USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 530 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 18 GLN : amide:sc= 0 X(o=0,f=0.22) USER MOD Set 1.2: A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -48:sc= 1.21 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN :FLIP amide:sc= -0.14 F(o=-0.71,f=-0.14) USER MOD Single : A 27 MET CE :methyl -157:sc= -1.76 (180deg=-2.78!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -111:sc= 0.382 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.909 K(o=-0.91,f=-2!) USER MOD Single : A 62 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0429) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 80:sc= 0.0307 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -2.92 K(o=-2.9,f=-7.6!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0.0567 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N LEU A 13 7.644 -0.945 4.743 1.00 0.00 N ATOM 143 CA LEU A 13 7.184 0.412 5.015 1.00 0.00 C ATOM 144 C LEU A 13 6.525 0.498 6.387 1.00 0.00 C ATOM 145 O LEU A 13 6.277 -0.521 7.032 1.00 0.00 O ATOM 146 CB LEU A 13 6.200 0.866 3.935 1.00 0.00 C ATOM 147 CG LEU A 13 6.571 0.458 2.508 1.00 0.00 C ATOM 148 CD1 LEU A 13 5.911 -0.862 2.140 1.00 0.00 C ATOM 149 CD2 LEU A 13 6.175 1.548 1.524 1.00 0.00 C ATOM 0 HA LEU A 13 8.052 1.071 5.006 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.216 0.460 4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.115 1.952 3.976 1.00 0.00 H new ATOM 0 HG LEU A 13 7.652 0.325 2.457 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.187 -1.135 1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.244 -1.640 2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.828 -0.758 2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.446 1.242 0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.099 1.713 1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.696 2.472 1.775 1.00 0.00 H new ATOM 161 N HIS A 14 6.244 1.720 6.828 1.00 0.00 N ATOM 162 CA HIS A 14 5.612 1.938 8.124 1.00 0.00 C ATOM 163 C HIS A 14 4.152 2.348 7.954 1.00 0.00 C ATOM 164 O HIS A 14 3.747 2.810 6.888 1.00 0.00 O ATOM 165 CB HIS A 14 6.368 3.011 8.911 1.00 0.00 C ATOM 166 CG HIS A 14 7.399 2.455 9.843 1.00 0.00 C ATOM 167 ND1 HIS A 14 7.098 1.798 11.015 1.00 0.00 N ATOM 168 CD2 HIS A 14 8.753 2.465 9.757 1.00 0.00 C ATOM 169 CE1 HIS A 14 8.252 1.439 11.593 1.00 0.00 C ATOM 170 NE2 HIS A 14 9.287 1.820 10.869 1.00 0.00 N ATOM 0 H HIS A 14 6.444 2.574 6.307 1.00 0.00 H new ATOM 0 HA HIS A 14 5.646 1.001 8.679 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.853 3.690 8.210 1.00 0.00 H new ATOM 0 HB3 HIS A 14 5.653 3.601 9.484 1.00 0.00 H new ATOM 0 HD2 HIS A 14 9.326 2.904 8.953 1.00 0.00 H new ATOM 0 HE1 HIS A 14 8.326 0.907 12.530 1.00 0.00 H new ATOM 0 HE2 HIS A 14 10.274 1.673 11.080 1.00 0.00 H new ATOM 178 N GLU A 15 3.367 2.174 9.011 1.00 0.00 N ATOM 179 CA GLU A 15 1.952 2.526 8.978 1.00 0.00 C ATOM 180 C GLU A 15 1.768 4.040 8.954 1.00 0.00 C ATOM 181 O GLU A 15 2.419 4.766 9.706 1.00 0.00 O ATOM 182 CB GLU A 15 1.227 1.932 10.189 1.00 0.00 C ATOM 183 CG GLU A 15 0.681 0.535 9.945 1.00 0.00 C ATOM 184 CD GLU A 15 0.239 -0.149 11.224 1.00 0.00 C ATOM 185 OE1 GLU A 15 0.890 0.068 12.269 1.00 0.00 O ATOM 186 OE2 GLU A 15 -0.757 -0.901 11.183 1.00 0.00 O ATOM 0 H GLU A 15 3.686 1.792 9.901 1.00 0.00 H new ATOM 0 HA GLU A 15 1.522 2.111 8.066 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.914 1.902 11.035 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.405 2.591 10.469 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.163 0.594 9.258 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.446 -0.071 9.459 1.00 0.00 H new ATOM 193 N GLY A 16 0.878 4.509 8.086 1.00 0.00 N ATOM 194 CA GLY A 16 0.626 5.934 7.980 1.00 0.00 C ATOM 195 C GLY A 16 1.788 6.685 7.361 1.00 0.00 C ATOM 196 O GLY A 16 2.095 7.807 7.762 1.00 0.00 O ATOM 0 H GLY A 16 0.327 3.928 7.454 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.269 6.098 7.380 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.423 6.338 8.972 1.00 0.00 H new ATOM 200 N SER A 17 2.436 6.064 6.380 1.00 0.00 N ATOM 201 CA SER A 17 3.570 6.681 5.704 1.00 0.00 C ATOM 202 C SER A 17 3.162 7.219 4.336 1.00 0.00 C ATOM 203 O SER A 17 2.071 6.929 3.843 1.00 0.00 O ATOM 204 CB SER A 17 4.708 5.670 5.548 1.00 0.00 C ATOM 205 OG SER A 17 5.612 5.749 6.637 1.00 0.00 O ATOM 0 H SER A 17 2.195 5.134 6.036 1.00 0.00 H new ATOM 0 HA SER A 17 3.915 7.516 6.314 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.297 4.662 5.484 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.240 5.857 4.615 1.00 0.00 H new ATOM 0 HG SER A 17 6.329 5.092 6.515 1.00 0.00 H new ATOM 211 N GLN A 18 4.046 8.003 3.726 1.00 0.00 N ATOM 212 CA GLN A 18 3.778 8.581 2.414 1.00 0.00 C ATOM 213 C GLN A 18 4.599 7.884 1.334 1.00 0.00 C ATOM 214 O GLN A 18 5.821 7.787 1.436 1.00 0.00 O ATOM 215 CB GLN A 18 4.090 10.079 2.421 1.00 0.00 C ATOM 216 CG GLN A 18 3.344 10.851 3.497 1.00 0.00 C ATOM 217 CD GLN A 18 1.909 11.150 3.112 1.00 0.00 C ATOM 218 OE1 GLN A 18 1.650 11.907 2.176 1.00 0.00 O ATOM 219 NE2 GLN A 18 0.966 10.555 3.833 1.00 0.00 N ATOM 0 H GLN A 18 4.953 8.252 4.119 1.00 0.00 H new ATOM 0 HA GLN A 18 2.721 8.437 2.190 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.162 10.218 2.563 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.841 10.498 1.446 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.355 10.278 4.424 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.866 11.787 3.695 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.226 9.935 4.600 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.018 10.718 3.620 1.00 0.00 H new ATOM 228 N VAL A 19 3.917 7.400 0.301 1.00 0.00 N ATOM 229 CA VAL A 19 4.584 6.713 -0.798 1.00 0.00 C ATOM 230 C VAL A 19 4.166 7.292 -2.144 1.00 0.00 C ATOM 231 O VAL A 19 3.006 7.653 -2.344 1.00 0.00 O ATOM 232 CB VAL A 19 4.277 5.203 -0.784 1.00 0.00 C ATOM 233 CG1 VAL A 19 4.899 4.541 0.436 1.00 0.00 C ATOM 234 CG2 VAL A 19 2.775 4.963 -0.824 1.00 0.00 C ATOM 0 H VAL A 19 2.904 7.471 0.202 1.00 0.00 H new ATOM 0 HA VAL A 19 5.655 6.861 -0.660 1.00 0.00 H new ATOM 0 HB VAL A 19 4.717 4.754 -1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.671 3.475 0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.980 4.681 0.415 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.493 4.992 1.341 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.577 3.891 -0.813 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.309 5.426 0.046 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.361 5.399 -1.733 1.00 0.00 H new ATOM 244 N LEU A 20 5.119 7.378 -3.067 1.00 0.00 N ATOM 245 CA LEU A 20 4.850 7.913 -4.396 1.00 0.00 C ATOM 246 C LEU A 20 4.763 6.792 -5.426 1.00 0.00 C ATOM 247 O LEU A 20 5.471 5.791 -5.330 1.00 0.00 O ATOM 248 CB LEU A 20 5.941 8.908 -4.799 1.00 0.00 C ATOM 249 CG LEU A 20 5.710 9.611 -6.137 1.00 0.00 C ATOM 250 CD1 LEU A 20 4.433 10.436 -6.094 1.00 0.00 C ATOM 251 CD2 LEU A 20 6.903 10.491 -6.487 1.00 0.00 C ATOM 0 H LEU A 20 6.084 7.084 -2.918 1.00 0.00 H new ATOM 0 HA LEU A 20 3.891 8.429 -4.365 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.029 9.664 -4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.894 8.382 -4.842 1.00 0.00 H new ATOM 0 HG LEU A 20 5.601 8.852 -6.911 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.286 10.929 -7.055 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.585 9.783 -5.887 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.512 11.188 -5.309 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.723 10.985 -7.442 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.041 11.243 -5.710 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.800 9.876 -6.560 1.00 0.00 H new ATOM 263 N LEU A 21 3.888 6.969 -6.412 1.00 0.00 N ATOM 264 CA LEU A 21 3.708 5.972 -7.462 1.00 0.00 C ATOM 265 C LEU A 21 4.713 6.181 -8.589 1.00 0.00 C ATOM 266 O LEU A 21 4.987 7.314 -8.988 1.00 0.00 O ATOM 267 CB LEU A 21 2.284 6.034 -8.014 1.00 0.00 C ATOM 268 CG LEU A 21 1.195 5.543 -7.058 1.00 0.00 C ATOM 269 CD1 LEU A 21 -0.183 5.901 -7.589 1.00 0.00 C ATOM 270 CD2 LEU A 21 1.314 4.042 -6.845 1.00 0.00 C ATOM 0 H LEU A 21 3.293 7.792 -6.506 1.00 0.00 H new ATOM 0 HA LEU A 21 3.878 4.987 -7.027 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.064 7.064 -8.293 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.239 5.440 -8.927 1.00 0.00 H new ATOM 0 HG LEU A 21 1.330 6.039 -6.097 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.944 5.544 -6.896 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.264 6.983 -7.690 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.331 5.433 -8.562 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.532 3.708 -6.163 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.205 3.529 -7.801 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.290 3.811 -6.419 1.00 0.00 H new ATOM 282 N THR A 22 5.259 5.084 -9.101 1.00 0.00 N ATOM 283 CA THR A 22 6.233 5.146 -10.184 1.00 0.00 C ATOM 284 C THR A 22 5.567 4.874 -11.529 1.00 0.00 C ATOM 285 O THR A 22 6.188 4.325 -12.440 1.00 0.00 O ATOM 286 CB THR A 22 7.359 4.139 -9.945 1.00 0.00 C ATOM 287 OG1 THR A 22 8.308 4.189 -10.995 1.00 0.00 O ATOM 288 CG2 THR A 22 6.869 2.711 -9.836 1.00 0.00 C ATOM 0 H THR A 22 5.043 4.139 -8.783 1.00 0.00 H new ATOM 0 HA THR A 22 6.654 6.151 -10.204 1.00 0.00 H new ATOM 0 HB THR A 22 7.808 4.426 -8.994 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.843 4.173 -11.857 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.717 2.047 -9.667 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.172 2.628 -9.002 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.365 2.428 -10.760 1.00 0.00 H new ATOM 296 N SER A 23 4.302 5.262 -11.647 1.00 0.00 N ATOM 297 CA SER A 23 3.551 5.060 -12.881 1.00 0.00 C ATOM 298 C SER A 23 2.966 6.374 -13.385 1.00 0.00 C ATOM 299 O SER A 23 3.090 6.710 -14.563 1.00 0.00 O ATOM 300 CB SER A 23 2.431 4.041 -12.659 1.00 0.00 C ATOM 301 OG SER A 23 2.751 3.152 -11.603 1.00 0.00 O ATOM 0 H SER A 23 3.775 5.718 -10.903 1.00 0.00 H new ATOM 0 HA SER A 23 4.238 4.677 -13.636 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.501 4.562 -12.430 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.263 3.476 -13.576 1.00 0.00 H new ATOM 0 HG SER A 23 2.019 2.512 -11.481 1.00 0.00 H new ATOM 307 N SER A 24 2.329 7.116 -12.484 1.00 0.00 N ATOM 308 CA SER A 24 1.725 8.397 -12.839 1.00 0.00 C ATOM 309 C SER A 24 2.113 9.489 -11.843 1.00 0.00 C ATOM 310 O SER A 24 1.551 10.584 -11.863 1.00 0.00 O ATOM 311 CB SER A 24 0.203 8.264 -12.898 1.00 0.00 C ATOM 312 OG SER A 24 -0.201 7.509 -14.026 1.00 0.00 O ATOM 0 H SER A 24 2.218 6.853 -11.505 1.00 0.00 H new ATOM 0 HA SER A 24 2.101 8.683 -13.821 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.159 7.785 -11.988 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.250 9.255 -12.939 1.00 0.00 H new ATOM 0 HG SER A 24 -1.178 7.438 -14.039 1.00 0.00 H new ATOM 318 N ASN A 25 3.076 9.190 -10.974 1.00 0.00 N ATOM 319 CA ASN A 25 3.534 10.153 -9.976 1.00 0.00 C ATOM 320 C ASN A 25 2.367 10.670 -9.139 1.00 0.00 C ATOM 321 O ASN A 25 1.808 11.729 -9.423 1.00 0.00 O ATOM 322 CB ASN A 25 4.245 11.323 -10.657 1.00 0.00 C ATOM 323 CG ASN A 25 5.747 11.127 -10.720 1.00 0.00 C ATOM 324 OD1 ASN A 25 6.460 11.706 -9.760 1.00 0.00 O flip ATOM 325 ND2 ASN A 25 6.262 10.463 -11.620 1.00 0.00 N flip ATOM 0 H ASN A 25 3.554 8.289 -10.941 1.00 0.00 H new ATOM 0 HA ASN A 25 4.235 9.645 -9.313 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.854 11.444 -11.667 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.023 12.244 -10.117 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.676 10.036 -12.338 1.00 0.00 H new ATOM 0 HD22 ASN A 25 7.274 10.340 -11.648 1.00 0.00 H new ATOM 332 N GLU A 26 2.004 9.916 -8.107 1.00 0.00 N ATOM 333 CA GLU A 26 0.905 10.300 -7.229 1.00 0.00 C ATOM 334 C GLU A 26 1.168 9.845 -5.797 1.00 0.00 C ATOM 335 O GLU A 26 1.336 8.655 -5.534 1.00 0.00 O ATOM 336 CB GLU A 26 -0.410 9.703 -7.735 1.00 0.00 C ATOM 337 CG GLU A 26 -1.235 10.668 -8.570 1.00 0.00 C ATOM 338 CD GLU A 26 -2.183 11.502 -7.729 1.00 0.00 C ATOM 339 OE1 GLU A 26 -1.702 12.404 -7.011 1.00 0.00 O ATOM 340 OE2 GLU A 26 -3.405 11.254 -7.790 1.00 0.00 O ATOM 0 H GLU A 26 2.455 9.036 -7.858 1.00 0.00 H new ATOM 0 HA GLU A 26 0.829 11.387 -7.236 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.192 8.816 -8.330 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.003 9.376 -6.881 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.566 11.329 -9.121 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.808 10.106 -9.308 1.00 0.00 H new ATOM 347 N MET A 27 1.203 10.802 -4.875 1.00 0.00 N ATOM 348 CA MET A 27 1.445 10.501 -3.469 1.00 0.00 C ATOM 349 C MET A 27 0.246 9.787 -2.853 1.00 0.00 C ATOM 350 O MET A 27 -0.892 9.988 -3.273 1.00 0.00 O ATOM 351 CB MET A 27 1.743 11.786 -2.695 1.00 0.00 C ATOM 352 CG MET A 27 3.006 12.495 -3.157 1.00 0.00 C ATOM 353 SD MET A 27 4.508 11.690 -2.569 1.00 0.00 S ATOM 354 CE MET A 27 4.206 11.652 -0.805 1.00 0.00 C ATOM 0 H MET A 27 1.067 11.793 -5.077 1.00 0.00 H new ATOM 0 HA MET A 27 2.310 9.840 -3.407 1.00 0.00 H new ATOM 0 HB2 MET A 27 0.897 12.466 -2.796 1.00 0.00 H new ATOM 0 HB3 MET A 27 1.836 11.549 -1.635 1.00 0.00 H new ATOM 0 HG2 MET A 27 3.020 12.531 -4.246 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.989 13.526 -2.804 1.00 0.00 H new ATOM 0 HE1 MET A 27 5.155 11.576 -0.275 1.00 0.00 H new ATOM 0 HE2 MET A 27 3.694 12.566 -0.504 1.00 0.00 H new ATOM 0 HE3 MET A 27 3.584 10.791 -0.561 1.00 0.00 H new ATOM 364 N ALA A 28 0.512 8.953 -1.852 1.00 0.00 N ATOM 365 CA ALA A 28 -0.544 8.210 -1.176 1.00 0.00 C ATOM 366 C ALA A 28 -0.210 7.998 0.296 1.00 0.00 C ATOM 367 O ALA A 28 0.840 8.432 0.773 1.00 0.00 O ATOM 368 CB ALA A 28 -0.772 6.873 -1.865 1.00 0.00 C ATOM 0 H ALA A 28 1.450 8.775 -1.492 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.461 8.797 -1.233 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.563 6.328 -1.350 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.064 7.043 -2.901 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.148 6.288 -1.838 1.00 0.00 H new ATOM 374 N THR A 29 -1.107 7.328 1.011 1.00 0.00 N ATOM 375 CA THR A 29 -0.907 7.057 2.428 1.00 0.00 C ATOM 376 C THR A 29 -1.062 5.572 2.725 1.00 0.00 C ATOM 377 O THR A 29 -2.077 4.963 2.389 1.00 0.00 O ATOM 378 CB THR A 29 -1.894 7.865 3.271 1.00 0.00 C ATOM 379 OG1 THR A 29 -1.813 9.244 2.954 1.00 0.00 O ATOM 380 CG2 THR A 29 -1.667 7.722 4.760 1.00 0.00 C ATOM 0 H THR A 29 -1.980 6.963 0.631 1.00 0.00 H new ATOM 0 HA THR A 29 0.108 7.356 2.688 1.00 0.00 H new ATOM 0 HB THR A 29 -2.877 7.461 3.030 1.00 0.00 H new ATOM 0 HG1 THR A 29 -2.453 9.744 3.503 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.401 8.321 5.299 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.772 6.675 5.045 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.664 8.067 5.010 1.00 0.00 H new ATOM 388 N VAL A 30 -0.046 4.996 3.356 1.00 0.00 N ATOM 389 CA VAL A 30 -0.067 3.582 3.696 1.00 0.00 C ATOM 390 C VAL A 30 -0.948 3.321 4.912 1.00 0.00 C ATOM 391 O VAL A 30 -0.751 3.914 5.973 1.00 0.00 O ATOM 392 CB VAL A 30 1.351 3.050 3.980 1.00 0.00 C ATOM 393 CG1 VAL A 30 1.333 1.538 4.139 1.00 0.00 C ATOM 394 CG2 VAL A 30 2.308 3.466 2.871 1.00 0.00 C ATOM 0 H VAL A 30 0.801 5.487 3.642 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.478 3.057 2.834 1.00 0.00 H new ATOM 0 HB VAL A 30 1.702 3.485 4.915 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.343 1.181 4.339 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.681 1.267 4.970 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.961 1.080 3.222 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.305 3.082 3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.962 3.061 1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.344 4.554 2.810 1.00 0.00 H new ATOM 404 N ARG A 31 -1.921 2.431 4.751 1.00 0.00 N ATOM 405 CA ARG A 31 -2.834 2.091 5.836 1.00 0.00 C ATOM 406 C ARG A 31 -2.603 0.661 6.314 1.00 0.00 C ATOM 407 O ARG A 31 -2.755 0.360 7.497 1.00 0.00 O ATOM 408 CB ARG A 31 -4.285 2.261 5.381 1.00 0.00 C ATOM 409 CG ARG A 31 -4.587 3.640 4.814 1.00 0.00 C ATOM 410 CD ARG A 31 -4.703 4.680 5.916 1.00 0.00 C ATOM 411 NE ARG A 31 -5.840 4.421 6.797 1.00 0.00 N ATOM 412 CZ ARG A 31 -6.356 5.325 7.627 1.00 0.00 C ATOM 413 NH1 ARG A 31 -5.841 6.546 7.693 1.00 0.00 N ATOM 414 NH2 ARG A 31 -7.390 5.006 8.393 1.00 0.00 N ATOM 0 H ARG A 31 -2.098 1.932 3.879 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.639 2.768 6.667 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.511 1.509 4.625 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.947 2.072 6.226 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.799 3.930 4.120 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.516 3.606 4.245 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.785 4.690 6.503 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.807 5.669 5.471 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.263 3.493 6.775 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.045 6.796 7.106 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.241 7.234 8.331 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.789 4.069 8.346 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.786 5.698 9.029 1.00 0.00 H new ATOM 428 N TYR A 32 -2.237 -0.216 5.384 1.00 0.00 N ATOM 429 CA TYR A 32 -1.985 -1.614 5.711 1.00 0.00 C ATOM 430 C TYR A 32 -0.830 -2.167 4.881 1.00 0.00 C ATOM 431 O TYR A 32 -0.696 -1.853 3.698 1.00 0.00 O ATOM 432 CB TYR A 32 -3.244 -2.450 5.475 1.00 0.00 C ATOM 433 CG TYR A 32 -3.265 -3.747 6.253 1.00 0.00 C ATOM 434 CD1 TYR A 32 -3.336 -3.744 7.641 1.00 0.00 C ATOM 435 CD2 TYR A 32 -3.213 -4.971 5.601 1.00 0.00 C ATOM 436 CE1 TYR A 32 -3.354 -4.926 8.356 1.00 0.00 C ATOM 437 CE2 TYR A 32 -3.231 -6.158 6.309 1.00 0.00 C ATOM 438 CZ TYR A 32 -3.301 -6.130 7.686 1.00 0.00 C ATOM 439 OH TYR A 32 -3.320 -7.309 8.395 1.00 0.00 O ATOM 0 H TYR A 32 -2.109 0.017 4.399 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.712 -1.671 6.765 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.119 -1.859 5.747 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.328 -2.673 4.411 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.378 -2.803 8.169 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.158 -4.996 4.523 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.409 -4.907 9.434 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.190 -7.102 5.787 1.00 0.00 H new ATOM 0 HH TYR A 32 -3.277 -8.065 7.773 1.00 0.00 H new ATOM 449 N VAL A 33 0.000 -2.994 5.509 1.00 0.00 N ATOM 450 CA VAL A 33 1.143 -3.591 4.830 1.00 0.00 C ATOM 451 C VAL A 33 1.228 -5.087 5.112 1.00 0.00 C ATOM 452 O VAL A 33 1.482 -5.503 6.242 1.00 0.00 O ATOM 453 CB VAL A 33 2.464 -2.922 5.258 1.00 0.00 C ATOM 454 CG1 VAL A 33 3.625 -3.448 4.427 1.00 0.00 C ATOM 455 CG2 VAL A 33 2.358 -1.409 5.144 1.00 0.00 C ATOM 0 H VAL A 33 -0.098 -3.266 6.487 1.00 0.00 H new ATOM 0 HA VAL A 33 0.995 -3.433 3.762 1.00 0.00 H new ATOM 0 HB VAL A 33 2.654 -3.172 6.302 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.548 -2.964 4.744 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.714 -4.525 4.567 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.446 -3.232 3.374 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.300 -0.954 5.450 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.142 -1.136 4.111 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.556 -1.051 5.789 1.00 0.00 H new ATOM 465 N GLY A 34 1.014 -5.892 4.077 1.00 0.00 N ATOM 466 CA GLY A 34 1.071 -7.334 4.234 1.00 0.00 C ATOM 467 C GLY A 34 0.446 -8.069 3.063 1.00 0.00 C ATOM 468 O GLY A 34 0.087 -7.453 2.061 1.00 0.00 O ATOM 0 H GLY A 34 0.802 -5.572 3.132 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.110 -7.644 4.341 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.558 -7.617 5.153 1.00 0.00 H new ATOM 472 N PRO A 35 0.301 -9.403 3.161 1.00 0.00 N ATOM 473 CA PRO A 35 -0.289 -10.214 2.093 1.00 0.00 C ATOM 474 C PRO A 35 -1.787 -9.968 1.940 1.00 0.00 C ATOM 475 O PRO A 35 -2.384 -9.218 2.714 1.00 0.00 O ATOM 476 CB PRO A 35 -0.029 -11.650 2.550 1.00 0.00 C ATOM 477 CG PRO A 35 0.084 -11.562 4.032 1.00 0.00 C ATOM 478 CD PRO A 35 0.702 -10.221 4.321 1.00 0.00 C ATOM 0 HA PRO A 35 0.140 -9.979 1.119 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.842 -12.313 2.254 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.884 -12.047 2.106 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.894 -11.651 4.504 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.702 -12.369 4.425 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.332 -9.801 5.256 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.786 -10.289 4.409 1.00 0.00 H new ATOM 486 N THR A 36 -2.386 -10.600 0.937 1.00 0.00 N ATOM 487 CA THR A 36 -3.814 -10.450 0.683 1.00 0.00 C ATOM 488 C THR A 36 -4.496 -11.810 0.584 1.00 0.00 C ATOM 489 O THR A 36 -3.842 -12.850 0.649 1.00 0.00 O ATOM 490 CB THR A 36 -4.043 -9.656 -0.605 1.00 0.00 C ATOM 491 OG1 THR A 36 -3.544 -10.365 -1.725 1.00 0.00 O ATOM 492 CG2 THR A 36 -3.384 -8.294 -0.592 1.00 0.00 C ATOM 0 H THR A 36 -1.905 -11.221 0.286 1.00 0.00 H new ATOM 0 HA THR A 36 -4.251 -9.906 1.520 1.00 0.00 H new ATOM 0 HB THR A 36 -5.122 -9.519 -0.673 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.764 -9.896 -2.088 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.585 -7.784 -1.534 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.784 -7.704 0.233 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.308 -8.412 -0.466 1.00 0.00 H new ATOM 500 N ASP A 37 -5.816 -11.795 0.426 1.00 0.00 N ATOM 501 CA ASP A 37 -6.587 -13.028 0.319 1.00 0.00 C ATOM 502 C ASP A 37 -6.979 -13.302 -1.130 1.00 0.00 C ATOM 503 O ASP A 37 -7.099 -14.454 -1.544 1.00 0.00 O ATOM 504 CB ASP A 37 -7.840 -12.948 1.192 1.00 0.00 C ATOM 505 CG ASP A 37 -7.513 -12.704 2.652 1.00 0.00 C ATOM 506 OD1 ASP A 37 -6.953 -13.616 3.295 1.00 0.00 O ATOM 507 OD2 ASP A 37 -7.817 -11.600 3.152 1.00 0.00 O ATOM 0 H ASP A 37 -6.373 -10.943 0.369 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.961 -13.849 0.668 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.483 -12.147 0.828 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.404 -13.876 1.099 1.00 0.00 H new ATOM 512 N PHE A 38 -7.176 -12.233 -1.896 1.00 0.00 N ATOM 513 CA PHE A 38 -7.555 -12.359 -3.299 1.00 0.00 C ATOM 514 C PHE A 38 -6.345 -12.706 -4.160 1.00 0.00 C ATOM 515 O PHE A 38 -6.469 -13.389 -5.177 1.00 0.00 O ATOM 516 CB PHE A 38 -8.193 -11.061 -3.796 1.00 0.00 C ATOM 517 CG PHE A 38 -7.288 -9.867 -3.693 1.00 0.00 C ATOM 518 CD1 PHE A 38 -6.438 -9.534 -4.735 1.00 0.00 C ATOM 519 CD2 PHE A 38 -7.288 -9.078 -2.554 1.00 0.00 C ATOM 520 CE1 PHE A 38 -5.605 -8.435 -4.643 1.00 0.00 C ATOM 521 CE2 PHE A 38 -6.456 -7.979 -2.456 1.00 0.00 C ATOM 522 CZ PHE A 38 -5.613 -7.657 -3.502 1.00 0.00 C ATOM 0 H PHE A 38 -7.080 -11.272 -1.569 1.00 0.00 H new ATOM 0 HA PHE A 38 -8.282 -13.167 -3.382 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.494 -11.189 -4.836 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.100 -10.869 -3.223 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -6.426 -10.140 -5.629 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -7.946 -9.325 -1.734 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.948 -8.185 -5.463 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.465 -7.372 -1.562 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.962 -6.799 -3.428 1.00 0.00 H new ATOM 532 N ALA A 39 -5.174 -12.232 -3.746 1.00 0.00 N ATOM 533 CA ALA A 39 -3.942 -12.494 -4.479 1.00 0.00 C ATOM 534 C ALA A 39 -2.885 -13.115 -3.571 1.00 0.00 C ATOM 535 O ALA A 39 -3.120 -13.322 -2.380 1.00 0.00 O ATOM 536 CB ALA A 39 -3.416 -11.208 -5.101 1.00 0.00 C ATOM 0 H ALA A 39 -5.053 -11.665 -2.907 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.164 -13.206 -5.274 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.495 -11.417 -5.646 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.160 -10.805 -5.788 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.215 -10.480 -4.315 1.00 0.00 H new ATOM 542 N SER A 40 -1.721 -13.410 -4.141 1.00 0.00 N ATOM 543 CA SER A 40 -0.628 -14.007 -3.383 1.00 0.00 C ATOM 544 C SER A 40 0.647 -13.182 -3.523 1.00 0.00 C ATOM 545 O SER A 40 1.464 -13.429 -4.410 1.00 0.00 O ATOM 546 CB SER A 40 -0.376 -15.440 -3.855 1.00 0.00 C ATOM 547 OG SER A 40 -1.396 -16.314 -3.402 1.00 0.00 O ATOM 0 H SER A 40 -1.511 -13.245 -5.125 1.00 0.00 H new ATOM 0 HA SER A 40 -0.915 -14.023 -2.332 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.329 -15.464 -4.944 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.591 -15.783 -3.486 1.00 0.00 H new ATOM 0 HG SER A 40 -1.212 -17.223 -3.719 1.00 0.00 H new ATOM 553 N GLY A 41 0.810 -12.202 -2.641 1.00 0.00 N ATOM 554 CA GLY A 41 1.988 -11.355 -2.684 1.00 0.00 C ATOM 555 C GLY A 41 1.925 -10.224 -1.677 1.00 0.00 C ATOM 556 O GLY A 41 0.924 -10.060 -0.979 1.00 0.00 O ATOM 0 H GLY A 41 0.148 -11.979 -1.898 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.874 -11.960 -2.492 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.097 -10.940 -3.686 1.00 0.00 H new ATOM 560 N ILE A 42 2.997 -9.441 -1.600 1.00 0.00 N ATOM 561 CA ILE A 42 3.059 -8.320 -0.671 1.00 0.00 C ATOM 562 C ILE A 42 2.382 -7.084 -1.254 1.00 0.00 C ATOM 563 O ILE A 42 2.869 -6.495 -2.220 1.00 0.00 O ATOM 564 CB ILE A 42 4.514 -7.969 -0.307 1.00 0.00 C ATOM 565 CG1 ILE A 42 5.287 -9.232 0.080 1.00 0.00 C ATOM 566 CG2 ILE A 42 4.547 -6.952 0.825 1.00 0.00 C ATOM 567 CD1 ILE A 42 6.198 -9.743 -1.015 1.00 0.00 C ATOM 0 H ILE A 42 3.834 -9.563 -2.170 1.00 0.00 H new ATOM 0 HA ILE A 42 2.531 -8.630 0.231 1.00 0.00 H new ATOM 0 HB ILE A 42 4.994 -7.527 -1.180 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.882 -9.026 0.970 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.577 -10.015 0.346 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.582 -6.714 1.071 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.030 -6.044 0.514 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.052 -7.368 1.703 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.713 -10.640 -0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.606 -9.981 -1.899 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.931 -8.976 -1.265 1.00 0.00 H new ATOM 579 N TRP A 43 1.257 -6.696 -0.662 1.00 0.00 N ATOM 580 CA TRP A 43 0.513 -5.530 -1.123 1.00 0.00 C ATOM 581 C TRP A 43 0.503 -4.437 -0.061 1.00 0.00 C ATOM 582 O TRP A 43 1.068 -4.602 1.020 1.00 0.00 O ATOM 583 CB TRP A 43 -0.923 -5.923 -1.480 1.00 0.00 C ATOM 584 CG TRP A 43 -1.004 -6.931 -2.585 1.00 0.00 C ATOM 585 CD1 TRP A 43 -0.962 -8.290 -2.460 1.00 0.00 C ATOM 586 CD2 TRP A 43 -1.142 -6.659 -3.984 1.00 0.00 C ATOM 587 NE1 TRP A 43 -1.066 -8.879 -3.697 1.00 0.00 N ATOM 588 CE2 TRP A 43 -1.177 -7.900 -4.648 1.00 0.00 C ATOM 589 CE3 TRP A 43 -1.240 -5.488 -4.740 1.00 0.00 C ATOM 590 CZ2 TRP A 43 -1.306 -8.001 -6.031 1.00 0.00 C ATOM 591 CZ3 TRP A 43 -1.368 -5.589 -6.113 1.00 0.00 C ATOM 592 CH2 TRP A 43 -1.399 -6.838 -6.747 1.00 0.00 C ATOM 0 H TRP A 43 0.841 -7.172 0.138 1.00 0.00 H new ATOM 0 HA TRP A 43 1.009 -5.143 -2.013 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.413 -6.326 -0.594 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.475 -5.029 -1.771 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.862 -8.823 -1.526 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -1.061 -9.883 -3.878 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.216 -4.521 -4.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.332 -8.963 -6.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.445 -4.690 -6.707 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.498 -6.884 -7.821 1.00 0.00 H new ATOM 603 N LEU A 44 -0.143 -3.319 -0.376 1.00 0.00 N ATOM 604 CA LEU A 44 -0.226 -2.197 0.552 1.00 0.00 C ATOM 605 C LEU A 44 -1.569 -1.483 0.425 1.00 0.00 C ATOM 606 O LEU A 44 -1.957 -1.060 -0.664 1.00 0.00 O ATOM 607 CB LEU A 44 0.915 -1.209 0.295 1.00 0.00 C ATOM 608 CG LEU A 44 2.297 -1.844 0.134 1.00 0.00 C ATOM 609 CD1 LEU A 44 3.307 -0.811 -0.338 1.00 0.00 C ATOM 610 CD2 LEU A 44 2.749 -2.475 1.443 1.00 0.00 C ATOM 0 H LEU A 44 -0.616 -3.166 -1.266 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.137 -2.589 1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.686 -0.640 -0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.952 -0.498 1.120 1.00 0.00 H new ATOM 0 HG LEU A 44 2.230 -2.628 -0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.284 -1.281 -0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.990 -0.405 -1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.372 -0.005 0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.734 -2.922 1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.799 -1.710 2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.038 -3.246 1.740 1.00 0.00 H new ATOM 622 N GLY A 45 -2.272 -1.353 1.544 1.00 0.00 N ATOM 623 CA GLY A 45 -3.563 -0.689 1.536 1.00 0.00 C ATOM 624 C GLY A 45 -3.439 0.822 1.535 1.00 0.00 C ATOM 625 O GLY A 45 -3.570 1.463 2.577 1.00 0.00 O ATOM 0 H GLY A 45 -1.972 -1.695 2.457 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.125 -1.005 0.657 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.135 -1.003 2.409 1.00 0.00 H new ATOM 629 N LEU A 46 -3.182 1.392 0.362 1.00 0.00 N ATOM 630 CA LEU A 46 -3.038 2.837 0.229 1.00 0.00 C ATOM 631 C LEU A 46 -4.401 3.520 0.182 1.00 0.00 C ATOM 632 O LEU A 46 -5.430 2.864 0.027 1.00 0.00 O ATOM 633 CB LEU A 46 -2.241 3.177 -1.032 1.00 0.00 C ATOM 634 CG LEU A 46 -0.770 2.761 -1.000 1.00 0.00 C ATOM 635 CD1 LEU A 46 -0.156 2.865 -2.387 1.00 0.00 C ATOM 636 CD2 LEU A 46 0.003 3.618 -0.009 1.00 0.00 C ATOM 0 H LEU A 46 -3.069 0.875 -0.510 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.499 3.204 1.102 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.720 2.698 -1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.295 4.253 -1.198 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.712 1.722 -0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.891 2.565 -2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.694 2.210 -3.073 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.225 3.894 -2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.048 3.309 0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.063 4.665 -0.305 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.422 3.495 0.987 1.00 0.00 H new ATOM 648 N GLU A 47 -4.399 4.842 0.318 1.00 0.00 N ATOM 649 CA GLU A 47 -5.634 5.617 0.290 1.00 0.00 C ATOM 650 C GLU A 47 -5.380 7.028 -0.229 1.00 0.00 C ATOM 651 O GLU A 47 -4.786 7.856 0.462 1.00 0.00 O ATOM 652 CB GLU A 47 -6.253 5.679 1.688 1.00 0.00 C ATOM 653 CG GLU A 47 -7.769 5.780 1.678 1.00 0.00 C ATOM 654 CD GLU A 47 -8.257 7.188 1.395 1.00 0.00 C ATOM 655 OE1 GLU A 47 -7.771 8.130 2.056 1.00 0.00 O ATOM 656 OE2 GLU A 47 -9.125 7.348 0.512 1.00 0.00 O ATOM 0 H GLU A 47 -3.555 5.399 0.449 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.330 5.121 -0.387 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.960 4.789 2.246 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.843 6.538 2.220 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.170 5.102 0.924 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.158 5.451 2.642 1.00 0.00 H new ATOM 663 N LEU A 48 -5.832 7.294 -1.450 1.00 0.00 N ATOM 664 CA LEU A 48 -5.654 8.606 -2.063 1.00 0.00 C ATOM 665 C LEU A 48 -6.583 9.636 -1.427 1.00 0.00 C ATOM 666 O LEU A 48 -7.525 9.282 -0.717 1.00 0.00 O ATOM 667 CB LEU A 48 -5.914 8.528 -3.568 1.00 0.00 C ATOM 668 CG LEU A 48 -5.014 7.556 -4.332 1.00 0.00 C ATOM 669 CD1 LEU A 48 -5.545 7.329 -5.739 1.00 0.00 C ATOM 670 CD2 LEU A 48 -3.586 8.078 -4.378 1.00 0.00 C ATOM 0 H LEU A 48 -6.324 6.619 -2.035 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.624 8.921 -1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.953 8.239 -3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.792 9.524 -3.994 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.015 6.601 -3.807 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.891 6.635 -6.267 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.550 6.911 -5.685 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.574 8.278 -6.274 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.959 7.374 -4.925 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.568 9.046 -4.879 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.206 8.189 -3.362 1.00 0.00 H new ATOM 682 N ARG A 49 -6.311 10.909 -1.689 1.00 0.00 N ATOM 683 CA ARG A 49 -7.123 11.991 -1.145 1.00 0.00 C ATOM 684 C ARG A 49 -8.101 12.517 -2.190 1.00 0.00 C ATOM 685 O ARG A 49 -8.436 13.701 -2.202 1.00 0.00 O ATOM 686 CB ARG A 49 -6.228 13.130 -0.650 1.00 0.00 C ATOM 687 CG ARG A 49 -6.961 14.152 0.205 1.00 0.00 C ATOM 688 CD ARG A 49 -6.469 15.564 -0.069 1.00 0.00 C ATOM 689 NE ARG A 49 -7.119 16.154 -1.236 1.00 0.00 N ATOM 690 CZ ARG A 49 -6.642 17.206 -1.898 1.00 0.00 C ATOM 691 NH1 ARG A 49 -5.513 17.786 -1.512 1.00 0.00 N ATOM 692 NH2 ARG A 49 -7.296 17.678 -2.950 1.00 0.00 N ATOM 0 H ARG A 49 -5.535 11.217 -2.275 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.694 11.595 -0.306 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.405 12.709 -0.073 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.789 13.636 -1.510 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.031 14.094 0.006 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.819 13.914 1.259 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.656 16.189 0.804 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.390 15.548 -0.224 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.990 15.735 -1.563 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.005 17.426 -0.704 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.153 18.592 -2.023 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.164 17.235 -3.252 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.931 18.484 -3.458 1.00 0.00 H new ATOM 706 N SER A 50 -8.557 11.628 -3.066 1.00 0.00 N ATOM 707 CA SER A 50 -9.497 12.001 -4.116 1.00 0.00 C ATOM 708 C SER A 50 -9.911 10.781 -4.933 1.00 0.00 C ATOM 709 O SER A 50 -9.374 9.689 -4.752 1.00 0.00 O ATOM 710 CB SER A 50 -8.878 13.057 -5.033 1.00 0.00 C ATOM 711 OG SER A 50 -9.841 14.016 -5.433 1.00 0.00 O ATOM 0 H SER A 50 -8.290 10.643 -3.069 1.00 0.00 H new ATOM 0 HA SER A 50 -10.386 12.418 -3.642 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.058 13.555 -4.516 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.454 12.574 -5.914 1.00 0.00 H new ATOM 0 HG SER A 50 -9.418 14.680 -6.017 1.00 0.00 H new ATOM 717 N ALA A 51 -10.868 10.976 -5.835 1.00 0.00 N ATOM 718 CA ALA A 51 -11.353 9.892 -6.680 1.00 0.00 C ATOM 719 C ALA A 51 -10.347 9.558 -7.775 1.00 0.00 C ATOM 720 O ALA A 51 -10.310 10.211 -8.818 1.00 0.00 O ATOM 721 CB ALA A 51 -12.698 10.260 -7.290 1.00 0.00 C ATOM 0 H ALA A 51 -11.322 11.874 -5.999 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.479 9.007 -6.057 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -13.049 9.442 -7.919 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.421 10.442 -6.495 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.589 11.161 -7.894 1.00 0.00 H new ATOM 727 N LYS A 52 -9.532 8.537 -7.531 1.00 0.00 N ATOM 728 CA LYS A 52 -8.524 8.115 -8.498 1.00 0.00 C ATOM 729 C LYS A 52 -8.128 6.659 -8.271 1.00 0.00 C ATOM 730 O LYS A 52 -6.994 6.263 -8.543 1.00 0.00 O ATOM 731 CB LYS A 52 -7.290 9.017 -8.404 1.00 0.00 C ATOM 732 CG LYS A 52 -7.243 10.094 -9.475 1.00 0.00 C ATOM 733 CD LYS A 52 -6.632 9.572 -10.767 1.00 0.00 C ATOM 734 CE LYS A 52 -7.427 10.022 -11.982 1.00 0.00 C ATOM 735 NZ LYS A 52 -8.346 8.957 -12.471 1.00 0.00 N ATOM 0 H LYS A 52 -9.549 7.986 -6.672 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.952 8.202 -9.496 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.270 9.491 -7.423 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.393 8.402 -8.479 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.252 10.458 -9.670 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.662 10.942 -9.114 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.604 9.924 -10.853 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.594 8.483 -10.739 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.004 10.911 -11.729 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.741 10.304 -12.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.869 9.304 -13.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.794 8.117 -12.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.018 8.705 -11.718 1.00 0.00 H new ATOM 749 N GLY A 53 -9.070 5.865 -7.772 1.00 0.00 N ATOM 750 CA GLY A 53 -8.798 4.462 -7.518 1.00 0.00 C ATOM 751 C GLY A 53 -9.847 3.549 -8.125 1.00 0.00 C ATOM 752 O GLY A 53 -10.800 4.017 -8.749 1.00 0.00 O ATOM 0 H GLY A 53 -10.016 6.168 -7.539 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.819 4.206 -7.923 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.752 4.293 -6.442 1.00 0.00 H new ATOM 756 N LYS A 54 -9.671 2.245 -7.942 1.00 0.00 N ATOM 757 CA LYS A 54 -10.608 1.264 -8.477 1.00 0.00 C ATOM 758 C LYS A 54 -11.390 0.591 -7.353 1.00 0.00 C ATOM 759 O LYS A 54 -12.572 0.281 -7.506 1.00 0.00 O ATOM 760 CB LYS A 54 -9.863 0.210 -9.298 1.00 0.00 C ATOM 761 CG LYS A 54 -9.317 0.740 -10.615 1.00 0.00 C ATOM 762 CD LYS A 54 -9.725 -0.141 -11.785 1.00 0.00 C ATOM 763 CE LYS A 54 -9.925 0.675 -13.053 1.00 0.00 C ATOM 764 NZ LYS A 54 -9.770 -0.156 -14.279 1.00 0.00 N ATOM 0 H LYS A 54 -8.888 1.843 -7.427 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.313 1.786 -9.124 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.038 -0.185 -8.705 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.536 -0.623 -9.502 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.681 1.754 -10.778 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.230 0.796 -10.563 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.960 -0.899 -11.955 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.647 -0.668 -11.541 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.918 1.125 -13.042 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.205 1.493 -13.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.914 0.437 -15.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.814 -0.565 -14.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.474 -0.922 -14.271 1.00 0.00 H new ATOM 778 N ASN A 55 -10.723 0.367 -6.226 1.00 0.00 N ATOM 779 CA ASN A 55 -11.355 -0.270 -5.077 1.00 0.00 C ATOM 780 C ASN A 55 -12.213 0.728 -4.305 1.00 0.00 C ATOM 781 O ASN A 55 -12.313 1.895 -4.680 1.00 0.00 O ATOM 782 CB ASN A 55 -10.295 -0.870 -4.152 1.00 0.00 C ATOM 783 CG ASN A 55 -9.782 -2.206 -4.652 1.00 0.00 C ATOM 784 OD1 ASN A 55 -10.245 -3.262 -4.218 1.00 0.00 O ATOM 785 ND2 ASN A 55 -8.822 -2.168 -5.567 1.00 0.00 N ATOM 0 H ASN A 55 -9.744 0.617 -6.084 1.00 0.00 H new ATOM 0 HA ASN A 55 -11.999 -1.068 -5.445 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.461 -0.175 -4.061 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.716 -0.996 -3.154 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.438 -3.036 -5.939 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.468 -1.270 -5.898 1.00 0.00 H new ATOM 792 N ASP A 56 -12.830 0.259 -3.225 1.00 0.00 N ATOM 793 CA ASP A 56 -13.679 1.111 -2.400 1.00 0.00 C ATOM 794 C ASP A 56 -13.357 0.932 -0.921 1.00 0.00 C ATOM 795 O ASP A 56 -14.227 1.085 -0.063 1.00 0.00 O ATOM 796 CB ASP A 56 -15.155 0.795 -2.655 1.00 0.00 C ATOM 797 CG ASP A 56 -15.455 -0.687 -2.552 1.00 0.00 C ATOM 798 OD1 ASP A 56 -14.944 -1.333 -1.613 1.00 0.00 O ATOM 799 OD2 ASP A 56 -16.202 -1.202 -3.411 1.00 0.00 O ATOM 0 H ASP A 56 -12.758 -0.705 -2.901 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.484 2.148 -2.672 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.769 1.338 -1.937 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.434 1.151 -3.647 1.00 0.00 H new ATOM 804 N GLY A 57 -12.102 0.607 -0.627 1.00 0.00 N ATOM 805 CA GLY A 57 -11.689 0.413 0.750 1.00 0.00 C ATOM 806 C GLY A 57 -11.729 -1.043 1.170 1.00 0.00 C ATOM 807 O GLY A 57 -10.871 -1.501 1.926 1.00 0.00 O ATOM 0 H GLY A 57 -11.364 0.475 -1.318 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -10.677 0.797 0.880 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -12.337 0.995 1.405 1.00 0.00 H new ATOM 811 N ALA A 58 -12.727 -1.772 0.682 1.00 0.00 N ATOM 812 CA ALA A 58 -12.875 -3.184 1.012 1.00 0.00 C ATOM 813 C ALA A 58 -12.622 -4.064 -0.208 1.00 0.00 C ATOM 814 O ALA A 58 -13.178 -3.828 -1.281 1.00 0.00 O ATOM 815 CB ALA A 58 -14.261 -3.449 1.579 1.00 0.00 C ATOM 0 H ALA A 58 -13.446 -1.408 0.056 1.00 0.00 H new ATOM 0 HA ALA A 58 -12.130 -3.436 1.767 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -14.359 -4.507 1.821 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -14.404 -2.855 2.482 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.015 -3.175 0.841 1.00 0.00 H new ATOM 821 N VAL A 59 -11.780 -5.077 -0.036 1.00 0.00 N ATOM 822 CA VAL A 59 -11.454 -5.993 -1.123 1.00 0.00 C ATOM 823 C VAL A 59 -12.014 -7.386 -0.853 1.00 0.00 C ATOM 824 O VAL A 59 -11.488 -8.127 -0.023 1.00 0.00 O ATOM 825 CB VAL A 59 -9.932 -6.097 -1.332 1.00 0.00 C ATOM 826 CG1 VAL A 59 -9.618 -6.884 -2.596 1.00 0.00 C ATOM 827 CG2 VAL A 59 -9.305 -4.712 -1.388 1.00 0.00 C ATOM 0 H VAL A 59 -11.311 -5.285 0.846 1.00 0.00 H new ATOM 0 HA VAL A 59 -11.911 -5.588 -2.026 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.503 -6.631 -0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.538 -6.947 -2.727 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.032 -7.889 -2.511 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.059 -6.381 -3.457 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.229 -4.805 -1.536 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -9.738 -4.150 -2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.498 -4.187 -0.452 1.00 0.00 H new ATOM 837 N GLY A 60 -13.084 -7.735 -1.560 1.00 0.00 N ATOM 838 CA GLY A 60 -13.698 -9.037 -1.381 1.00 0.00 C ATOM 839 C GLY A 60 -14.395 -9.170 -0.041 1.00 0.00 C ATOM 840 O GLY A 60 -15.397 -8.502 0.213 1.00 0.00 O ATOM 0 H GLY A 60 -13.536 -7.139 -2.253 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.419 -9.208 -2.181 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.935 -9.810 -1.469 1.00 0.00 H new ATOM 844 N ASP A 61 -13.864 -10.034 0.817 1.00 0.00 N ATOM 845 CA ASP A 61 -14.440 -10.251 2.140 1.00 0.00 C ATOM 846 C ASP A 61 -13.532 -9.689 3.231 1.00 0.00 C ATOM 847 O ASP A 61 -13.579 -10.131 4.378 1.00 0.00 O ATOM 848 CB ASP A 61 -14.681 -11.744 2.374 1.00 0.00 C ATOM 849 CG ASP A 61 -16.152 -12.107 2.315 1.00 0.00 C ATOM 850 OD1 ASP A 61 -16.885 -11.488 1.514 1.00 0.00 O ATOM 851 OD2 ASP A 61 -16.573 -13.010 3.069 1.00 0.00 O ATOM 0 H ASP A 61 -13.036 -10.596 0.621 1.00 0.00 H new ATOM 0 HA ASP A 61 -15.394 -9.725 2.185 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -14.137 -12.319 1.625 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -14.278 -12.026 3.347 1.00 0.00 H new ATOM 856 N LYS A 62 -12.705 -8.713 2.867 1.00 0.00 N ATOM 857 CA LYS A 62 -11.788 -8.094 3.816 1.00 0.00 C ATOM 858 C LYS A 62 -11.327 -6.729 3.314 1.00 0.00 C ATOM 859 O LYS A 62 -11.025 -6.561 2.132 1.00 0.00 O ATOM 860 CB LYS A 62 -10.579 -8.999 4.054 1.00 0.00 C ATOM 861 CG LYS A 62 -10.117 -9.028 5.502 1.00 0.00 C ATOM 862 CD LYS A 62 -8.658 -9.441 5.615 1.00 0.00 C ATOM 863 CE LYS A 62 -8.432 -10.373 6.793 1.00 0.00 C ATOM 864 NZ LYS A 62 -8.981 -11.734 6.538 1.00 0.00 N ATOM 0 H LYS A 62 -12.652 -8.334 1.921 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.318 -7.955 4.758 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.827 -10.013 3.740 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.755 -8.663 3.425 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.253 -8.043 5.948 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.737 -9.722 6.069 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.346 -9.935 4.694 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.035 -8.553 5.727 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.364 -10.445 6.999 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.901 -9.953 7.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.621 -12.394 7.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.019 -11.704 6.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.686 -12.056 5.594 1.00 0.00 H new ATOM 878 N ARG A 63 -11.273 -5.757 4.219 1.00 0.00 N ATOM 879 CA ARG A 63 -10.847 -4.408 3.866 1.00 0.00 C ATOM 880 C ARG A 63 -9.518 -4.065 4.531 1.00 0.00 C ATOM 881 O ARG A 63 -9.218 -4.542 5.625 1.00 0.00 O ATOM 882 CB ARG A 63 -11.914 -3.389 4.273 1.00 0.00 C ATOM 883 CG ARG A 63 -12.108 -3.280 5.778 1.00 0.00 C ATOM 884 CD ARG A 63 -13.468 -3.810 6.207 1.00 0.00 C ATOM 885 NE ARG A 63 -13.387 -4.597 7.434 1.00 0.00 N ATOM 886 CZ ARG A 63 -14.325 -5.457 7.827 1.00 0.00 C ATOM 887 NH1 ARG A 63 -15.415 -5.642 7.093 1.00 0.00 N ATOM 888 NH2 ARG A 63 -14.170 -6.134 8.957 1.00 0.00 N ATOM 0 H ARG A 63 -11.519 -5.878 5.201 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.712 -4.368 2.785 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -11.640 -2.411 3.878 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -12.862 -3.664 3.812 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -11.322 -3.837 6.288 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -12.010 -2.238 6.084 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -14.152 -2.974 6.357 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -13.886 -4.424 5.409 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.564 -4.481 8.025 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -15.538 -5.124 6.223 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -16.130 -6.302 7.399 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.333 -5.996 9.524 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -14.888 -6.793 9.259 1.00 0.00 H new ATOM 902 N TYR A 64 -8.724 -3.236 3.861 1.00 0.00 N ATOM 903 CA TYR A 64 -7.425 -2.828 4.386 1.00 0.00 C ATOM 904 C TYR A 64 -7.390 -1.328 4.680 1.00 0.00 C ATOM 905 O TYR A 64 -6.453 -0.835 5.306 1.00 0.00 O ATOM 906 CB TYR A 64 -6.318 -3.190 3.396 1.00 0.00 C ATOM 907 CG TYR A 64 -6.425 -4.597 2.856 1.00 0.00 C ATOM 908 CD1 TYR A 64 -5.891 -5.673 3.555 1.00 0.00 C ATOM 909 CD2 TYR A 64 -7.060 -4.851 1.647 1.00 0.00 C ATOM 910 CE1 TYR A 64 -5.987 -6.962 3.065 1.00 0.00 C ATOM 911 CE2 TYR A 64 -7.162 -6.137 1.150 1.00 0.00 C ATOM 912 CZ TYR A 64 -6.623 -7.188 1.862 1.00 0.00 C ATOM 913 OH TYR A 64 -6.721 -8.470 1.371 1.00 0.00 O ATOM 0 H TYR A 64 -8.957 -2.833 2.953 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.261 -3.362 5.322 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.343 -2.487 2.563 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -5.351 -3.070 3.885 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.392 -5.499 4.497 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -7.481 -4.030 1.086 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -5.567 -7.787 3.621 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.661 -6.318 0.209 1.00 0.00 H new ATOM 0 HH TYR A 64 -7.198 -8.457 0.515 1.00 0.00 H new ATOM 923 N PHE A 65 -8.412 -0.607 4.225 1.00 0.00 N ATOM 924 CA PHE A 65 -8.484 0.833 4.444 1.00 0.00 C ATOM 925 C PHE A 65 -9.902 1.348 4.213 1.00 0.00 C ATOM 926 O PHE A 65 -10.702 0.707 3.532 1.00 0.00 O ATOM 927 CB PHE A 65 -7.508 1.560 3.518 1.00 0.00 C ATOM 928 CG PHE A 65 -7.605 1.128 2.083 1.00 0.00 C ATOM 929 CD1 PHE A 65 -6.906 0.021 1.630 1.00 0.00 C ATOM 930 CD2 PHE A 65 -8.399 1.829 1.187 1.00 0.00 C ATOM 931 CE1 PHE A 65 -6.995 -0.380 0.310 1.00 0.00 C ATOM 932 CE2 PHE A 65 -8.491 1.432 -0.134 1.00 0.00 C ATOM 933 CZ PHE A 65 -7.788 0.327 -0.573 1.00 0.00 C ATOM 0 H PHE A 65 -9.198 -0.996 3.704 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.208 1.032 5.480 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.693 2.632 3.579 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.491 1.391 3.871 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.284 -0.535 2.316 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.951 2.694 1.525 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.445 -1.245 -0.031 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.112 1.986 -0.822 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.858 0.016 -1.605 1.00 0.00 H new ATOM 943 N THR A 66 -10.204 2.511 4.783 1.00 0.00 N ATOM 944 CA THR A 66 -11.525 3.112 4.639 1.00 0.00 C ATOM 945 C THR A 66 -11.461 4.359 3.763 1.00 0.00 C ATOM 946 O THR A 66 -10.549 5.176 3.893 1.00 0.00 O ATOM 947 CB THR A 66 -12.100 3.467 6.010 1.00 0.00 C ATOM 948 OG1 THR A 66 -11.907 2.403 6.925 1.00 0.00 O ATOM 949 CG2 THR A 66 -13.580 3.782 5.977 1.00 0.00 C ATOM 0 H THR A 66 -9.552 3.055 5.348 1.00 0.00 H new ATOM 0 HA THR A 66 -12.178 2.384 4.158 1.00 0.00 H new ATOM 0 HB THR A 66 -11.563 4.362 6.325 1.00 0.00 H new ATOM 0 HG1 THR A 66 -12.280 2.650 7.797 1.00 0.00 H new ATOM 0 HG21 THR A 66 -13.923 4.025 6.983 1.00 0.00 H new ATOM 0 HG22 THR A 66 -13.756 4.632 5.318 1.00 0.00 H new ATOM 0 HG23 THR A 66 -14.128 2.916 5.607 1.00 0.00 H new ATOM 957 N CYS A 67 -12.437 4.500 2.871 1.00 0.00 N ATOM 958 CA CYS A 67 -12.492 5.649 1.974 1.00 0.00 C ATOM 959 C CYS A 67 -13.749 5.608 1.112 1.00 0.00 C ATOM 960 O CYS A 67 -14.547 4.674 1.206 1.00 0.00 O ATOM 961 CB CYS A 67 -11.250 5.685 1.081 1.00 0.00 C ATOM 962 SG CYS A 67 -10.924 4.136 0.206 1.00 0.00 S ATOM 0 H CYS A 67 -13.200 3.834 2.750 1.00 0.00 H new ATOM 0 HA CYS A 67 -12.521 6.552 2.584 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -11.364 6.485 0.350 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -10.383 5.934 1.693 1.00 0.00 H new ATOM 0 HG CYS A 67 -11.695 4.057 -0.838 1.00 0.00 H new ATOM 968 N LYS A 68 -13.921 6.625 0.274 1.00 0.00 N ATOM 969 CA LYS A 68 -15.082 6.704 -0.604 1.00 0.00 C ATOM 970 C LYS A 68 -14.890 5.828 -1.840 1.00 0.00 C ATOM 971 O LYS A 68 -13.793 5.332 -2.096 1.00 0.00 O ATOM 972 CB LYS A 68 -15.332 8.155 -1.024 1.00 0.00 C ATOM 973 CG LYS A 68 -16.377 8.862 -0.176 1.00 0.00 C ATOM 974 CD LYS A 68 -16.881 10.126 -0.852 1.00 0.00 C ATOM 975 CE LYS A 68 -17.479 11.096 0.154 1.00 0.00 C ATOM 976 NZ LYS A 68 -18.966 11.028 0.177 1.00 0.00 N ATOM 0 H LYS A 68 -13.271 7.406 0.185 1.00 0.00 H new ATOM 0 HA LYS A 68 -15.949 6.339 -0.054 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.394 8.708 -0.966 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -15.649 8.173 -2.067 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -17.214 8.188 0.008 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -15.950 9.113 0.795 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -16.059 10.609 -1.381 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -17.631 9.866 -1.599 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -17.090 10.873 1.148 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -17.166 12.111 -0.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -19.334 11.705 0.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -19.339 11.265 -0.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -19.266 10.066 0.436 1.00 0.00 H new ATOM 990 N PRO A 69 -15.962 5.626 -2.627 1.00 0.00 N ATOM 991 CA PRO A 69 -15.908 4.805 -3.840 1.00 0.00 C ATOM 992 C PRO A 69 -14.797 5.246 -4.787 1.00 0.00 C ATOM 993 O PRO A 69 -14.752 6.400 -5.211 1.00 0.00 O ATOM 994 CB PRO A 69 -17.279 5.025 -4.485 1.00 0.00 C ATOM 995 CG PRO A 69 -18.170 5.414 -3.358 1.00 0.00 C ATOM 996 CD PRO A 69 -17.309 6.181 -2.394 1.00 0.00 C ATOM 0 HA PRO A 69 -15.694 3.760 -3.614 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -17.238 5.805 -5.245 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -17.635 4.120 -4.977 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -19.001 6.025 -3.711 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -18.602 4.534 -2.881 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -17.342 7.253 -2.590 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -17.631 6.035 -1.363 1.00 0.00 H new ATOM 1004 N ASN A 70 -13.902 4.320 -5.115 1.00 0.00 N ATOM 1005 CA ASN A 70 -12.791 4.614 -6.012 1.00 0.00 C ATOM 1006 C ASN A 70 -11.897 5.705 -5.431 1.00 0.00 C ATOM 1007 O ASN A 70 -11.784 6.795 -5.991 1.00 0.00 O ATOM 1008 CB ASN A 70 -13.316 5.041 -7.385 1.00 0.00 C ATOM 1009 CG ASN A 70 -13.508 3.864 -8.322 1.00 0.00 C ATOM 1010 OD1 ASN A 70 -13.184 2.727 -7.984 1.00 0.00 O ATOM 1011 ND2 ASN A 70 -14.039 4.135 -9.509 1.00 0.00 N ATOM 0 H ASN A 70 -13.925 3.359 -4.773 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.197 3.707 -6.126 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -14.265 5.563 -7.262 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.619 5.749 -7.833 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.193 3.384 -10.182 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -14.293 5.094 -9.747 1.00 0.00 H new ATOM 1018 N TYR A 71 -11.261 5.402 -4.303 1.00 0.00 N ATOM 1019 CA TYR A 71 -10.377 6.355 -3.644 1.00 0.00 C ATOM 1020 C TYR A 71 -8.993 5.751 -3.427 1.00 0.00 C ATOM 1021 O TYR A 71 -7.996 6.258 -3.942 1.00 0.00 O ATOM 1022 CB TYR A 71 -10.972 6.793 -2.305 1.00 0.00 C ATOM 1023 CG TYR A 71 -11.715 8.109 -2.372 1.00 0.00 C ATOM 1024 CD1 TYR A 71 -12.736 8.305 -3.293 1.00 0.00 C ATOM 1025 CD2 TYR A 71 -11.393 9.155 -1.517 1.00 0.00 C ATOM 1026 CE1 TYR A 71 -13.416 9.506 -3.360 1.00 0.00 C ATOM 1027 CE2 TYR A 71 -12.070 10.359 -1.576 1.00 0.00 C ATOM 1028 CZ TYR A 71 -13.080 10.529 -2.499 1.00 0.00 C ATOM 1029 OH TYR A 71 -13.755 11.726 -2.562 1.00 0.00 O ATOM 0 H TYR A 71 -11.342 4.504 -3.827 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.276 7.227 -4.290 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.652 6.019 -1.949 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.171 6.875 -1.571 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -13.003 7.505 -3.968 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.601 9.026 -0.794 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.207 9.643 -4.083 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.809 11.162 -0.903 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.397 12.339 -1.887 1.00 0.00 H new ATOM 1039 N GLY A 72 -8.940 4.667 -2.662 1.00 0.00 N ATOM 1040 CA GLY A 72 -7.674 4.012 -2.390 1.00 0.00 C ATOM 1041 C GLY A 72 -7.382 2.888 -3.366 1.00 0.00 C ATOM 1042 O GLY A 72 -8.286 2.386 -4.034 1.00 0.00 O ATOM 0 H GLY A 72 -9.751 4.230 -2.225 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -6.871 4.747 -2.436 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.685 3.615 -1.375 1.00 0.00 H new ATOM 1046 N VAL A 73 -6.115 2.493 -3.447 1.00 0.00 N ATOM 1047 CA VAL A 73 -5.706 1.421 -4.347 1.00 0.00 C ATOM 1048 C VAL A 73 -4.783 0.434 -3.641 1.00 0.00 C ATOM 1049 O VAL A 73 -4.465 0.599 -2.464 1.00 0.00 O ATOM 1050 CB VAL A 73 -4.988 1.977 -5.592 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -5.973 2.693 -6.502 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -3.856 2.907 -5.184 1.00 0.00 C ATOM 0 H VAL A 73 -5.355 2.899 -2.901 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.614 0.906 -4.660 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.560 1.141 -6.145 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.447 3.079 -7.375 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -6.746 1.995 -6.823 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.433 3.520 -5.961 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.360 3.290 -6.076 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.259 3.739 -4.607 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.136 2.359 -4.576 1.00 0.00 H new ATOM 1062 N LEU A 74 -4.355 -0.593 -4.368 1.00 0.00 N ATOM 1063 CA LEU A 74 -3.468 -1.606 -3.810 1.00 0.00 C ATOM 1064 C LEU A 74 -2.278 -1.855 -4.732 1.00 0.00 C ATOM 1065 O LEU A 74 -2.446 -2.246 -5.887 1.00 0.00 O ATOM 1066 CB LEU A 74 -4.230 -2.912 -3.578 1.00 0.00 C ATOM 1067 CG LEU A 74 -4.942 -3.013 -2.226 1.00 0.00 C ATOM 1068 CD1 LEU A 74 -6.417 -2.678 -2.372 1.00 0.00 C ATOM 1069 CD2 LEU A 74 -4.765 -4.404 -1.633 1.00 0.00 C ATOM 0 H LEU A 74 -4.608 -0.745 -5.344 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.094 -1.238 -2.855 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.969 -3.030 -4.371 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.531 -3.744 -3.667 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.493 -2.289 -1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.906 -2.755 -1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.523 -1.662 -2.752 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.881 -3.376 -3.068 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.277 -4.458 -0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.187 -5.145 -2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.704 -4.606 -1.490 1.00 0.00 H new ATOM 1081 N VAL A 75 -1.077 -1.630 -4.211 1.00 0.00 N ATOM 1082 CA VAL A 75 0.142 -1.831 -4.984 1.00 0.00 C ATOM 1083 C VAL A 75 1.230 -2.477 -4.133 1.00 0.00 C ATOM 1084 O VAL A 75 1.083 -2.612 -2.918 1.00 0.00 O ATOM 1085 CB VAL A 75 0.674 -0.503 -5.554 1.00 0.00 C ATOM 1086 CG1 VAL A 75 -0.167 -0.056 -6.740 1.00 0.00 C ATOM 1087 CG2 VAL A 75 0.701 0.570 -4.475 1.00 0.00 C ATOM 0 H VAL A 75 -0.922 -1.308 -3.256 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.114 -2.494 -5.810 1.00 0.00 H new ATOM 0 HB VAL A 75 1.695 -0.661 -5.901 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.224 0.884 -7.130 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.129 -0.816 -7.520 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.200 0.085 -6.421 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.080 1.501 -4.897 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.308 0.728 -4.094 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.350 0.250 -3.660 1.00 0.00 H new ATOM 1097 N ARG A 76 2.321 -2.876 -4.777 1.00 0.00 N ATOM 1098 CA ARG A 76 3.433 -3.509 -4.077 1.00 0.00 C ATOM 1099 C ARG A 76 4.554 -2.507 -3.815 1.00 0.00 C ATOM 1100 O ARG A 76 4.732 -1.553 -4.569 1.00 0.00 O ATOM 1101 CB ARG A 76 3.968 -4.691 -4.888 1.00 0.00 C ATOM 1102 CG ARG A 76 2.901 -5.709 -5.258 1.00 0.00 C ATOM 1103 CD ARG A 76 3.231 -6.420 -6.561 1.00 0.00 C ATOM 1104 NE ARG A 76 3.181 -7.874 -6.420 1.00 0.00 N ATOM 1105 CZ ARG A 76 3.077 -8.715 -7.446 1.00 0.00 C ATOM 1106 NH1 ARG A 76 3.011 -8.252 -8.689 1.00 0.00 N ATOM 1107 NH2 ARG A 76 3.038 -10.022 -7.230 1.00 0.00 N ATOM 0 H ARG A 76 2.459 -2.773 -5.782 1.00 0.00 H new ATOM 0 HA ARG A 76 3.065 -3.873 -3.118 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.431 -4.315 -5.800 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.750 -5.189 -4.315 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.804 -6.442 -4.457 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.937 -5.209 -5.350 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.528 -6.106 -7.333 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.225 -6.122 -6.895 1.00 0.00 H new ATOM 0 HE ARG A 76 3.229 -8.267 -5.480 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.040 -7.247 -8.861 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.931 -8.901 -9.472 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.088 -10.383 -6.277 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.958 -10.667 -8.016 1.00 0.00 H new ATOM 1121 N PRO A 77 5.326 -2.716 -2.730 1.00 0.00 N ATOM 1122 CA PRO A 77 6.435 -1.830 -2.373 1.00 0.00 C ATOM 1123 C PRO A 77 7.293 -1.502 -3.584 1.00 0.00 C ATOM 1124 O PRO A 77 7.563 -0.340 -3.877 1.00 0.00 O ATOM 1125 CB PRO A 77 7.224 -2.650 -1.354 1.00 0.00 C ATOM 1126 CG PRO A 77 6.205 -3.529 -0.713 1.00 0.00 C ATOM 1127 CD PRO A 77 5.182 -3.833 -1.776 1.00 0.00 C ATOM 0 HA PRO A 77 6.099 -0.868 -1.985 1.00 0.00 H new ATOM 0 HB2 PRO A 77 8.007 -3.236 -1.836 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.712 -2.008 -0.621 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.662 -4.445 -0.339 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.744 -3.032 0.140 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.374 -4.794 -2.253 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.175 -3.878 -1.361 1.00 0.00 H new ATOM 1135 N SER A 78 7.700 -2.546 -4.301 1.00 0.00 N ATOM 1136 CA SER A 78 8.502 -2.375 -5.500 1.00 0.00 C ATOM 1137 C SER A 78 7.784 -1.446 -6.470 1.00 0.00 C ATOM 1138 O SER A 78 8.410 -0.814 -7.322 1.00 0.00 O ATOM 1139 CB SER A 78 8.771 -3.726 -6.164 1.00 0.00 C ATOM 1140 OG SER A 78 8.822 -4.767 -5.203 1.00 0.00 O ATOM 0 H SER A 78 7.486 -3.516 -4.070 1.00 0.00 H new ATOM 0 HA SER A 78 9.459 -1.933 -5.223 1.00 0.00 H new ATOM 0 HB2 SER A 78 7.989 -3.938 -6.893 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.713 -3.685 -6.710 1.00 0.00 H new ATOM 0 HG SER A 78 8.993 -5.620 -5.654 1.00 0.00 H new ATOM 1146 N ARG A 79 6.462 -1.358 -6.322 1.00 0.00 N ATOM 1147 CA ARG A 79 5.658 -0.494 -7.173 1.00 0.00 C ATOM 1148 C ARG A 79 5.505 0.892 -6.551 1.00 0.00 C ATOM 1149 O ARG A 79 5.023 1.820 -7.202 1.00 0.00 O ATOM 1150 CB ARG A 79 4.280 -1.115 -7.411 1.00 0.00 C ATOM 1151 CG ARG A 79 4.333 -2.570 -7.849 1.00 0.00 C ATOM 1152 CD ARG A 79 3.917 -2.732 -9.302 1.00 0.00 C ATOM 1153 NE ARG A 79 2.501 -2.433 -9.504 1.00 0.00 N ATOM 1154 CZ ARG A 79 1.803 -2.832 -10.564 1.00 0.00 C ATOM 1155 NH1 ARG A 79 2.383 -3.545 -11.521 1.00 0.00 N ATOM 1156 NH2 ARG A 79 0.519 -2.516 -10.668 1.00 0.00 N ATOM 0 H ARG A 79 5.930 -1.875 -5.621 1.00 0.00 H new ATOM 0 HA ARG A 79 6.170 -0.389 -8.129 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.695 -1.042 -6.494 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.756 -0.535 -8.171 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.344 -2.955 -7.714 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.678 -3.166 -7.214 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.519 -2.073 -9.927 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.122 -3.752 -9.626 1.00 0.00 H new ATOM 0 HE ARG A 79 2.019 -1.886 -8.790 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.370 -3.791 -11.447 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.842 -3.847 -12.331 1.00 0.00 H new ATOM 0 HH21 ARG A 79 0.068 -1.968 -9.936 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -0.017 -2.821 -11.480 1.00 0.00 H new ATOM 1170 N VAL A 80 5.915 1.034 -5.288 1.00 0.00 N ATOM 1171 CA VAL A 80 5.810 2.320 -4.601 1.00 0.00 C ATOM 1172 C VAL A 80 7.119 2.699 -3.916 1.00 0.00 C ATOM 1173 O VAL A 80 7.655 1.942 -3.109 1.00 0.00 O ATOM 1174 CB VAL A 80 4.683 2.309 -3.552 1.00 0.00 C ATOM 1175 CG1 VAL A 80 3.322 2.314 -4.231 1.00 0.00 C ATOM 1176 CG2 VAL A 80 4.821 1.111 -2.627 1.00 0.00 C ATOM 0 H VAL A 80 6.318 0.283 -4.727 1.00 0.00 H new ATOM 0 HA VAL A 80 5.580 3.061 -5.367 1.00 0.00 H new ATOM 0 HB VAL A 80 4.767 3.213 -2.949 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.538 2.306 -3.474 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.225 3.210 -4.845 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.227 1.430 -4.861 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.015 1.123 -1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.767 0.192 -3.211 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.781 1.158 -2.112 1.00 0.00 H new ATOM 1186 N THR A 81 7.627 3.884 -4.241 1.00 0.00 N ATOM 1187 CA THR A 81 8.872 4.370 -3.656 1.00 0.00 C ATOM 1188 C THR A 81 8.616 5.579 -2.762 1.00 0.00 C ATOM 1189 O THR A 81 7.784 6.431 -3.075 1.00 0.00 O ATOM 1190 CB THR A 81 9.868 4.738 -4.757 1.00 0.00 C ATOM 1191 OG1 THR A 81 9.946 3.708 -5.728 1.00 0.00 O ATOM 1192 CG2 THR A 81 11.268 4.986 -4.239 1.00 0.00 C ATOM 0 H THR A 81 7.196 4.525 -4.906 1.00 0.00 H new ATOM 0 HA THR A 81 9.294 3.571 -3.046 1.00 0.00 H new ATOM 0 HB THR A 81 9.489 5.663 -5.191 1.00 0.00 H new ATOM 0 HG1 THR A 81 10.587 3.963 -6.424 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.924 5.242 -5.071 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.251 5.808 -3.524 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.639 4.086 -3.748 1.00 0.00 H new