0 HA ARG A 24 12.644 7.243 -1.838 1.00 0.00 H new ATOM 0 HB2 ARG A 24 15.020 8.953 -1.106 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.615 9.405 -2.051 1.00 0.00 H new ATOM 0 HG2 ARG A 24 12.239 8.916 0.111 1.00 0.00 H new ATOM 0 HG3 ARG A 24 13.782 8.938 0.941 1.00 0.00 H new ATOM 0 HD2 ARG A 24 12.377 11.194 -0.504 1.00 0.00 H new ATOM 0 HD3 ARG A 24 13.017 11.169 1.127 1.00 0.00 H new ATOM 0 HE ARG A 24 14.386 12.039 -1.213 1.00 0.00 H new ATOM 0 HH11 ARG A 24 14.980 10.729 1.994 1.00 0.00 H new ATOM 0 HH12 ARG A 24 16.734 10.870 1.843 1.00 0.00 H new ATOM 0 HH21 ARG A 24 16.658 11.915 -1.500 1.00 0.00 H new ATOM 0 HH22 ARG A 24 17.667 11.530 -0.102 1.00 0.00 H new ATOM 334 N SER A 25 14.996 5.585 -2.683 1.00 0.00 N ATOM 335 CA SER A 25 15.830 4.979 -3.706 1.00 0.00 C ATOM 336 C SER A 25 15.205 3.649 -4.124 1.00 0.00 C ATOM 337 O SER A 25 15.800 2.580 -3.995 1.00 0.00 O ATOM 338 CB SER A 25 17.263 4.851 -3.191 1.00 0.00 C ATOM 339 OG SER A 25 17.771 6.128 -2.841 1.00 0.00 O ATOM 0 H SER A 25 14.766 4.936 -1.931 1.00 0.00 H new ATOM 0 HA SER A 25 15.883 5.603 -4.598 1.00 0.00 H new ATOM 0 HB2 SER A 25 17.288 4.191 -2.324 1.00 0.00 H new ATOM 0 HB3 SER A 25 17.893 4.397 -3.956 1.00 0.00 H new ATOM 0 HG SER A 25 18.689 6.036 -2.511 1.00 0.00 H new ATOM 345 N PHE A 26 13.953 3.720 -4.569 1.00 0.00 N ATOM 346 CA PHE A 26 13.286 2.739 -5.414 1.00 0.00 C ATOM 347 C PHE A 26 12.186 3.463 -6.202 1.00 0.00 C ATOM 348 O PHE A 26 11.818 4.588 -5.858 1.00 0.00 O ATOM 349 CB PHE A 26 12.703 1.586 -4.575 1.00 0.00 C ATOM 350 CG PHE A 26 11.479 1.942 -3.740 1.00 0.00 C ATOM 351 CD1 PHE A 26 10.200 2.051 -4.325 1.00 0.00 C ATOM 352 CD2 PHE A 26 11.631 2.259 -2.382 1.00 0.00 C ATOM 353 CE1 PHE A 26 9.120 2.571 -3.594 1.00 0.00 C ATOM 354 CE2 PHE A 26 10.543 2.740 -1.639 1.00 0.00 C ATOM 355 CZ PHE A 26 9.300 2.942 -2.254 1.00 0.00 C ATOM 0 H PHE A 26 13.346 4.506 -4.336 1.00 0.00 H new ATOM 0 HA PHE A 26 14.003 2.292 -6.102 1.00 0.00 H new ATOM 0 HB2 PHE A 26 12.440 0.768 -5.245 1.00 0.00 H new ATOM 0 HB3 PHE A 26 13.481 1.214 -3.909 1.00 0.00 H new ATOM 0 HD1 PHE A 26 10.050 1.731 -5.346 1.00 0.00 H new ATOM 0 HD2 PHE A 26 12.592 2.132 -1.906 1.00 0.00 H new ATOM 0 HE1 PHE A 26 8.154 2.685 -4.062 1.00 0.00 H new ATOM 0 HE2 PHE A 26 10.664 2.956 -0.588 1.00 0.00 H new ATOM 0 HZ PHE A 26 8.485 3.381 -1.698 1.00 0.00 H new ATOM 365 N ILE A 27 11.601 2.798 -7.202 1.00 0.00 N ATOM 366 CA ILE A 27 10.532 3.302 -8.058 1.00 0.00 C ATOM 367 C ILE A 27 9.381 2.327 -8.067 1.00 0.00 C ATOM 368 O ILE A 27 9.528 1.173 -8.490 1.00 0.00 O ATOM 369 CB ILE A 27 11.074 3.536 -9.493 1.00 0.00 C ATOM 370 CG1 ILE A 27 12.230 4.556 -9.544 1.00 0.00 C ATOM 371 CG2 ILE A 27 9.970 3.945 -10.487 1.00 0.00 C ATOM 372 CD1 ILE A 27 11.847 5.945 -9.034 1.00 0.00 C ATOM 0 H ILE A 27 11.876 1.847 -7.446 1.00 0.00 H new ATOM 0 HA ILE A 27 10.171 4.254 -7.668 1.00 0.00 H new ATOM 0 HB ILE A 27 11.469 2.568 -9.801 1.00 0.00 H new ATOM 0 HG12 ILE A 27 13.063 4.178 -8.951 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.583 4.641 -10.572 1.00 0.00 H new ATOM 0 HG21 ILE A 27 10.407 4.095 -11.474 1.00 0.00 H new ATOM 0 HG22 ILE A 27 9.218 3.158 -10.539 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.504 4.871 -10.152 1.00 0.00 H new ATOM 0 HD11 ILE A 27 12.710 6.608 -9.100 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.035 6.345 -9.642 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.522 5.875 -7.996 1.00 0.00 H new ATOM 384 N LYS A 28 8.221 2.787 -7.590 1.00 0.00 N ATOM 385 CA LYS A 28 6.988 2.027 -7.655 1.00 0.00 C ATOM 386 C LYS A 28 5.778 2.911 -7.380 1.00 0.00 C ATOM 387 O LYS A 28 5.842 3.824 -6.563 1.00 0.00 O ATOM 388 CB LYS A 28 7.168 0.808 -6.729 1.00 0.00 C ATOM 389 CG LYS A 28 5.947 0.155 -6.109 1.00 0.00 C ATOM 390 CD LYS A 28 5.588 0.903 -4.819 1.00 0.00 C ATOM 391 CE LYS A 28 4.663 0.050 -3.937 1.00 0.00 C ATOM 392 NZ LYS A 28 3.554 -0.554 -4.699 1.00 0.00 N ATOM 0 H LYS A 28 8.119 3.701 -7.148 1.00 0.00 H new ATOM 0 HA LYS A 28 6.779 1.647 -8.655 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.696 0.042 -7.297 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.826 1.111 -5.914 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.110 0.182 -6.806 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.149 -0.894 -5.893 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.497 1.149 -4.270 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.098 1.846 -5.063 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.246 -0.740 -3.462 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.255 0.670 -3.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.798 -0.839 -4.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.181 0.140 -5.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.900 -1.389 -5.213 1.00 0.00 H new ATOM 406 N SER A 29 4.677 2.612 -8.065 1.00 0.00 N ATOM 407 CA SER A 29 3.386 3.267 -7.891 1.00 0.00 C ATOM 408 C SER A 29 2.614 2.649 -6.726 1.00 0.00 C ATOM 409 O SER A 29 2.850 1.489 -6.381 1.00 0.00 O ATOM 410 CB SER A 29 2.564 3.079 -9.170 1.00 0.00 C ATOM 411 OG SER A 29 3.293 3.436 -10.331 1.00 0.00 O ATOM 0 H SER A 29 4.660 1.884 -8.779 1.00 0.00 H new ATOM 0 HA SER A 29 3.555 4.324 -7.683 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.248 2.039 -9.247 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.659 3.684 -9.111 1.00 0.00 H new ATOM 0 HG SER A 29 2.733 3.300 -11.124 1.00 0.00 H new ATOM 417 N VAL A 30 1.626 3.356 -6.178 1.00 0.00 N ATOM 418 CA VAL A 30 0.640 2.803 -5.257 1.00 0.00 C ATOM 419 C VAL A 30 -0.729 3.312 -5.703 1.00 0.00 C ATOM 420 O VAL A 30 -1.070 4.473 -5.496 1.00 0.00 O ATOM 421 CB VAL A 30 0.973 3.138 -3.783 1.00 0.00 C ATOM 422 CG1 VAL A 30 -0.151 2.706 -2.832 1.00 0.00 C ATOM 423 CG2 VAL A 30 2.231 2.396 -3.306 1.00 0.00 C ATOM 0 H VAL A 30 1.488 4.349 -6.367 1.00 0.00 H new ATOM 0 HA VAL A 30 0.646 1.714 -5.291 1.00 0.00 H new ATOM 0 HB VAL A 30 1.115 4.218 -3.759 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.122 2.959 -1.807 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.073 3.222 -3.100 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.302 1.629 -2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.434 2.655 -2.267 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.072 1.321 -3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.080 2.685 -3.925 1.00 0.00 H new ATOM 433 N VAL A 31 -1.539 2.451 -6.316 1.00 0.00 N ATOM 434 CA VAL A 31 -2.974 2.535 -6.095 1.00 0.00 C ATOM 435 C VAL A 31 -3.292 1.990 -4.732 1.00 0.00 C ATOM 436 O VAL A 31 -3.225 0.780 -4.508 1.00 0.00 O ATOM 437 CB VAL A 31 -3.817 1.901 -7.210 1.00 0.00 C ATOM 438 CG1 VAL A 31 -3.297 0.551 -7.730 1.00 0.00 C ATOM 439 CG2 VAL A 31 -5.304 1.741 -6.842 1.00 0.00 C ATOM 0 H VAL A 31 -1.236 1.711 -6.949 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.259 3.587 -6.132 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.717 2.630 -8.014 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.959 0.184 -8.515 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.292 0.679 -8.133 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.271 -0.168 -6.912 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.838 1.287 -7.676 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.395 1.103 -5.963 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.733 2.720 -6.626 1.00 0.00 H new ATOM 449 N VAL A 32 -3.771 2.885 -3.879 1.00 0.00 N ATOM 450 CA VAL A 32 -4.807 2.520 -2.955 1.00 0.00 C ATOM 451 C VAL A 32 -5.888 3.599 -2.978 1.00 0.00 C ATOM 452 O VAL A 32 -5.647 4.707 -2.499 1.00 0.00 O ATOM 453 CB VAL A 32 -4.169 2.351 -1.550 1.00 0.00 C ATOM 454 CG1 VAL A 32 -5.186 2.300 -0.408 1.00 0.00 C ATOM 455 CG2 VAL A 32 -3.279 1.105 -1.463 1.00 0.00 C ATOM 0 H VAL A 32 -3.457 3.853 -3.816 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.278 1.576 -3.228 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.565 3.250 -1.426 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.662 2.181 0.540 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.761 3.226 -0.391 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.860 1.457 -0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.855 1.030 -0.462 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.875 0.217 -1.673 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.473 1.182 -2.193 1.00 0.00 H new ATOM 465 N VAL A 33 -7.077 3.316 -3.528 1.00 0.00 N ATOM 466 CA VAL A 33 -8.198 4.243 -3.377 1.00 0.00 C ATOM 467 C VAL A 33 -9.548 3.569 -3.566 1.00 0.00 C ATOM 468 O VAL A 33 -9.650 2.566 -4.276 1.00 0.00 O ATOM 469 CB VAL A 33 -8.033 5.446 -4.320 1.00 0.00 C ATOM 470 CG1 VAL A 33 -8.194 5.020 -5.794 1.00 0.00 C ATOM 471 CG2 VAL A 33 -8.996 6.565 -3.894 1.00 0.00 C ATOM 0 H VAL A 33 -7.281 2.475 -4.067 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.181 4.603 -2.348 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.021 5.845 -4.242 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.073 5.890 -6.439 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.438 4.276 -6.042 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -9.186 4.593 -5.943 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.880 7.419 -4.562 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.022 6.201 -3.945 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.770 6.870 -2.872 1.00 0.00 H new ATOM 481 N ALA A 34 -10.602 4.123 -2.959 1.00 0.00 N ATOM 482 CA ALA A 34 -11.944 3.603 -3.121 1.00 0.00 C ATOM 483 C ALA A 34 -12.547 4.115 -4.421 1.00 0.00 C ATOM 484 O ALA A 34 -12.835 5.300 -4.569 1.00 0.00 O ATOM 485 CB ALA A 34 -12.837 4.022 -1.964 1.00 0.00 C ATOM 0 H ALA A 34 -10.540 4.938 -2.348 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.880 2.515 -3.142 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.838 3.618 -2.112 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.426 3.639 -1.030 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.888 5.110 -1.919 1.00 0.00 H new ATOM 491 N ASN A 35 -12.859 3.195 -5.324 1.00 0.00 N ATOM 492 CA ASN A 35 -13.502 3.485 -6.606 1.00 0.00 C ATOM 493 C ASN A 35 -14.954 3.976 -6.526 1.00 0.00 C ATOM 494 O ASN A 35 -15.620 4.082 -7.557 1.00 0.00 O ATOM 495 CB ASN A 35 -13.388 2.243 -7.500 1.00 0.00 C ATOM 496 CG ASN A 35 -12.617 2.557 -8.774 1.00 0.00 C ATOM 497 OD1 ASN A 35 -13.208 2.573 -9.845 1.00 0.00 O ATOM 498 ND2 ASN A 35 -11.321 2.810 -8.688 1.00 0.00 N ATOM 0 H ASN A 35 -12.669 2.202 -5.186 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.968 4.334 -7.033 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -12.887 1.443 -6.955 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -14.384 1.880 -7.754 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.787 3.026 -9.530 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.856 2.789 -7.780 1.00 0.00 H new ATOM 505 N GLY A 36 -15.452 4.281 -5.329 1.00 0.00 N ATOM 506 CA GLY A 36 -16.840 4.683 -5.117 1.00 0.00 C ATOM 507 C GLY A 36 -17.119 5.558 -3.895 1.00 0.00 C ATOM 508 O GLY A 36 -18.148 6.230 -3.873 1.00 0.00 O ATOM 0 H GLY A 36 -14.899 4.256 -4.473 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -17.179 5.218 -6.004 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -17.448 3.782 -5.037 1.00 0.00 H new ATOM 512 N THR A 37 -16.220 5.589 -2.909 1.00 0.00 N ATOM 513 CA THR A 37 -16.327 6.439 -1.729 1.00 0.00 C ATOM 514 C THR A 37 -15.042 7.272 -1.630 1.00 0.00 C ATOM 515 O THR A 37 -14.141 7.117 -2.461 1.00 0.00 O ATOM 516 CB THR A 37 -16.647 5.588 -0.484 1.00 0.00 C ATOM 517 OG1 THR A 37 -17.007 6.418 0.600 1.00 0.00 O ATOM 518 CG2 THR A 37 -15.473 4.716 -0.023 1.00 0.00 C ATOM 0 H THR A 37 -15.380 5.010 -2.912 1.00 0.00 H new ATOM 0 HA THR A 37 -17.159 7.139 -1.803 1.00 0.00 H new ATOM 0 HB THR A 37 -17.468 4.935 -0.782 1.00 0.00 H new ATOM 0 HG1 THR A 37 -16.205 6.655 1.111 1.00 0.00 H new ATOM 0 HG21 THR A 37 -15.768 4.144 0.857 1.00 0.00 H new ATOM 0 HG22 THR A 37 -15.192 4.031 -0.823 1.00 0.00 H new ATOM 0 HG23 THR A 37 -14.623 5.352 0.226 1.00 0.00 H new ATOM 526 N GLN A 38 -14.944 8.153 -0.635 1.00 0.00 N ATOM 527 CA GLN A 38 -13.763 8.963 -0.381 1.00 0.00 C ATOM 528 C GLN A 38 -12.750 8.181 0.442 1.00 0.00 C ATOM 529 O GLN A 38 -13.012 7.082 0.952 1.00 0.00 O ATOM 530 CB GLN A 38 -14.155 10.261 0.343 1.00 0.00 C ATOM 531 CG GLN A 38 -14.686 11.280 -0.661 1.00 0.00 C ATOM 532 CD GLN A 38 -15.061 12.615 -0.028 1.00 0.00 C ATOM 533 OE1 GLN A 38 -14.921 12.819 1.172 1.00 0.00 O ATOM 534 NE2 GLN A 38 -15.570 13.553 -0.808 1.00 0.00 N ATOM 0 H GLN A 38 -15.701 8.324 0.028 1.00 0.00 H new ATOM 0 HA GLN A 38 -13.305 9.221 -1.336 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -14.914 10.051 1.097 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -13.291 10.670 0.866 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -13.931 11.450 -1.429 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -15.561 10.865 -1.161 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -15.685 13.379 -1.806 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -15.848 14.451 -0.411 1.00 0.00 H new ATOM 543 N LEU A 39 -11.585 8.800 0.583 1.00 0.00 N ATOM 544 CA LEU A 39 -10.561 8.352 1.519 1.00 0.00 C ATOM 545 C LEU A 39 -10.287 9.384 2.606 1.00 0.00 C ATOM 546 O LEU A 39 -10.823 10.489 2.558 1.00 0.00 O ATOM 547 CB LEU A 39 -9.282 7.939 0.771 1.00 0.00 C ATOM 548 CG LEU A 39 -8.887 6.496 1.146 1.00 0.00 C ATOM 549 CD1 LEU A 39 -9.180 5.557 -0.007 1.00 0.00 C ATOM 550 CD2 LEU A 39 -7.429 6.398 1.569 1.00 0.00 C ATOM 0 H LEU A 39 -11.323 9.629 0.050 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.942 7.468 2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.442 8.012 -0.305 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.470 8.622 1.020 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.489 6.198 2.005 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.897 4.541 0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.245 5.587 -0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.609 5.867 -0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.193 5.365 1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.789 6.724 0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.258 7.035 2.437 1.00 0.00 H new ATOM 562 N LYS A 40 -9.461 9.006 3.582 1.00 0.00 N ATOM 563 CA LYS A 40 -9.076 9.790 4.743 1.00 0.00 C ATOM 564 C LYS A 40 -7.552 9.737 4.882 1.00 0.00 C ATOM 565 O LYS A 40 -6.961 8.655 4.826 1.00 0.00 O ATOM 566 CB LYS A 40 -9.797 9.231 5.983 1.00 0.00 C ATOM 567 CG LYS A 40 -9.588 10.139 7.200 1.00 0.00 C ATOM 568 CD LYS A 40 -10.177 9.594 8.508 1.00 0.00 C ATOM 569 CE LYS A 40 -9.527 8.261 8.906 1.00 0.00 C ATOM 570 NZ LYS A 40 -9.600 7.976 10.357 1.00 0.00 N ATOM 0 H LYS A 40 -9.019 8.087 3.577 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.368 10.835 4.635 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.863 9.136 5.775 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.425 8.231 6.204 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.519 10.301 7.337 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.034 11.112 6.993 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.032 10.323 9.305 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.252 9.456 8.394 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.013 7.452 8.360 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.481 8.270 8.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.143 7.063 10.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.112 8.729 10.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.596 7.936 10.653 1.00 0.00 H new ATOM 584 N ASP A 41 -6.930 10.905 5.034 1.00 0.00 N ATOM 585 CA ASP A 41 -5.492 11.101 5.221 1.00 0.00 C ATOM 586 C ASP A 41 -5.084 10.607 6.613 1.00 0.00 C ATOM 587 O ASP A 41 -5.884 10.624 7.553 1.00 0.00 O ATOM 588 CB ASP A 41 -5.150 12.587 5.010 1.00 0.00 C ATOM 589 CG ASP A 41 -3.660 12.955 4.931 1.00 0.00 C ATOM 590 OD1 ASP A 41 -2.781 12.147 5.292 1.00 0.00 O ATOM 591 OD2 ASP A 41 -3.377 14.112 4.542 1.00 0.00 O ATOM 0 H ASP A 41 -7.442 11.787 5.030 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.930 10.522 4.489 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.630 12.918 4.089 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.597 13.157 5.825 1.00 0.00 H new ATOM 596 N GLY A 42 -3.831 10.189 6.775 1.00 0.00 N ATOM 597 CA GLY A 42 -3.243 9.844 8.057 1.00 0.00 C ATOM 598 C GLY A 42 -2.642 11.056 8.780 1.00 0.00 C ATOM 599 O GLY A 42 -2.416 10.976 9.988 1.00 0.00 O ATOM 0 H GLY A 42 -3.183 10.080 5.995 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.005 9.390 8.691 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.466 9.095 7.905 1.00 0.00 H new ATOM 603 N ALA A 43 -2.424 12.182 8.091 1.00 0.00 N ATOM 604 CA ALA A 43 -1.901 13.413 8.672 1.00 0.00 C ATOM 605 C ALA A 43 -2.877 14.004 9.695 1.00 0.00 C ATOM 606 O ALA A 43 -2.510 14.212 10.848 1.00 0.00 O ATOM 607 CB ALA A 43 -1.602 14.431 7.563 1.00 0.00 C ATOM 0 H ALA A 43 -2.612 12.259 7.091 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.975 13.176 9.196 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.212 15.347 8.006 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.863 14.016 6.878 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.519 14.654 7.017 1.00 0.00 H new ATOM 613 N THR A 44 -4.107 14.289 9.274 1.00 0.00 N ATOM 614 CA THR A 44 -5.048 15.132 10.014 1.00 0.00 C ATOM 615 C THR A 44 -6.459 14.531 10.043 1.00 0.00 C ATOM 616 O THR A 44 -7.400 15.157 10.544 1.00 0.00 O ATOM 617 CB THR A 44 -5.045 16.524 9.355 1.00 0.00 C ATOM 618 OG1 THR A 44 -5.171 16.378 7.950 1.00 0.00 O ATOM 619 CG2 THR A 44 -3.750 17.280 9.659 1.00 0.00 C ATOM 0 H THR A 44 -4.486 13.936 8.395 1.00 0.00 H new ATOM 0 HA THR A 44 -4.735 15.205 11.055 1.00 0.00 H new ATOM 0 HB THR A 44 -5.883 17.092 9.759 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.012 17.242 7.516 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.779 18.259 9.180 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.647 17.407 10.737 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.900 16.714 9.277 1.00 0.00 H new ATOM 627 N GLY A 45 -6.639 13.336 9.474 1.00 0.00 N ATOM 628 CA GLY A 45 -7.949 12.747 9.264 1.00 0.00 C ATOM 629 C GLY A 45 -8.837 13.598 8.350 1.00 0.00 C ATOM 630 O GLY A 45 -10.051 13.400 8.359 1.00 0.00 O ATOM 0 H GLY A 45 -5.870 12.752 9.146 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -7.832 11.754 8.829 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.444 12.617 10.227 1.00 0.00 H new ATOM 634 N GLU A 46 -8.267 14.535 7.580 1.00 0.00 N ATOM 635 CA GLU A 46 -8.969 15.168 6.470 1.00 0.00 C ATOM 636 C GLU A 46 -9.361 14.089 5.466 1.00 0.00 C ATOM 637 O GLU A 46 -8.735 13.030 5.382 1.00 0.00 O ATOM 638 CB GLU A 46 -8.068 16.193 5.764 1.00 0.00 C ATOM 639 CG GLU A 46 -7.934 17.536 6.497 1.00 0.00 C ATOM 640 CD GLU A 46 -8.730 18.634 5.788 1.00 0.00 C ATOM 641 OE1 GLU A 46 -8.182 19.233 4.833 1.00 0.00 O ATOM 642 OE2 GLU A 46 -9.895 18.887 6.168 1.00 0.00 O ATOM 0 H GLU A 46 -7.313 14.869 7.713 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.849 15.683 6.857 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.075 15.761 5.640 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.462 16.377 4.765 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.288 17.431 7.522 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.883 17.821 6.550 1.00 0.00 H new ATOM 649 N SER A 47 -10.362 14.399 4.660 1.00 0.00 N ATOM 650 CA SER A 47 -10.944 13.516 3.670 1.00 0.00 C ATOM 651 C SER A 47 -10.529 13.972 2.270 1.00 0.00 C ATOM 652 O SER A 47 -10.269 15.159 2.055 1.00 0.00 O ATOM 653 CB SER A 47 -12.462 13.447 3.892 1.00 0.00 C ATOM 654 OG SER A 47 -12.997 14.550 4.622 1.00 0.00 O ATOM 0 H SER A 47 -10.810 15.315 4.681 1.00 0.00 H new ATOM 0 HA SER A 47 -10.571 12.497 3.773 1.00 0.00 H new ATOM 0 HB2 SER A 47 -12.958 13.393 2.923 1.00 0.00 H new ATOM 0 HB3 SER A 47 -12.699 12.525 4.423 1.00 0.00 H new ATOM 0 HG SER A 47 -13.965 14.437 4.722 1.00 0.00 H new ATOM 660 N LEU A 48 -10.431 13.030 1.328 1.00 0.00 N ATOM 661 CA LEU A 48 -9.885 13.240 -0.010 1.00 0.00 C ATOM 662 C LEU A 48 -10.882 12.748 -1.041 1.00 0.00 C ATOM 663 O LEU A 48 -11.556 11.736 -0.820 1.00 0.00 O ATOM 664 CB LEU A 48 -8.590 12.445 -0.255 1.00 0.00 C ATOM 665 CG LEU A 48 -7.389 12.662 0.674 1.00 0.00 C ATOM 666 CD1 LEU A 48 -7.078 14.135 0.951 1.00 0.00 C ATOM 667 CD2 LEU A 48 -7.501 11.863 1.974 1.00 0.00 C ATOM 0 H LEU A 48 -10.740 12.070 1.483 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.679 14.307 -0.094 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.844 11.386 -0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.261 12.660 -1.272 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.536 12.272 0.119 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.217 14.206 1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.856 14.643 0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.940 14.606 1.423 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.625 12.053 2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.399 12.167 2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.558 10.799 1.743 1.00 0.00 H new ATOM 679 N ALA A 49 -10.905 13.415 -2.192 1.00 0.00 N ATOM 680 CA ALA A 49 -11.678 12.985 -3.339 1.00 0.00 C ATOM 681 C ALA A 49 -10.977 11.807 -3.998 1.00 0.00 C ATOM 682 O ALA A 49 -9.816 11.904 -4.389 1.00 0.00 O ATOM 683 CB ALA A 49 -11.838 14.113 -4.353 1.00 0.00 C ATOM 0 H ALA A 49 -10.381 14.276 -2.350 1.00 0.00 H new ATOM 0 HA ALA A 49 -12.671 12.693 -2.997 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -12.423 13.759 -5.202 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -12.351 14.953 -3.885 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -10.855 14.434 -4.698 1.00 0.00 H new ATOM 689 N SER A 50 -11.694 10.706 -4.157 1.00 0.00 N ATOM 690 CA SER A 50 -11.229 9.564 -4.922 1.00 0.00 C ATOM 691 C SER A 50 -11.447 9.794 -6.431 1.00 0.00 C ATOM 692 O SER A 50 -12.297 10.616 -6.798 1.00 0.00 O ATOM 693 CB SER A 50 -12.040 8.365 -4.455 1.00 0.00 C ATOM 694 OG SER A 50 -11.768 8.043 -3.106 1.00 0.00 O ATOM 0 H SER A 50 -12.623 10.581 -3.755 1.00 0.00 H new ATOM 0 HA SER A 50 -10.162 9.405 -4.767 1.00 0.00 H new ATOM 0 HB2 SER A 50 -13.103 8.577 -4.571 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.815 7.506 -5.087 1.00 0.00 H new ATOM 0 HG SER A 50 -12.573 7.671 -2.690 1.00 0.00 H new ATOM 700 N PRO A 51 -10.799 9.010 -7.314 1.00 0.00 N ATOM 701 CA PRO A 51 -9.701 8.099 -7.013 1.00 0.00 C ATOM 702 C PRO A 51 -8.372 8.870 -6.895 1.00 0.00 C ATOM 703 O PRO A 51 -8.244 9.990 -7.384 1.00 0.00 O ATOM 704 CB PRO A 51 -9.695 7.108 -8.178 1.00 0.00 C ATOM 705 CG PRO A 51 -10.086 7.985 -9.356 1.00 0.00 C ATOM 706 CD PRO A 51 -11.067 8.993 -8.746 1.00 0.00 C ATOM 0 HA PRO A 51 -9.822 7.588 -6.058 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -8.715 6.653 -8.319 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.405 6.295 -8.024 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.219 8.482 -9.791 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -10.552 7.403 -10.151 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.927 9.983 -9.180 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.098 8.701 -8.945 1.00 0.00 H new ATOM 714 N VAL A 52 -7.384 8.247 -6.259 1.00 0.00 N ATOM 715 CA VAL A 52 -6.079 8.768 -5.893 1.00 0.00 C ATOM 716 C VAL A 52 -5.111 7.624 -6.181 1.00 0.00 C ATOM 717 O VAL A 52 -5.149 6.598 -5.501 1.00 0.00 O ATOM 718 CB VAL A 52 -6.059 9.157 -4.394 1.00 0.00 C ATOM 719 CG1 VAL A 52 -4.663 9.585 -3.934 1.00 0.00 C ATOM 720 CG2 VAL A 52 -7.043 10.285 -4.053 1.00 0.00 C ATOM 0 H VAL A 52 -7.491 7.277 -5.962 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.815 9.669 -6.447 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.365 8.253 -3.867 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.693 9.849 -2.877 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.963 8.763 -4.082 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.337 10.448 -4.515 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.982 10.512 -2.989 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.790 11.175 -4.629 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.057 9.970 -4.299 1.00 0.00 H new ATOM 730 N ILE A 53 -4.277 7.741 -7.204 1.00 0.00 N ATOM 731 CA ILE A 53 -3.220 6.793 -7.502 1.00 0.00 C ATOM 732 C ILE A 53 -1.909 7.570 -7.411 1.00 0.00 C ATOM 733 O ILE A 53 -1.793 8.664 -7.967 1.00 0.00 O ATOM 734 CB ILE A 53 -3.487 6.126 -8.866 1.00 0.00 C ATOM 735 CG1 ILE A 53 -4.850 5.382 -8.869 1.00 0.00 C ATOM 736 CG2 ILE A 53 -2.348 5.138 -9.181 1.00 0.00 C ATOM 737 CD1 ILE A 53 -6.020 6.135 -9.514 1.00 0.00 C ATOM 0 H ILE A 53 -4.320 8.517 -7.864 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.171 5.963 -6.797 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.526 6.902 -9.631 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.723 4.432 -9.389 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.117 5.148 -7.838 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.533 4.664 -10.145 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.400 5.675 -9.217 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.303 4.375 -8.404 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.920 5.523 -9.460 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.186 7.072 -8.983 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.786 6.346 -10.558 1.00 0.00 H new ATOM 749 N LEU A 54 -0.958 7.028 -6.655 1.00 0.00 N ATOM 750 CA LEU A 54 0.357 7.602 -6.417 1.00 0.00 C ATOM 751 C LEU A 54 1.358 6.979 -7.386 1.00 0.00 C ATOM 752 O LEU A 54 1.255 5.786 -7.693 1.00 0.00 O ATOM 753 CB LEU A 54 0.829 7.288 -4.983 1.00 0.00 C ATOM 754 CG LEU A 54 -0.115 7.667 -3.826 1.00 0.00 C ATOM 755 CD1 LEU A 54 0.650 7.545 -2.506 1.00 0.00 C ATOM 756 CD2 LEU A 54 -0.703 9.075 -3.939 1.00 0.00 C ATOM 0 H LEU A 54 -1.091 6.139 -6.173 1.00 0.00 H new ATOM 0 HA LEU A 54 0.295 8.681 -6.558 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.026 6.218 -4.920 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.779 7.797 -4.822 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.959 6.978 -3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.008 7.811 -1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.996 6.519 -2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.507 8.218 -2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.356 9.266 -3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.105 9.807 -3.948 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.277 9.157 -4.862 1.00 0.00 H new ATOM 768 N SER A 55 2.382 7.745 -7.747 1.00 0.00 N ATOM 769 CA SER A 55 3.597 7.291 -8.408 1.00 0.00 C ATOM 770 C SER A 55 4.798 7.641 -7.524 1.00 0.00 C ATOM 771 O SER A 55 4.628 8.135 -6.407 1.00 0.00 O ATOM 772 CB SER A 55 3.669 7.894 -9.816 1.00 0.00 C ATOM 773 OG SER A 55 2.779 7.193 -10.659 1.00 0.00 O ATOM 0 H SER A 55 2.386 8.751 -7.577 1.00 0.00 H new ATOM 0 HA SER A 55 3.601 6.209 -8.539 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.407 8.952 -9.787 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.686 7.828 -10.203 1.00 0.00 H new ATOM 0 HG SER A 55 2.816 7.572 -11.562 1.00 0.00 H new ATOM 779 N ASP A 56 6.003 7.360 -8.019 1.00 0.00 N ATOM 780 CA ASP A 56 7.281 7.406 -7.309 1.00 0.00 C ATOM 781 C ASP A 56 7.437 8.671 -6.449 1.00 0.00 C ATOM 782 O ASP A 56 7.823 8.594 -5.283 1.00 0.00 O ATOM 783 CB ASP A 56 8.442 7.311 -8.316 1.00 0.00 C ATOM 784 CG ASP A 56 8.692 8.605 -9.101 1.00 0.00 C ATOM 785 OD1 ASP A 56 7.706 9.160 -9.648 1.00 0.00 O ATOM 786 OD2 ASP A 56 9.849 9.073 -9.117 1.00 0.00 O ATOM 0 H ASP A 56 6.120 7.075 -8.991 1.00 0.00 H new ATOM 0 HA ASP A 56 7.302 6.553 -6.631 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.352 7.040 -7.781 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.234 6.505 -9.020 1.00 0.00 H new ATOM 791 N GLU A 57 7.099 9.843 -6.991 1.00 0.00 N ATOM 792 CA GLU A 57 7.323 11.117 -6.320 1.00 0.00 C ATOM 793 C GLU A 57 6.459 11.263 -5.061 1.00 0.00 C ATOM 794 O GLU A 57 6.845 11.959 -4.127 1.00 0.00 O ATOM 795 CB GLU A 57 7.040 12.275 -7.287 1.00 0.00 C ATOM 796 CG GLU A 57 8.185 12.494 -8.287 1.00 0.00 C ATOM 797 CD GLU A 57 7.937 13.709 -9.184 1.00 0.00 C ATOM 798 OE1 GLU A 57 7.812 14.829 -8.639 1.00 0.00 O ATOM 799 OE2 GLU A 57 7.890 13.558 -10.429 1.00 0.00 O ATOM 0 H GLU A 57 6.662 9.931 -7.908 1.00 0.00 H new ATOM 0 HA GLU A 57 8.367 11.146 -6.008 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.118 12.073 -7.832 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.879 13.190 -6.717 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.120 12.629 -7.744 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.301 11.604 -8.906 1.00 0.00 H new ATOM 806 N GLU A 58 5.299 10.610 -5.020 1.00 0.00 N ATOM 807 CA GLU A 58 4.381 10.610 -3.880 1.00 0.00 C ATOM 808 C GLU A 58 4.706 9.473 -2.895 1.00 0.00 C ATOM 809 O GLU A 58 4.083 9.373 -1.835 1.00 0.00 O ATOM 810 CB GLU A 58 2.941 10.475 -4.403 1.00 0.00 C ATOM 811 CG GLU A 58 2.391 11.735 -5.095 1.00 0.00 C ATOM 812 CD GLU A 58 2.028 12.882 -4.147 1.00 0.00 C ATOM 813 OE1 GLU A 58 1.971 12.675 -2.913 1.00 0.00 O ATOM 814 OE2 GLU A 58 1.773 13.999 -4.649 1.00 0.00 O ATOM 0 H GLU A 58 4.961 10.049 -5.802 1.00 0.00 H new ATOM 0 HA GLU A 58 4.492 11.548 -3.336 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.900 9.643 -5.106 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.288 10.220 -3.569 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.133 12.093 -5.809 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.505 11.461 -5.667 1.00 0.00 H new ATOM 821 N LEU A 59 5.669 8.601 -3.214 1.00 0.00 N ATOM 822 CA LEU A 59 6.089 7.490 -2.358 1.00 0.00 C ATOM 823 C LEU A 59 7.222 7.885 -1.408 1.00 0.00 C ATOM 824 O LEU A 59 7.635 7.072 -0.586 1.00 0.00 O ATOM 825 CB LEU A 59 6.471 6.265 -3.221 1.00 0.00 C ATOM 826 CG LEU A 59 5.400 5.164 -3.270 1.00 0.00 C ATOM 827 CD1 LEU A 59 5.185 4.522 -1.890 1.00 0.00 C ATOM 828 CD2 LEU A 59 4.078 5.682 -3.850 1.00 0.00 C ATOM 0 H LEU A 59 6.187 8.650 -4.091 1.00 0.00 H new ATOM 0 HA LEU A 59 5.243 7.218 -1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.675 6.602 -4.237 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.396 5.838 -2.834 1.00 0.00 H new ATOM 0 HG LEU A 59 5.771 4.389 -3.941 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.421 3.748 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.119 4.078 -1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.862 5.284 -1.180 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.347 4.874 -3.868 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.703 6.497 -3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.243 6.044 -4.865 1.00 0.00 H new ATOM 840 N ALA A 60 7.712 9.122 -1.465 1.00 0.00 N ATOM 841 CA ALA A 60 8.898 9.595 -0.757 1.00 0.00 C ATOM 842 C ALA A 60 8.649 9.912 0.736 1.00 0.00 C ATOM 843 O ALA A 60 9.242 10.849 1.279 1.00 0.00 O ATOM 844 CB ALA A 60 9.427 10.807 -1.528 1.00 0.00 C ATOM 0 H ALA A 60 7.275 9.851 -2.029 1.00 0.00 H new ATOM 0 HA ALA A 60 9.641 8.798 -0.730 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.317 11.194 -1.032 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.680 10.509 -2.546 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.661 11.582 -1.557 1.00 0.00 H new ATOM 850 N VAL A 61 7.792 9.147 1.417 1.00 0.00 N ATOM 851 CA VAL A 61 7.284 9.433 2.764 1.00 0.00 C ATOM 852 C VAL A 61 7.627 8.297 3.740 1.00 0.00 C ATOM 853 O VAL A 61 7.611 7.131 3.361 1.00 0.00 O ATOM 854 CB VAL A 61 5.763 9.689 2.688 1.00 0.00 C ATOM 855 CG1 VAL A 61 5.436 10.924 1.845 1.00 0.00 C ATOM 856 CG2 VAL A 61 4.979 8.521 2.073 1.00 0.00 C ATOM 0 H VAL A 61 7.418 8.279 1.033 1.00 0.00 H new ATOM 0 HA VAL A 61 7.769 10.329 3.151 1.00 0.00 H new ATOM 0 HB VAL A 61 5.463 9.827 3.727 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.356 11.069 1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.909 11.801 2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 61 5.810 10.782 0.831 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.917 8.767 2.050 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.332 8.341 1.058 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.130 7.625 2.674 1.00 0.00 H new ATOM 866 N GLU A 62 7.917 8.601 5.008 1.00 0.00 N ATOM 867 CA GLU A 62 8.399 7.602 5.973 1.00 0.00 C ATOM 868 C GLU A 62 7.311 6.564 6.314 1.00 0.00 C ATOM 869 O GLU A 62 7.523 5.357 6.202 1.00 0.00 O ATOM 870 CB GLU A 62 8.893 8.297 7.257 1.00 0.00 C ATOM 871 CG GLU A 62 10.119 9.220 7.087 1.00 0.00 C ATOM 872 CD GLU A 62 11.507 8.636 7.391 1.00 0.00 C ATOM 873 OE1 GLU A 62 11.628 7.505 7.913 1.00 0.00 O ATOM 874 OE2 GLU A 62 12.521 9.311 7.099 1.00 0.00 O ATOM 0 H GLU A 62 7.826 9.540 5.396 1.00 0.00 H new ATOM 0 HA GLU A 62 9.229 7.069 5.510 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.073 8.885 7.669 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.137 7.531 7.993 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.126 9.580 6.058 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.974 10.089 7.728 1.00 0.00 H new ATOM 881 N LYS A 63 6.142 7.014 6.777 1.00 0.00 N ATOM 882 CA LYS A 63 5.071 6.133 7.262 1.00 0.00 C ATOM 883 C LYS A 63 3.726 6.736 7.004 1.00 0.00 C ATOM 884 O LYS A 63 3.592 7.956 7.135 1.00 0.00 O ATOM 885 CB LYS A 63 5.217 5.890 8.780 1.00 0.00 C ATOM 886 CG LYS A 63 5.410 4.425 9.183 1.00 0.00 C ATOM 887 CD LYS A 63 6.887 4.041 9.359 1.00 0.00 C ATOM 888 CE LYS A 63 7.358 4.182 10.813 1.00 0.00 C ATOM 889 NZ LYS A 63 7.207 5.551 11.362 1.00 0.00 N ATOM 0 H LYS A 63 5.908 8.006 6.827 1.00 0.00 H new ATOM 0 HA LYS A 63 5.155 5.188 6.725 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.066 6.467 9.146 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.330 6.276 9.282 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.878 4.237 10.116 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.961 3.783 8.425 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.034 3.012 9.030 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.503 4.672 8.718 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.795 3.487 11.436 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.406 3.889 10.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.545 5.570 12.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.765 6.217 10.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.205 5.827 11.335 1.00 0.00 H new ATOM 903 N VAL A 64 2.753 5.896 6.676 1.00 0.00 N ATOM 904 CA VAL A 64 1.466 6.402 6.285 1.00 0.00 C ATOM 905 C VAL A 64 0.425 5.349 6.668 1.00 0.00 C ATOM 906 O VAL A 64 0.658 4.146 6.506 1.00 0.00 O ATOM 907 CB VAL A 64 1.458 6.660 4.763 1.00 0.00 C ATOM 908 CG1 VAL A 64 0.445 7.763 4.545 1.00 0.00 C ATOM 909 CG2 VAL A 64 2.766 7.079 4.075 1.00 0.00 C ATOM 0 H VAL A 64 2.838 4.880 6.676 1.00 0.00 H new ATOM 0 HA VAL A 64 1.240 7.344 6.785 1.00 0.00 H new ATOM 0 HB VAL A 64 1.241 5.694 4.307 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.387 7.999 3.482 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.532 7.434 4.898 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.750 8.652 5.098 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.587 7.220 3.009 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.123 8.013 4.510 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.517 6.302 4.218 1.00 0.00 H new ATOM 919 N THR A 65 -0.728 5.802 7.155 1.00 0.00 N ATOM 920 CA THR A 65 -1.835 4.939 7.537 1.00 0.00 C ATOM 921 C THR A 65 -3.117 5.586 7.019 1.00 0.00 C ATOM 922 O THR A 65 -3.803 6.306 7.753 1.00 0.00 O ATOM 923 CB THR A 65 -1.852 4.755 9.062 1.00 0.00 C ATOM 924 OG1 THR A 65 -0.548 4.554 9.578 1.00 0.00 O ATOM 925 CG2 THR A 65 -2.777 3.620 9.488 1.00 0.00 C ATOM 0 H THR A 65 -0.919 6.794 7.296 1.00 0.00 H new ATOM 0 HA THR A 65 -1.735 3.944 7.104 1.00 0.00 H new ATOM 0 HB THR A 65 -2.244 5.680 9.484 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.595 4.442 10.550 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.759 3.524 10.574 1.00 0.00 H new ATOM 0 HG22 THR A 65 -3.794 3.836 9.159 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.440 2.687 9.036 1.00 0.00 H new ATOM 933 N LEU A 66 -3.405 5.419 5.731 1.00 0.00 N ATOM 934 CA LEU A 66 -4.627 5.904 5.106 1.00 0.00 C ATOM 935 C LEU A 66 -5.773 4.897 5.294 1.00 0.00 C ATOM 936 O LEU A 66 -5.521 3.709 5.520 1.00 0.00 O ATOM 937 CB LEU A 66 -4.396 6.150 3.615 1.00 0.00 C ATOM 938 CG LEU A 66 -3.195 7.037 3.249 1.00 0.00 C ATOM 939 CD1 LEU A 66 -3.006 8.260 4.153 1.00 0.00 C ATOM 940 CD2 LEU A 66 -1.932 6.233 2.945 1.00 0.00 C ATOM 0 H LEU A 66 -2.784 4.934 5.083 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.905 6.842 5.586 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.270 5.185 3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.296 6.604 3.200 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.451 7.500 2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.136 8.827 3.821 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.893 8.892 4.100 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.854 7.932 5.181 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.119 6.914 2.693 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.655 5.645 3.820 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.119 5.565 2.104 1.00 0.00 H new ATOM 952 N SER A 67 -7.031 5.327 5.147 1.00 0.00 N ATOM 953 CA SER A 67 -8.210 4.478 5.327 1.00 0.00 C ATOM 954 C SER A 67 -9.417 5.138 4.650 1.00 0.00 C ATOM 955 O SER A 67 -9.407 6.335 4.380 1.00 0.00 O ATOM 956 CB SER A 67 -8.440 4.287 6.833 1.00 0.00 C ATOM 957 OG SER A 67 -9.544 3.462 7.132 1.00 0.00 O ATOM 0 H SER A 67 -7.260 6.289 4.896 1.00 0.00 H new ATOM 0 HA SER A 67 -8.065 3.500 4.868 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.543 3.856 7.278 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.589 5.262 7.297 1.00 0.00 H new ATOM 0 HG SER A 67 -9.515 2.660 6.570 1.00 0.00 H new ATOM 963 N THR A 68 -10.458 4.364 4.352 1.00 0.00 N ATOM 964 CA THR A 68 -11.658 4.803 3.636 1.00 0.00 C ATOM 965 C THR A 68 -12.714 5.413 4.554 1.00 0.00 C ATOM 966 O THR A 68 -12.679 5.190 5.767 1.00 0.00 O ATOM 967 CB THR A 68 -12.244 3.587 2.922 1.00 0.00 C ATOM 968 OG1 THR A 68 -12.255 2.433 3.761 1.00 0.00 O ATOM 969 CG2 THR A 68 -11.450 3.250 1.665 1.00 0.00 C ATOM 0 H THR A 68 -10.492 3.378 4.611 1.00 0.00 H new ATOM 0 HA THR A 68 -11.370 5.587 2.935 1.00 0.00 H new ATOM 0 HB THR A 68 -13.267 3.854 2.658 1.00 0.00 H new ATOM 0 HG1 THR A 68 -13.037 2.465 4.351 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.891 2.380 1.178 1.00 0.00 H new ATOM 0 HG22 THR A 68 -11.473 4.099 0.982 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.417 3.030 1.935 1.00 0.00 H new ATOM 977 N THR A 69 -13.705 6.095 3.969 1.00 0.00 N ATOM 978 CA THR A 69 -14.821 6.650 4.728 1.00 0.00 C ATOM 979 C THR A 69 -16.123 5.830 4.573 1.00 0.00 C ATOM 980 O THR A 69 -16.831 5.669 5.570 1.00 0.00 O ATOM 981 CB THR A 69 -14.946 8.156 4.419 1.00 0.00 C ATOM 982 OG1 THR A 69 -15.153 8.400 3.047 1.00 0.00 O ATOM 983 CG2 THR A 69 -13.662 8.911 4.795 1.00 0.00 C ATOM 0 H THR A 69 -13.753 6.274 2.966 1.00 0.00 H new ATOM 0 HA THR A 69 -14.615 6.564 5.795 1.00 0.00 H new ATOM 0 HB THR A 69 -15.798 8.501 5.004 1.00 0.00 H new ATOM 0 HG1 THR A 69 -15.681 9.218 2.936 1.00 0.00 H new ATOM 0 HG21 THR A 69 -13.782 9.970 4.565 1.00 0.00 H new ATOM 0 HG22 THR A 69 -13.468 8.791 5.861 1.00 0.00 H new ATOM 0 HG23 THR A 69 -12.824 8.509 4.226 1.00 0.00 H new ATOM 991 N GLY A 70 -16.428 5.255 3.398 1.00 0.00 N ATOM 992 CA GLY A 70 -17.705 4.566 3.116 1.00 0.00 C ATOM 993 C GLY A 70 -17.528 3.086 2.762 1.00 0.00 C ATOM 994 O GLY A 70 -17.257 2.292 3.664 1.00 0.00 O ATOM 0 H GLY A 70 -15.788 5.254 2.604 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.355 4.649 3.987 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.209 5.072 2.293 1.00 0.00 H new ATOM 998 N LYS A 71 -17.660 2.681 1.485 1.00 0.00 N ATOM 999 CA LYS A 71 -17.256 1.350 1.012 1.00 0.00 C ATOM 1000 C LYS A 71 -16.465 1.431 -0.287 1.00 0.00 C ATOM 1001 O LYS A 71 -16.964 1.910 -1.302 1.00 0.00 O ATOM 1002 CB LYS A 71 -18.449 0.402 0.815 1.00 0.00 C ATOM 1003 CG LYS A 71 -19.169 -0.078 2.082 1.00 0.00 C ATOM 1004 CD LYS A 71 -18.269 -0.843 3.064 1.00 0.00 C ATOM 1005 CE LYS A 71 -18.454 -0.406 4.517 1.00 0.00 C ATOM 1006 NZ LYS A 71 -19.368 -1.278 5.261 1.00 0.00 N ATOM 0 H LYS A 71 -18.052 3.272 0.752 1.00 0.00 H new ATOM 0 HA LYS A 71 -16.621 0.942 1.798 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -19.179 0.902 0.179 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -18.099 -0.475 0.270 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -19.595 0.785 2.594 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -20.001 -0.720 1.793 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -18.478 -1.910 2.983 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -17.227 -0.700 2.778 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -17.484 -0.395 5.014 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -18.835 0.615 4.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -19.456 -0.935 6.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -20.303 -1.270 4.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -18.994 -2.248 5.267 1.00 0.00 H new ATOM 1020 N ALA A 72 -15.233 0.934 -0.278 1.00 0.00 N ATOM 1021 CA ALA A 72 -14.369 0.827 -1.429 1.00 0.00 C ATOM 1022 C ALA A 72 -14.891 -0.265 -2.333 1.00 0.00 C ATOM 1023 O ALA A 72 -15.061 -1.395 -1.874 1.00 0.00 O ATOM 1024 CB ALA A 72 -12.945 0.465 -1.015 1.00 0.00 C ATOM 0 H ALA A 72 -14.798 0.581 0.574 1.00 0.00 H new ATOM 0 HA ALA A 72 -14.357 1.790 -1.940 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.316 0.391 -1.902 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -12.551 1.237 -0.354 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.950 -0.492 -0.493 1.00 0.00 H new ATOM 1030 N ILE A 73 -15.088 0.070 -3.602 1.00 0.00 N ATOM 1031 CA ILE A 73 -15.502 -0.892 -4.606 1.00 0.00 C ATOM 1032 C ILE A 73 -14.347 -1.857 -4.894 1.00 0.00 C ATOM 1033 O ILE A 73 -14.504 -3.077 -4.836 1.00 0.00 O ATOM 1034 CB ILE A 73 -15.968 -0.165 -5.890 1.00 0.00 C ATOM 1035 CG1 ILE A 73 -16.973 0.957 -5.556 1.00 0.00 C ATOM 1036 CG2 ILE A 73 -16.528 -1.205 -6.867 1.00 0.00 C ATOM 1037 CD1 ILE A 73 -17.739 1.537 -6.753 1.00 0.00 C ATOM 0 H ILE A 73 -14.964 1.017 -3.960 1.00 0.00 H new ATOM 0 HA ILE A 73 -16.348 -1.469 -4.233 1.00 0.00 H new ATOM 0 HB ILE A 73 -15.125 0.331 -6.372 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -17.696 0.571 -4.837 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -16.435 1.768 -5.064 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -16.861 -0.707 -7.778 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -15.751 -1.929 -7.113 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -17.371 -1.720 -6.406 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -18.417 2.317 -6.407 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -17.032 1.961 -7.467 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -18.312 0.746 -7.236 1.00 0.00 H new ATOM 1049 N GLU A 74 -13.184 -1.284 -5.189 1.00 0.00 N ATOM 1050 CA GLU A 74 -11.972 -1.913 -5.694 1.00 0.00 C ATOM 1051 C GLU A 74 -10.875 -1.577 -4.674 1.00 0.00 C ATOM 1052 O GLU A 74 -10.983 -0.541 -4.004 1.00 0.00 O ATOM 1053 CB GLU A 74 -11.599 -1.271 -7.047 1.00 0.00 C ATOM 1054 CG GLU A 74 -12.709 -1.042 -8.093 1.00 0.00 C ATOM 1055 CD GLU A 74 -13.137 -2.207 -8.965 1.00 0.00 C ATOM 1056 OE1 GLU A 74 -12.505 -3.283 -8.953 1.00 0.00 O ATOM 1057 OE2 GLU A 74 -14.112 -2.009 -9.730 1.00 0.00 O ATOM 0 H GLU A 74 -13.057 -0.279 -5.069 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.097 -2.987 -5.830 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.138 -0.305 -6.838 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.834 -1.896 -7.509 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -13.592 -0.682 -7.565 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -12.382 -0.238 -8.752 1.00 0.00 H new ATOM 1064 N PHE A 75 -9.822 -2.387 -4.552 1.00 0.00 N ATOM 1065 CA PHE A 75 -8.681 -2.147 -3.668 1.00 0.00 C ATOM 1066 C PHE A 75 -7.546 -3.102 -4.064 1.00 0.00 C ATOM 1067 O PHE A 75 -7.843 -4.207 -4.514 1.00 0.00 O ATOM 1068 CB PHE A 75 -9.139 -2.410 -2.223 1.00 0.00 C ATOM 1069 CG PHE A 75 -8.060 -2.371 -1.166 1.00 0.00 C ATOM 1070 CD1 PHE A 75 -7.034 -1.404 -1.195 1.00 0.00 C ATOM 1071 CD2 PHE A 75 -8.093 -3.322 -0.134 1.00 0.00 C ATOM 1072 CE1 PHE A 75 -6.012 -1.440 -0.235 1.00 0.00 C ATOM 1073 CE2 PHE A 75 -7.100 -3.316 0.852 1.00 0.00 C ATOM 1074 CZ PHE A 75 -6.049 -2.389 0.794 1.00 0.00 C ATOM 0 H PHE A 75 -9.738 -3.254 -5.082 1.00 0.00 H new ATOM 0 HA PHE A 75 -8.319 -1.122 -3.751 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.899 -1.673 -1.965 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.619 -3.388 -2.188 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -7.035 -0.637 -1.955 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.884 -4.057 -0.101 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -5.196 -0.735 -0.290 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.143 -4.029 1.662 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.270 -2.407 1.542 1.00 0.00 H new ATOM 1084 N ALA A 76 -6.269 -2.727 -3.901 1.00 0.00 N ATOM 1085 CA ALA A 76 -5.132 -3.586 -4.233 1.00 0.00 C ATOM 1086 C ALA A 76 -4.005 -3.462 -3.207 1.00 0.00 C ATOM 1087 O ALA A 76 -3.839 -2.406 -2.597 1.00 0.00 O ATOM 1088 CB ALA A 76 -4.607 -3.230 -5.626 1.00 0.00 C ATOM 0 H ALA A 76 -5.999 -1.815 -3.533 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.479 -4.619 -4.219 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.760 -3.871 -5.871 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.398 -3.377 -6.361 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.288 -2.188 -5.639 1.00 0.00 H new ATOM 1094 N VAL A 77 -3.195 -4.518 -3.086 1.00 0.00 N ATOM 1095 CA VAL A 77 -2.131 -4.731 -2.108 1.00 0.00 C ATOM 1096 C VAL A 77 -1.041 -5.557 -2.816 1.00 0.00 C ATOM 1097 O VAL A 77 -0.823 -6.730 -2.498 1.00 0.00 O ATOM 1098 CB VAL A 77 -2.689 -5.462 -0.855 1.00 0.00 C ATOM 1099 CG1 VAL A 77 -1.629 -5.605 0.257 1.00 0.00 C ATOM 1100 CG2 VAL A 77 -3.926 -4.777 -0.249 1.00 0.00 C ATOM 0 H VAL A 77 -3.276 -5.310 -3.724 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.715 -3.788 -1.754 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.978 -6.446 -1.224 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.066 -6.122 1.112 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.782 -6.178 -0.120 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.290 -4.616 0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.263 -5.339 0.622 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.669 -3.762 0.052 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.724 -4.744 -0.991 1.00 0.00 H new ATOM 1110 N SER A 78 -0.370 -4.985 -3.819 1.00 0.00 N ATOM 1111 CA SER A 78 0.665 -5.707 -4.555 1.00 0.00 C ATOM 1112 C SER A 78 2.065 -5.216 -4.196 1.00 0.00 C ATOM 1113 O SER A 78 2.233 -4.095 -3.703 1.00 0.00 O ATOM 1114 CB SER A 78 0.380 -5.632 -6.050 1.00 0.00 C ATOM 1115 OG SER A 78 0.495 -4.324 -6.582 1.00 0.00 O ATOM 0 H SER A 78 -0.525 -4.028 -4.137 1.00 0.00 H new ATOM 0 HA SER A 78 0.639 -6.756 -4.261 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.069 -6.292 -6.577 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.626 -6.006 -6.239 1.00 0.00 H new ATOM 0 HG SER A 78 0.302 -4.343 -7.543 1.00 0.00 H new ATOM 1121 N GLY A 79 3.067 -6.044 -4.486 1.00 0.00 N ATOM 1122 CA GLY A 79 4.482 -5.742 -4.329 1.00 0.00 C ATOM 1123 C GLY A 79 5.094 -5.414 -5.687 1.00 0.00 C ATOM 1124 O GLY A 79 4.405 -4.926 -6.585 1.00 0.00 O ATOM 0 H GLY A 79 2.904 -6.982 -4.852 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.610 -4.900 -3.649 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.998 -6.593 -3.883 1.00 0.00 H new ATOM 1128 N GLY A 80 6.391 -5.672 -5.825 1.00 0.00 N ATOM 1129 CA GLY A 80 7.177 -5.399 -7.021 1.00 0.00 C ATOM 1130 C GLY A 80 7.805 -4.015 -6.913 1.00 0.00 C ATOM 1131 O GLY A 80 7.321 -3.171 -6.152 1.00 0.00 O ATOM 0 H GLY A 80 6.943 -6.093 -5.078 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.954 -6.154 -7.138 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.543 -5.454 -7.906 1.00 0.00 H new ATOM 1135 N VAL A 81 8.904 -3.777 -7.626 1.00 0.00 N ATOM 1136 CA VAL A 81 9.587 -2.490 -7.616 1.00 0.00 C ATOM 1137 C VAL A 81 10.440 -2.374 -8.875 1.00 0.00 C ATOM 1138 O VAL A 81 10.608 -3.366 -9.591 1.00 0.00 O ATOM 1139 CB VAL A 81 10.381 -2.358 -6.293 1.00 0.00 C ATOM 1140 CG1 VAL A 81 11.779 -2.983 -6.327 1.00 0.00 C ATOM 1141 CG2 VAL A 81 10.429 -0.908 -5.832 1.00 0.00 C ATOM 0 H VAL A 81 9.345 -4.474 -8.227 1.00 0.00 H new ATOM 0 HA VAL A 81 8.888 -1.654 -7.641 1.00 0.00 H new ATOM 0 HB VAL A 81 9.829 -2.945 -5.559 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.263 -2.844 -5.360 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.696 -4.048 -6.542 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.374 -2.502 -7.103 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.992 -0.841 -4.901 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.915 -0.300 -6.595 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.414 -0.544 -5.670 1.00 0.00 H new ATOM 1295 N MET A 93 16.779 -1.257 3.418 1.00 0.00 N ATOM 1296 CA MET A 93 15.466 -0.694 3.680 1.00 0.00 C ATOM 1297 C MET A 93 14.658 -1.723 4.450 1.00 0.00 C ATOM 1298 O MET A 93 15.007 -2.913 4.487 1.00 0.00 O ATOM 1299 CB MET A 93 14.794 -0.285 2.352 1.00 0.00 C ATOM 1300 CG MET A 93 14.419 -1.509 1.495 1.00 0.00 C ATOM 1301 SD MET A 93 13.800 -1.196 -0.178 1.00 0.00 S ATOM 1302 CE MET A 93 12.393 -0.108 0.156 1.00 0.00 C ATOM 0 HA MET A 93 15.538 0.211 4.283 1.00 0.00 H new ATOM 0 HB2 MET A 93 13.898 0.298 2.564 1.00 0.00 H new ATOM 0 HB3 MET A 93 15.468 0.360 1.788 1.00 0.00 H new ATOM 0 HG2 MET A 93 15.299 -2.147 1.415 1.00 0.00 H new ATOM 0 HG3 MET A 93 13.661 -2.078 2.034 1.00 0.00 H new ATOM 0 HE1 MET A 93 11.541 -0.418 -0.449 1.00 0.00 H new ATOM 0 HE2 MET A 93 12.129 -0.168 1.212 1.00 0.00 H new ATOM 0 HE3 MET A 93 12.660 0.919 -0.093 1.00 0.00 H new ATOM 1312 N GLN A 94 13.553 -1.276 5.036 1.00 0.00 N ATOM 1313 CA GLN A 94 12.584 -2.146 5.664 1.00 0.00 C ATOM 1314 C GLN A 94 11.211 -1.678 5.220 1.00 0.00 C ATOM 1315 O GLN A 94 10.902 -0.494 5.342 1.00 0.00 O ATOM 1316 CB GLN A 94 12.744 -2.127 7.191 1.00 0.00 C ATOM 1317 CG GLN A 94 12.055 -3.372 7.741 1.00 0.00 C ATOM 1318 CD GLN A 94 12.054 -3.473 9.262 1.00 0.00 C ATOM 1319 OE1 GLN A 94 13.017 -3.109 9.923 1.00 0.00 O ATOM 1320 NE2 GLN A 94 11.001 -4.017 9.847 1.00 0.00 N ATOM 0 H GLN A 94 13.308 -0.287 5.085 1.00 0.00 H new ATOM 0 HA GLN A 94 12.731 -3.183 5.363 1.00 0.00 H new ATOM 0 HB2 GLN A 94 13.799 -2.120 7.466 1.00 0.00 H new ATOM 0 HB3 GLN A 94 12.299 -1.225 7.612 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.024 -3.387 7.388 1.00 0.00 H new ATOM 0 HG3 GLN A 94 12.546 -4.255 7.331 1.00 0.00 H new ATOM 0 HE21 GLN A 94 10.204 -4.317 9.286 1.00 0.00 H new ATOM 0 HE22 GLN A 94 10.986 -4.137 10.860 1.00 0.00 H new ATOM 1329 N TRP A 95 10.410 -2.599 4.697 1.00 0.00 N ATOM 1330 CA TRP A 95 9.084 -2.328 4.167 1.00 0.00 C ATOM 1331 C TRP A 95 8.127 -3.306 4.827 1.00 0.00 C ATOM 1332 O TRP A 95 8.012 -4.453 4.389 1.00 0.00 O ATOM 1333 CB TRP A 95 9.092 -2.418 2.630 1.00 0.00 C ATOM 1334 CG TRP A 95 8.910 -1.121 1.922 1.00 0.00 C ATOM 1335 CD1 TRP A 95 9.579 0.022 2.188 1.00 0.00 C ATOM 1336 CD2 TRP A 95 7.952 -0.796 0.869 1.00 0.00 C ATOM 1337 NE1 TRP A 95 9.100 1.020 1.373 1.00 0.00 N ATOM 1338 CE2 TRP A 95 8.040 0.598 0.610 1.00 0.00 C ATOM 1339 CE3 TRP A 95 6.993 -1.521 0.129 1.00 0.00 C ATOM 1340 CZ2 TRP A 95 7.161 1.259 -0.253 1.00 0.00 C ATOM 1341 CZ3 TRP A 95 6.137 -0.877 -0.784 1.00 0.00 C ATOM 1342 CH2 TRP A 95 6.198 0.520 -0.949 1.00 0.00 C ATOM 0 H TRP A 95 10.675 -3.582 4.629 1.00 0.00 H new ATOM 0 HA TRP A 95 8.756 -1.314 4.394 1.00 0.00 H new ATOM 0 HB2 TRP A 95 10.037 -2.859 2.312 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.301 -3.100 2.317 1.00 0.00 H new ATOM 0 HD1 TRP A 95 10.363 0.134 2.922 1.00 0.00 H new ATOM 0 HE1 TRP A 95 9.487 1.963 1.339 1.00 0.00 H new ATOM 0 HE3 TRP A 95 6.915 -2.589 0.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.225 2.329 -0.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 5.431 -1.456 -1.360 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.505 1.019 -1.610 1.00 0.00 H new ATOM 1353 N VAL A 96 7.485 -2.891 5.913 1.00 0.00 N ATOM 1354 CA VAL A 96 6.377 -3.655 6.465 1.00 0.00 C ATOM 1355 C VAL A 96 5.110 -3.069 5.857 1.00 0.00 C ATOM 1356 O VAL A 96 5.012 -1.869 5.577 1.00 0.00 O ATOM 1357 CB VAL A 96 6.411 -3.682 8.007 1.00 0.00 C ATOM 1358 CG1 VAL A 96 5.271 -4.524 8.600 1.00 0.00 C ATOM 1359 CG2 VAL A 96 7.737 -4.301 8.470 1.00 0.00 C ATOM 0 H VAL A 96 7.711 -2.037 6.424 1.00 0.00 H new ATOM 0 HA VAL A 96 6.434 -4.712 6.204 1.00 0.00 H new ATOM 0 HB VAL A 96 6.301 -2.653 8.351 1.00 0.00 H new ATOM 0 HG11 VAL A 96 5.338 -4.512 9.688 1.00 0.00 H new ATOM 0 HG12 VAL A 96 4.312 -4.108 8.291 1.00 0.00 H new ATOM 0 HG13 VAL A 96 5.353 -5.550 8.243 1.00 0.00 H new ATOM 0 HG21 VAL A 96 7.767 -4.323 9.559 1.00 0.00 H new ATOM 0 HG22 VAL A 96 7.819 -5.317 8.084 1.00 0.00 H new ATOM 0 HG23 VAL A 96 8.568 -3.703 8.096 1.00 0.00 H new ATOM 1369 N VAL A 97 4.163 -3.953 5.589 1.00 0.00 N ATOM 1370 CA VAL A 97 2.866 -3.681 5.049 1.00 0.00 C ATOM 1371 C VAL A 97 1.907 -4.482 5.924 1.00 0.00 C ATOM 1372 O VAL A 97 2.192 -5.643 6.226 1.00 0.00 O ATOM 1373 CB VAL A 97 2.854 -4.121 3.572 1.00 0.00 C ATOM 1374 CG1 VAL A 97 3.482 -3.050 2.670 1.00 0.00 C ATOM 1375 CG2 VAL A 97 3.568 -5.453 3.273 1.00 0.00 C ATOM 0 H VAL A 97 4.304 -4.949 5.760 1.00 0.00 H new ATOM 0 HA VAL A 97 2.582 -2.629 5.057 1.00 0.00 H new ATOM 0 HB VAL A 97 1.794 -4.264 3.360 1.00 0.00 H new ATOM 0 HG11 VAL A 97 3.460 -3.388 1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.918 -2.122 2.761 1.00 0.00 H new ATOM 0 HG13 VAL A 97 4.515 -2.879 2.973 1.00 0.00 H new ATOM 0 HG21 VAL A 97 3.501 -5.670 2.207 1.00 0.00 H new ATOM 0 HG22 VAL A 97 4.616 -5.377 3.563 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.092 -6.255 3.837 1.00 0.00 H new ATOM 1385 N THR A 98 0.794 -3.882 6.340 1.00 0.00 N ATOM 1386 CA THR A 98 -0.315 -4.571 6.989 1.00 0.00 C ATOM 1387 C THR A 98 -1.595 -4.063 6.328 1.00 0.00 C ATOM 1388 O THR A 98 -1.695 -2.873 6.013 1.00 0.00 O ATOM 1389 CB THR A 98 -0.294 -4.307 8.509 1.00 0.00 C ATOM 1390 OG1 THR A 98 0.928 -4.736 9.089 1.00 0.00 O ATOM 1391 CG2 THR A 98 -1.402 -5.056 9.253 1.00 0.00 C ATOM 0 H THR A 98 0.636 -2.880 6.232 1.00 0.00 H new ATOM 0 HA THR A 98 -0.244 -5.652 6.870 1.00 0.00 H new ATOM 0 HB THR A 98 -0.432 -3.231 8.610 1.00 0.00 H new ATOM 0 HG1 THR A 98 0.914 -4.555 10.052 1.00 0.00 H new ATOM 0 HG21 THR A 98 -1.340 -4.834 10.318 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.373 -4.740 8.873 1.00 0.00 H new ATOM 0 HG23 THR A 98 -1.283 -6.128 9.099 1.00 0.00 H new ATOM 1399 N VAL A 99 -2.560 -4.954 6.099 1.00 0.00 N ATOM 1400 CA VAL A 99 -3.883 -4.616 5.614 1.00 0.00 C ATOM 1401 C VAL A 99 -4.945 -5.139 6.581 1.00 0.00 C ATOM 1402 O VAL A 99 -4.946 -6.313 6.979 1.00 0.00 O ATOM 1403 CB VAL A 99 -4.108 -5.212 4.223 1.00 0.00 C ATOM 1404 CG1 VAL A 99 -5.264 -4.490 3.541 1.00 0.00 C ATOM 1405 CG2 VAL A 99 -2.909 -5.145 3.273 1.00 0.00 C ATOM 0 H VAL A 99 -2.432 -5.954 6.252 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.963 -3.531 5.549 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.308 -6.268 4.408 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -5.424 -4.915 2.550 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.169 -4.608 4.137 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.027 -3.430 3.448 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.177 -5.594 2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.625 -4.104 3.118 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.070 -5.689 3.707 1.00 0.00 H new ATOM 1415 N TYR A 100 -5.902 -4.268 6.870 1.00 0.00 N ATOM 1416 CA TYR A 100 -7.047 -4.512 7.720 1.00 0.00 C ATOM 1417 C TYR A 100 -8.316 -4.616 6.870 1.00 0.00 C ATOM 1418 O TYR A 100 -8.264 -4.578 5.639 1.00 0.00 O ATOM 1419 CB TYR A 100 -7.104 -3.401 8.774 1.00 0.00 C ATOM 1420 CG TYR A 100 -5.855 -3.320 9.636 1.00 0.00 C ATOM 1421 CD1 TYR A 100 -5.687 -4.220 10.705 1.00 0.00 C ATOM 1422 CD2 TYR A 100 -4.868 -2.347 9.383 1.00 0.00 C ATOM 1423 CE1 TYR A 100 -4.552 -4.138 11.530 1.00 0.00 C ATOM 1424 CE2 TYR A 100 -3.731 -2.261 10.206 1.00 0.00 C ATOM 1425 CZ TYR A 100 -3.568 -3.156 11.287 1.00 0.00 C ATOM 1426 OH TYR A 100 -2.468 -3.075 12.086 1.00 0.00 O ATOM 0 H TYR A 100 -5.895 -3.320 6.493 1.00 0.00 H new ATOM 0 HA TYR A 100 -6.961 -5.464 8.244 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -7.254 -2.444 8.274 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -7.969 -3.564 9.416 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -6.434 -4.977 10.892 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -4.985 -1.665 8.554 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -4.433 -4.828 12.352 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -2.981 -1.509 10.011 1.00 0.00 H new ATOM 0 HH TYR A 100 -1.893 -2.344 11.777 1.00 0.00 H new ATOM 1436 N LYS A 101 -9.469 -4.789 7.508 1.00 0.00 N ATOM 1437 CA LYS A 101 -10.777 -4.994 6.888 1.00 0.00 C ATOM 1438 C LYS A 101 -11.771 -4.064 7.581 1.00 0.00 C ATOM 1439 O LYS A 101 -11.353 -3.123 8.247 1.00 0.00 O ATOM 1440 CB LYS A 101 -11.138 -6.484 7.033 1.00 0.00 C ATOM 1441 CG LYS A 101 -11.947 -7.076 5.875 1.00 0.00 C ATOM 1442 CD LYS A 101 -11.122 -7.156 4.587 1.00 0.00 C ATOM 1443 CE LYS A 101 -11.716 -6.243 3.517 1.00 0.00 C ATOM 1444 NZ LYS A 101 -10.885 -6.204 2.301 1.00 0.00 N ATOM 0 H LYS A 101 -9.521 -4.790 8.527 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.787 -4.755 5.825 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -10.216 -7.056 7.140 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.704 -6.616 7.955 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -12.294 -8.073 6.147 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -12.833 -6.466 5.702 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -10.091 -6.867 4.790 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.099 -8.184 4.225 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.717 -6.589 3.261 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.820 -5.235 3.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.324 -5.573 1.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -9.937 -5.850 2.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.807 -7.162 1.903 1.00 0.00 H new ATOM 1458 N ASN A 102 -13.075 -4.319 7.461 1.00 0.00 N ATOM 1459 CA ASN A 102 -14.083 -3.717 8.331 1.00 0.00 C ATOM 1460 C ASN A 102 -13.984 -4.331 9.743 1.00 0.00 C ATOM 1461 O ASN A 102 -14.895 -5.031 10.177 1.00 0.00 O ATOM 1462 CB ASN A 102 -15.511 -3.798 7.732 1.00 0.00 C ATOM 1463 CG ASN A 102 -16.125 -5.190 7.604 1.00 0.00 C ATOM 1464 OD1 ASN A 102 -15.572 -6.035 6.753 1.00 0.00 O flip ATOM 1465 ND2 ASN A 102 -17.157 -5.483 8.191 1.00 0.00 N flip ATOM 0 H ASN A 102 -13.461 -4.949 6.757 1.00 0.00 H new ATOM 0 HA ASN A 102 -13.876 -2.650 8.413 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -16.173 -3.190 8.348 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -15.490 -3.343 6.742 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -17.576 -4.823 8.846 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -17.599 -6.387 8.025 1.00 0.00 H new ATOM 1472 N GLY A 103 -12.875 -4.130 10.461 1.00 0.00 N ATOM 1473 CA GLY A 103 -12.723 -4.580 11.843 1.00 0.00 C ATOM 1474 C GLY A 103 -12.044 -5.944 11.974 1.00 0.00 C ATOM 1475 O GLY A 103 -12.583 -6.817 12.658 1.00 0.00 O ATOM 0 H GLY A 103 -12.054 -3.647 10.095 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -12.143 -3.841 12.395 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -13.706 -4.627 12.311 1.00 0.00 H new ATOM 1479 N LYS A 104 -10.903 -6.174 11.308 1.00 0.00 N ATOM 1480 CA LYS A 104 -9.956 -7.277 11.494 1.00 0.00 C ATOM 1481 C LYS A 104 -8.682 -7.030 10.683 1.00 0.00 C ATOM 1482 O LYS A 104 -8.643 -6.089 9.893 1.00 0.00 O ATOM 1483 CB LYS A 104 -10.597 -8.611 11.098 1.00 0.00 C ATOM 1484 CG LYS A 104 -11.161 -8.638 9.677 1.00 0.00 C ATOM 1485 CD LYS A 104 -11.493 -10.048 9.179 1.00 0.00 C ATOM 1486 CE LYS A 104 -12.777 -10.172 8.351 1.00 0.00 C ATOM 1487 NZ LYS A 104 -13.994 -10.059 9.179 1.00 0.00 N ATOM 0 H LYS A 104 -10.597 -5.542 10.568 1.00 0.00 H new ATOM 0 HA LYS A 104 -9.688 -7.327 12.549 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -9.854 -9.402 11.197 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.399 -8.838 11.800 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -12.063 -8.027 9.641 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -10.439 -8.182 8.999 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.658 -10.408 8.578 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.573 -10.709 10.042 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -12.789 -9.396 7.585 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -12.781 -11.131 7.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -14.835 -10.149 8.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -13.999 -10.814 9.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -14.006 -9.134 9.653 1.00 0.00 H new ATOM 1501 N GLU A 105 -7.688 -7.910 10.809 1.00 0.00 N ATOM 1502 CA GLU A 105 -6.460 -7.952 10.006 1.00 0.00 C ATOM 1503 C GLU A 105 -6.557 -9.164 9.076 1.00 0.00 C ATOM 1504 O GLU A 105 -6.978 -10.240 9.525 1.00 0.00 O ATOM 1505 CB GLU A 105 -5.228 -8.066 10.930 1.00 0.00 C ATOM 1506 CG GLU A 105 -3.891 -7.958 10.171 1.00 0.00 C ATOM 1507 CD GLU A 105 -2.685 -8.349 11.039 1.00 0.00 C ATOM 1508 OE1 GLU A 105 -2.376 -9.564 11.147 1.00 0.00 O ATOM 1509 OE2 GLU A 105 -2.048 -7.452 11.636 1.00 0.00 O ATOM 0 H GLU A 105 -7.717 -8.652 11.509 1.00 0.00 H new ATOM 0 HA GLU A 105 -6.349 -7.040 9.420 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -5.274 -7.282 11.686 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -5.264 -9.019 11.457 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -3.924 -8.601 9.291 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -3.761 -6.936 9.815 1.00 0.00 H new ATOM 1516 N ILE A 106 -6.166 -9.015 7.804 1.00 0.00 N ATOM 1517 CA ILE A 106 -6.166 -10.116 6.835 1.00 0.00 C ATOM 1518 C ILE A 106 -4.812 -10.312 6.148 1.00 0.00 C ATOM 1519 O ILE A 106 -4.557 -11.408 5.645 1.00 0.00 O ATOM 1520 CB ILE A 106 -7.298 -9.966 5.788 1.00 0.00 C ATOM 1521 CG1 ILE A 106 -7.148 -8.725 4.877 1.00 0.00 C ATOM 1522 CG2 ILE A 106 -8.682 -9.980 6.460 1.00 0.00 C ATOM 1523 CD1 ILE A 106 -7.968 -8.869 3.589 1.00 0.00 C ATOM 0 H ILE A 106 -5.841 -8.128 7.419 1.00 0.00 H new ATOM 0 HA ILE A 106 -6.359 -11.018 7.416 1.00 0.00 H new ATOM 0 HB ILE A 106 -7.208 -10.834 5.135 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -7.471 -7.835 5.417 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.097 -8.582 4.626 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -9.456 -9.873 5.700 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -8.820 -10.923 6.989 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -8.751 -9.154 7.168 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -7.838 -7.979 2.974 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -7.627 -9.745 3.037 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -9.022 -8.986 3.840 1.00 0.00 H new ATOM 1535 N GLU A 107 -3.944 -9.298 6.106 1.00 0.00 N ATOM 1536 CA GLU A 107 -2.686 -9.357 5.372 1.00 0.00 C ATOM 1537 C GLU A 107 -1.627 -8.604 6.169 1.00 0.00 C ATOM 1538 O GLU A 107 -1.953 -7.643 6.867 1.00 0.00 O ATOM 1539 CB GLU A 107 -2.860 -8.695 4.003 1.00 0.00 C ATOM 1540 CG GLU A 107 -1.889 -9.248 2.955 1.00 0.00 C ATOM 1541 CD GLU A 107 -2.362 -10.531 2.280 1.00 0.00 C ATOM 1542 OE1 GLU A 107 -3.581 -10.683 2.057 1.00 0.00 O ATOM 1543 OE2 GLU A 107 -1.485 -11.375 1.968 1.00 0.00 O ATOM 0 H GLU A 107 -4.099 -8.410 6.584 1.00 0.00 H new ATOM 0 HA GLU A 107 -2.383 -10.395 5.230 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -3.884 -8.843 3.659 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -2.709 -7.620 4.101 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -1.725 -8.488 2.191 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.926 -9.435 3.431 1.00 0.00 H new ATOM 1550 N LYS A 108 -0.364 -9.000 6.024 1.00 0.00 N ATOM 1551 CA LYS A 108 0.777 -8.514 6.799 1.00 0.00 C ATOM 1552 C LYS A 108 2.014 -9.248 6.307 1.00 0.00 C ATOM 1553 O LYS A 108 1.983 -10.483 6.279 1.00 0.00 O ATOM 1554 CB LYS A 108 0.524 -8.700 8.309 1.00 0.00 C ATOM 1555 CG LYS A 108 1.746 -8.582 9.225 1.00 0.00 C ATOM 1556 CD LYS A 108 2.317 -9.954 9.613 1.00 0.00 C ATOM 1557 CE LYS A 108 3.009 -9.860 10.971 1.00 0.00 C ATOM 1558 NZ LYS A 108 4.476 -9.792 10.859 1.00 0.00 N ATOM 0 H LYS A 108 -0.096 -9.700 5.332 1.00 0.00 H new ATOM 0 HA LYS A 108 0.926 -7.444 6.656 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -0.212 -7.961 8.625 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.076 -9.682 8.462 1.00 0.00 H new ATOM 0 HG2 LYS A 108 2.518 -7.998 8.724 1.00 0.00 H new ATOM 0 HG3 LYS A 108 1.470 -8.037 10.128 1.00 0.00 H new ATOM 0 HD2 LYS A 108 1.517 -10.693 9.652 1.00 0.00 H new ATOM 0 HD3 LYS A 108 3.025 -10.291 8.856 1.00 0.00 H new ATOM 0 HE2 LYS A 108 2.648 -8.977 11.498 1.00 0.00 H new ATOM 0 HE3 LYS A 108 2.735 -10.725 11.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 4.894 -9.730 11.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 4.828 -10.646 10.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 4.743 -8.952 10.307 1.00 0.00 H new ATOM 1572 N LYS A 109 3.056 -8.518 5.898 1.00 0.00 N ATOM 1573 CA LYS A 109 4.316 -9.040 5.356 1.00 0.00 C ATOM 1574 C LYS A 109 5.441 -8.052 5.675 1.00 0.00 C ATOM 1575 O LYS A 109 5.174 -6.872 5.903 1.00 0.00 O ATOM 1576 CB LYS A 109 4.178 -9.233 3.827 1.00 0.00 C ATOM 1577 CG LYS A 109 3.934 -10.692 3.418 1.00 0.00 C ATOM 1578 CD LYS A 109 5.206 -11.553 3.477 1.00 0.00 C ATOM 1579 CE LYS A 109 5.006 -12.884 2.740 1.00 0.00 C ATOM 1580 NZ LYS A 109 4.093 -13.809 3.439 1.00 0.00 N ATOM 0 H LYS A 109 3.044 -7.499 5.937 1.00 0.00 H new ATOM 0 HA LYS A 109 4.550 -10.004 5.808 1.00 0.00 H new ATOM 0 HB2 LYS A 109 3.354 -8.619 3.463 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.084 -8.873 3.339 1.00 0.00 H new ATOM 0 HG2 LYS A 109 3.178 -11.125 4.073 1.00 0.00 H new ATOM 0 HG3 LYS A 109 3.531 -10.717 2.405 1.00 0.00 H new ATOM 0 HD2 LYS A 109 6.039 -11.008 3.032 1.00 0.00 H new ATOM 0 HD3 LYS A 109 5.471 -11.745 4.517 1.00 0.00 H new ATOM 0 HE2 LYS A 109 4.615 -12.683 1.743 1.00 0.00 H new ATOM 0 HE3 LYS A 109 5.974 -13.369 2.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 4.001 -14.687 2.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 4.475 -14.028 4.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 3.158 -13.364 3.539 1.00 0.00 H new ATOM 1594 N SER A 110 6.689 -8.522 5.647 1.00 0.00 N ATOM 1595 CA SER A 110 7.875 -7.791 6.061 1.00 0.00 C ATOM 1596 C SER A 110 8.999 -7.964 5.029 1.00 0.00 C ATOM 1597 O SER A 110 9.499 -9.076 4.817 1.00 0.00 O ATOM 1598 CB SER A 110 8.292 -8.294 7.452 1.00 0.00 C ATOM 1599 OG SER A 110 8.029 -9.671 7.676 1.00 0.00 O ATOM 0 H SER A 110 6.904 -9.464 5.320 1.00 0.00 H new ATOM 0 HA SER A 110 7.663 -6.723 6.120 1.00 0.00 H new ATOM 0 HB2 SER A 110 9.358 -8.113 7.587 1.00 0.00 H new ATOM 0 HB3 SER A 110 7.771 -7.708 8.209 1.00 0.00 H new ATOM 0 HG SER A 110 8.322 -9.917 8.578 1.00 0.00 H new ATOM 1605 N LEU A 111 9.398 -6.886 4.353 1.00 0.00 N ATOM 1606 CA LEU A 111 10.463 -6.862 3.353 1.00 0.00 C ATOM 1607 C LEU A 111 11.731 -6.298 3.984 1.00 0.00 C ATOM 1608 O LEU A 111 11.677 -5.375 4.803 1.00 0.00 O ATOM 1609 CB LEU A 111 10.075 -5.967 2.166 1.00 0.00 C ATOM 1610 CG LEU A 111 9.150 -6.577 1.099 1.00 0.00 C ATOM 1611 CD1 LEU A 111 7.857 -7.186 1.653 1.00 0.00 C ATOM 1612 CD2 LEU A 111 8.800 -5.458 0.112 1.00 0.00 C ATOM 0 H LEU A 111 8.971 -5.971 4.493 1.00 0.00 H new ATOM 0 HA LEU A 111 10.626 -7.880 2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 111 9.592 -5.073 2.561 1.00 0.00 H new ATOM 0 HB3 LEU A 111 10.992 -5.643 1.673 1.00 0.00 H new ATOM 0 HG LEU A 111 9.684 -7.405 0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 111 7.266 -7.592 0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 111 8.102 -7.984 2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.283 -6.415 2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 111 8.143 -5.850 -0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 111 8.295 -4.650 0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 111 9.713 -5.077 -0.345 1.00 0.00 H new ATOM 1827 N ASN A 125 0.898 -10.423 -5.267 1.00 0.00 N ATOM 1828 CA ASN A 125 -0.082 -10.228 -6.325 1.00 0.00 C ATOM 1829 C ASN A 125 -1.483 -10.480 -5.772 1.00 0.00 C ATOM 1830 O ASN A 125 -1.973 -11.613 -5.783 1.00 0.00 O ATOM 1831 CB ASN A 125 0.248 -11.147 -7.509 1.00 0.00 C ATOM 1832 CG ASN A 125 -0.879 -11.258 -8.533 1.00 0.00 C ATOM 1833 OD1 ASN A 125 -1.238 -12.357 -8.952 1.00 0.00 O ATOM 1834 ND2 ASN A 125 -1.452 -10.162 -8.993 1.00 0.00 N ATOM 0 HA ASN A 125 -0.049 -9.201 -6.688 1.00 0.00 H new ATOM 0 HB2 ASN A 125 1.144 -10.776 -8.007 1.00 0.00 H new ATOM 0 HB3 ASN A 125 0.483 -12.142 -7.131 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -2.190 -10.228 -9.694 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -1.157 -9.249 -8.648 1.00 0.00 H new ATOM 1841 N LEU A 126 -2.105 -9.435 -5.223 1.00 0.00 N ATOM 1842 CA LEU A 126 -3.429 -9.488 -4.620 1.00 0.00 C ATOM 1843 C LEU A 126 -4.233 -8.302 -5.151 1.00 0.00 C ATOM 1844 O LEU A 126 -3.679 -7.213 -5.316 1.00 0.00 O ATOM 1845 CB LEU A 126 -3.314 -9.407 -3.084 1.00 0.00 C ATOM 1846 CG LEU A 126 -2.867 -10.702 -2.384 1.00 0.00 C ATOM 1847 CD1 LEU A 126 -1.347 -10.857 -2.299 1.00 0.00 C ATOM 1848 CD2 LEU A 126 -3.383 -10.698 -0.945 1.00 0.00 C ATOM 0 H LEU A 126 -1.687 -8.505 -5.187 1.00 0.00 H new ATOM 0 HA LEU A 126 -3.925 -10.425 -4.874 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -2.608 -8.616 -2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -4.282 -9.112 -2.680 1.00 0.00 H new ATOM 0 HG LEU A 126 -3.269 -11.521 -2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -1.104 -11.792 -1.794 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -0.926 -10.868 -3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -0.927 -10.022 -1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -3.069 -11.614 -0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -2.977 -9.836 -0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -4.472 -10.641 -0.949 1.00 0.00 H new ATOM 1860 N TYR A 127 -5.557 -8.430 -5.258 1.00 0.00 N ATOM 1861 CA TYR A 127 -6.494 -7.397 -5.710 1.00 0.00 C ATOM 1862 C TYR A 127 -7.878 -7.763 -5.172 1.00 0.00 C ATOM 1863 O TYR A 127 -8.403 -8.825 -5.507 1.00 0.00 O ATOM 1864 CB TYR A 127 -6.469 -7.324 -7.252 1.00 0.00 C ATOM 1865 CG TYR A 127 -7.528 -6.468 -7.930 1.00 0.00 C ATOM 1866 CD1 TYR A 127 -7.713 -5.130 -7.544 1.00 0.00 C ATOM 1867 CD2 TYR A 127 -8.278 -6.985 -9.006 1.00 0.00 C ATOM 1868 CE1 TYR A 127 -8.654 -4.316 -8.196 1.00 0.00 C ATOM 1869 CE2 TYR A 127 -9.202 -6.170 -9.686 1.00 0.00 C ATOM 1870 CZ TYR A 127 -9.404 -4.834 -9.273 1.00 0.00 C ATOM 1871 OH TYR A 127 -10.265 -4.034 -9.961 1.00 0.00 O ATOM 0 H TYR A 127 -6.030 -9.302 -5.020 1.00 0.00 H new ATOM 0 HA TYR A 127 -6.219 -6.410 -5.337 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -5.490 -6.952 -7.556 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -6.558 -8.339 -7.639 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -7.124 -4.722 -6.736 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -8.143 -8.012 -9.310 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -8.803 -3.296 -7.874 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -9.757 -6.566 -10.524 1.00 0.00 H new ATOM 0 HH TYR A 127 -11.163 -4.114 -9.578 1.00 0.00 H new ATOM 1881 N TYR A 128 -8.431 -6.930 -4.290 1.00 0.00 N ATOM 1882 CA TYR A 128 -9.725 -7.126 -3.655 1.00 0.00 C ATOM 1883 C TYR A 128 -10.767 -6.327 -4.434 1.00 0.00 C ATOM 1884 O TYR A 128 -10.957 -5.126 -4.208 1.00 0.00 O ATOM 1885 CB TYR A 128 -9.696 -6.679 -2.185 1.00 0.00 C ATOM 1886 CG TYR A 128 -8.745 -7.446 -1.285 1.00 0.00 C ATOM 1887 CD1 TYR A 128 -7.398 -7.059 -1.190 1.00 0.00 C ATOM 1888 CD2 TYR A 128 -9.194 -8.562 -0.561 1.00 0.00 C ATOM 1889 CE1 TYR A 128 -6.479 -7.815 -0.429 1.00 0.00 C ATOM 1890 CE2 TYR A 128 -8.294 -9.305 0.216 1.00 0.00 C ATOM 1891 CZ TYR A 128 -6.927 -8.956 0.280 1.00 0.00 C ATOM 1892 OH TYR A 128 -6.097 -9.753 1.014 1.00 0.00 O ATOM 0 H TYR A 128 -7.970 -6.071 -3.991 1.00 0.00 H new ATOM 0 HA TYR A 128 -9.977 -8.186 -3.666 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -9.428 -5.623 -2.150 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -10.703 -6.766 -1.777 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -7.061 -6.172 -1.705 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -10.234 -8.849 -0.603 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -5.440 -7.524 -0.388 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -8.652 -10.158 0.774 1.00 0.00 H new ATOM 0 HH TYR A 128 -5.166 -9.497 0.848 1.00 0.00 H new ATOM 1902 N ASN A 129 -11.493 -6.994 -5.318 1.00 0.00 N ATOM 1903 CA ASN A 129 -12.672 -6.464 -6.005 1.00 0.00 C ATOM 1904 C ASN A 129 -13.807 -7.466 -5.883 1.00 0.00 C ATOM 1905 O ASN A 129 -13.764 -8.270 -4.924 1.00 0.00 O ATOM 1906 CB ASN A 129 -12.348 -6.073 -7.454 1.00 0.00 C ATOM 1907 CG ASN A 129 -12.237 -7.253 -8.414 1.00 0.00 C ATOM 1908 OD1 ASN A 129 -11.912 -8.379 -8.045 1.00 0.00 O ATOM 1909 ND2 ASN A 129 -12.526 -7.051 -9.684 1.00 0.00 N ATOM 0 H ASN A 129 -11.274 -7.953 -5.590 1.00 0.00 H new ATOM 0 HA ASN A 129 -12.997 -5.539 -5.530 1.00 0.00 H new ATOM 0 HB2 ASN A 129 -13.122 -5.396 -7.817 1.00 0.00 H new ATOM 0 HB3 ASN A 129 -11.409 -5.520 -7.467 1.00 0.00 H new ATOM 0 HD21 ASN A 129 -12.478 -7.825 -10.347 1.00 0.00 H new ATOM 0 HD22 ASN A 129 -12.797 -6.121 -10.004 1.00 0.00 H new