USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=16 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 :FLIP amide:sc= 0.763 F(o=-0.085,f=1.7) USER MOD Set 1.2: A 29 THR OG1 : rot -44:sc= 0.975 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0299 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 : amide:sc= -0.124 X(o=-0.12,f=-0.0026) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -138:sc= 0.312 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= -0.155 K(o=-0.16,f=-1.4) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot -54:sc= -1.64! USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot -108:sc= -0.2 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.374 K(o=-0.37,f=-2.5!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N LEU A 13 7.670 -0.366 6.040 1.00 0.00 N ATOM 143 CA LEU A 13 6.653 0.567 6.512 1.00 0.00 C ATOM 144 C LEU A 13 5.974 0.040 7.772 1.00 0.00 C ATOM 145 O LEU A 13 6.338 -1.016 8.290 1.00 0.00 O ATOM 146 CB LEU A 13 5.609 0.814 5.421 1.00 0.00 C ATOM 147 CG LEU A 13 6.169 1.327 4.093 1.00 0.00 C ATOM 148 CD1 LEU A 13 5.158 1.127 2.976 1.00 0.00 C ATOM 149 CD2 LEU A 13 6.555 2.793 4.210 1.00 0.00 C ATOM 0 HA LEU A 13 7.145 1.509 6.753 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.072 -0.116 5.236 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.880 1.534 5.793 1.00 0.00 H new ATOM 0 HG LEU A 13 7.064 0.754 3.851 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.573 1.498 2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.930 0.066 2.877 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.245 1.674 3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.952 3.142 3.257 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.676 3.381 4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.315 2.909 4.983 1.00 0.00 H new ATOM 161 N HIS A 14 4.984 0.780 8.259 1.00 0.00 N ATOM 162 CA HIS A 14 4.254 0.386 9.458 1.00 0.00 C ATOM 163 C HIS A 14 2.904 1.093 9.530 1.00 0.00 C ATOM 164 O HIS A 14 2.426 1.432 10.614 1.00 0.00 O ATOM 165 CB HIS A 14 5.078 0.700 10.709 1.00 0.00 C ATOM 166 CG HIS A 14 5.255 -0.476 11.619 1.00 0.00 C ATOM 167 ND1 HIS A 14 6.477 -0.915 12.077 1.00 0.00 N ATOM 168 CD2 HIS A 14 4.332 -1.311 12.159 1.00 0.00 C ATOM 169 CE1 HIS A 14 6.265 -1.979 12.862 1.00 0.00 C ATOM 170 NE2 HIS A 14 4.978 -2.261 12.945 1.00 0.00 N ATOM 0 H HIS A 14 4.669 1.656 7.842 1.00 0.00 H new ATOM 0 HA HIS A 14 4.078 -0.689 9.410 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.059 1.065 10.406 1.00 0.00 H new ATOM 0 HB3 HIS A 14 4.594 1.506 11.260 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.265 -1.249 12.004 1.00 0.00 H new ATOM 0 HE1 HIS A 14 7.045 -2.534 13.362 1.00 0.00 H new ATOM 0 HE2 HIS A 14 4.546 -3.018 13.475 1.00 0.00 H new ATOM 178 N GLU A 15 2.294 1.312 8.370 1.00 0.00 N ATOM 179 CA GLU A 15 0.998 1.979 8.301 1.00 0.00 C ATOM 180 C GLU A 15 1.078 3.387 8.881 1.00 0.00 C ATOM 181 O GLU A 15 1.250 3.564 10.086 1.00 0.00 O ATOM 182 CB GLU A 15 -0.058 1.165 9.052 1.00 0.00 C ATOM 183 CG GLU A 15 -0.166 -0.275 8.580 1.00 0.00 C ATOM 184 CD GLU A 15 -0.591 -1.221 9.686 1.00 0.00 C ATOM 185 OE1 GLU A 15 -0.103 -1.059 10.824 1.00 0.00 O ATOM 186 OE2 GLU A 15 -1.413 -2.121 9.414 1.00 0.00 O ATOM 0 H GLU A 15 2.676 1.038 7.465 1.00 0.00 H new ATOM 0 HA GLU A 15 0.712 2.054 7.252 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.178 1.173 10.116 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.028 1.650 8.937 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.884 -0.332 7.762 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.797 -0.596 8.182 1.00 0.00 H new ATOM 193 N GLY A 16 0.954 4.386 8.013 1.00 0.00 N ATOM 194 CA GLY A 16 1.014 5.767 8.457 1.00 0.00 C ATOM 195 C GLY A 16 2.191 6.516 7.863 1.00 0.00 C ATOM 196 O GLY A 16 2.782 7.377 8.516 1.00 0.00 O ATOM 0 H GLY A 16 0.813 4.264 7.010 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.089 6.274 8.183 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.082 5.793 9.545 1.00 0.00 H new ATOM 200 N SER A 17 2.534 6.187 6.622 1.00 0.00 N ATOM 201 CA SER A 17 3.649 6.834 5.939 1.00 0.00 C ATOM 202 C SER A 17 3.244 7.277 4.537 1.00 0.00 C ATOM 203 O SER A 17 2.184 6.899 4.037 1.00 0.00 O ATOM 204 CB SER A 17 4.848 5.886 5.865 1.00 0.00 C ATOM 205 OG SER A 17 5.849 6.255 6.798 1.00 0.00 O ATOM 0 H SER A 17 2.056 5.476 6.068 1.00 0.00 H new ATOM 0 HA SER A 17 3.931 7.718 6.511 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.521 4.865 6.063 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.263 5.898 4.857 1.00 0.00 H new ATOM 0 HG SER A 17 6.603 5.633 6.732 1.00 0.00 H new ATOM 211 N GLN A 18 4.095 8.081 3.908 1.00 0.00 N ATOM 212 CA GLN A 18 3.826 8.577 2.563 1.00 0.00 C ATOM 213 C GLN A 18 4.603 7.776 1.523 1.00 0.00 C ATOM 214 O GLN A 18 5.723 7.334 1.775 1.00 0.00 O ATOM 215 CB GLN A 18 4.193 10.058 2.459 1.00 0.00 C ATOM 216 CG GLN A 18 3.308 10.965 3.298 1.00 0.00 C ATOM 217 CD GLN A 18 1.930 11.155 2.692 1.00 0.00 C ATOM 218 OE1 GLN A 18 1.052 10.181 2.899 1.00 0.00 O flip ATOM 219 NE2 GLN A 18 1.659 12.167 2.045 1.00 0.00 N flip ATOM 0 H GLN A 18 4.976 8.403 4.308 1.00 0.00 H new ATOM 0 HA GLN A 18 2.760 8.459 2.366 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.230 10.189 2.768 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.130 10.367 1.416 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.207 10.544 4.298 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.790 11.936 3.408 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.365 12.891 1.911 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.728 12.282 1.643 1.00 0.00 H new ATOM 228 N VAL A 19 4.000 7.593 0.352 1.00 0.00 N ATOM 229 CA VAL A 19 4.636 6.847 -0.726 1.00 0.00 C ATOM 230 C VAL A 19 4.232 7.400 -2.089 1.00 0.00 C ATOM 231 O VAL A 19 3.297 8.195 -2.194 1.00 0.00 O ATOM 232 CB VAL A 19 4.274 5.351 -0.666 1.00 0.00 C ATOM 233 CG1 VAL A 19 4.928 4.690 0.538 1.00 0.00 C ATOM 234 CG2 VAL A 19 2.764 5.168 -0.629 1.00 0.00 C ATOM 0 H VAL A 19 3.072 7.951 0.127 1.00 0.00 H new ATOM 0 HA VAL A 19 5.712 6.958 -0.594 1.00 0.00 H new ATOM 0 HB VAL A 19 4.654 4.868 -1.567 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.660 3.634 0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.011 4.788 0.463 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.582 5.174 1.451 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.527 4.105 -0.587 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.359 5.665 0.252 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.323 5.603 -1.526 1.00 0.00 H new ATOM 244 N LEU A 20 4.941 6.974 -3.128 1.00 0.00 N ATOM 245 CA LEU A 20 4.656 7.429 -4.485 1.00 0.00 C ATOM 246 C LEU A 20 4.581 6.248 -5.449 1.00 0.00 C ATOM 247 O LEU A 20 5.357 5.299 -5.344 1.00 0.00 O ATOM 248 CB LEU A 20 5.728 8.416 -4.952 1.00 0.00 C ATOM 249 CG LEU A 20 5.371 9.211 -6.208 1.00 0.00 C ATOM 250 CD1 LEU A 20 4.133 10.061 -5.968 1.00 0.00 C ATOM 251 CD2 LEU A 20 6.543 10.081 -6.637 1.00 0.00 C ATOM 0 H LEU A 20 5.716 6.315 -3.058 1.00 0.00 H new ATOM 0 HA LEU A 20 3.689 7.932 -4.477 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.933 9.117 -4.143 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.650 7.866 -5.138 1.00 0.00 H new ATOM 0 HG LEU A 20 5.152 8.507 -7.011 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.894 10.620 -6.873 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.294 9.416 -5.708 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.323 10.757 -5.151 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.272 10.640 -7.533 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.792 10.777 -5.836 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.406 9.450 -6.850 1.00 0.00 H new ATOM 263 N LEU A 21 3.641 6.315 -6.385 1.00 0.00 N ATOM 264 CA LEU A 21 3.464 5.251 -7.367 1.00 0.00 C ATOM 265 C LEU A 21 4.319 5.504 -8.604 1.00 0.00 C ATOM 266 O LEU A 21 4.581 6.651 -8.965 1.00 0.00 O ATOM 267 CB LEU A 21 1.991 5.136 -7.764 1.00 0.00 C ATOM 268 CG LEU A 21 0.999 5.206 -6.602 1.00 0.00 C ATOM 269 CD1 LEU A 21 -0.418 5.394 -7.120 1.00 0.00 C ATOM 270 CD2 LEU A 21 1.093 3.953 -5.745 1.00 0.00 C ATOM 0 H LEU A 21 2.990 7.094 -6.485 1.00 0.00 H new ATOM 0 HA LEU A 21 3.785 4.314 -6.913 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.757 5.933 -8.469 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.845 4.192 -8.290 1.00 0.00 H new ATOM 0 HG LEU A 21 1.254 6.066 -5.983 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.110 5.442 -6.279 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.477 6.321 -7.691 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.685 4.555 -7.762 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.380 4.020 -4.923 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.864 3.078 -6.353 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.102 3.862 -5.343 1.00 0.00 H new ATOM 282 N THR A 22 4.750 4.425 -9.249 1.00 0.00 N ATOM 283 CA THR A 22 5.576 4.529 -10.446 1.00 0.00 C ATOM 284 C THR A 22 4.749 4.276 -11.703 1.00 0.00 C ATOM 285 O THR A 22 5.257 3.761 -12.698 1.00 0.00 O ATOM 286 CB THR A 22 6.739 3.538 -10.377 1.00 0.00 C ATOM 287 OG1 THR A 22 6.372 2.386 -9.638 1.00 0.00 O ATOM 288 CG2 THR A 22 7.982 4.117 -9.739 1.00 0.00 C ATOM 0 H THR A 22 4.541 3.469 -8.963 1.00 0.00 H new ATOM 0 HA THR A 22 5.975 5.542 -10.494 1.00 0.00 H new ATOM 0 HB THR A 22 6.967 3.287 -11.413 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.128 1.763 -9.606 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.768 3.362 -9.722 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.319 4.978 -10.315 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.756 4.429 -8.719 1.00 0.00 H new ATOM 296 N SER A 23 3.473 4.641 -11.648 1.00 0.00 N ATOM 297 CA SER A 23 2.575 4.453 -12.782 1.00 0.00 C ATOM 298 C SER A 23 1.670 5.667 -12.964 1.00 0.00 C ATOM 299 O SER A 23 1.514 6.177 -14.074 1.00 0.00 O ATOM 300 CB SER A 23 1.727 3.195 -12.585 1.00 0.00 C ATOM 301 OG SER A 23 2.452 2.031 -12.943 1.00 0.00 O ATOM 0 H SER A 23 3.037 5.069 -10.831 1.00 0.00 H new ATOM 0 HA SER A 23 3.182 4.336 -13.680 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.411 3.125 -11.544 1.00 0.00 H new ATOM 0 HB3 SER A 23 0.822 3.264 -13.189 1.00 0.00 H new ATOM 0 HG SER A 23 1.889 1.240 -12.807 1.00 0.00 H new ATOM 307 N SER A 24 1.075 6.125 -11.867 1.00 0.00 N ATOM 308 CA SER A 24 0.185 7.280 -11.904 1.00 0.00 C ATOM 309 C SER A 24 0.899 8.543 -11.426 1.00 0.00 C ATOM 310 O SER A 24 0.427 9.656 -11.658 1.00 0.00 O ATOM 311 CB SER A 24 -1.051 7.023 -11.041 1.00 0.00 C ATOM 312 OG SER A 24 -2.103 6.464 -11.809 1.00 0.00 O ATOM 0 H SER A 24 1.193 5.714 -10.941 1.00 0.00 H new ATOM 0 HA SER A 24 -0.124 7.433 -12.938 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.794 6.348 -10.225 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.383 7.958 -10.589 1.00 0.00 H new ATOM 0 HG SER A 24 -2.881 6.308 -11.234 1.00 0.00 H new ATOM 318 N ASN A 25 2.037 8.366 -10.758 1.00 0.00 N ATOM 319 CA ASN A 25 2.808 9.495 -10.250 1.00 0.00 C ATOM 320 C ASN A 25 1.997 10.296 -9.238 1.00 0.00 C ATOM 321 O ASN A 25 2.027 11.526 -9.235 1.00 0.00 O ATOM 322 CB ASN A 25 3.251 10.400 -11.402 1.00 0.00 C ATOM 323 CG ASN A 25 4.405 9.812 -12.189 1.00 0.00 C ATOM 324 OD1 ASN A 25 4.313 9.622 -13.402 1.00 0.00 O ATOM 325 ND2 ASN A 25 5.503 9.520 -11.500 1.00 0.00 N ATOM 0 H ASN A 25 2.444 7.453 -10.557 1.00 0.00 H new ATOM 0 HA ASN A 25 3.692 9.102 -9.749 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.408 10.570 -12.071 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.544 11.372 -11.005 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.313 9.122 -11.976 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.536 9.694 -10.495 1.00 0.00 H new ATOM 332 N GLU A 26 1.270 9.588 -8.378 1.00 0.00 N ATOM 333 CA GLU A 26 0.448 10.231 -7.359 1.00 0.00 C ATOM 334 C GLU A 26 0.776 9.683 -5.973 1.00 0.00 C ATOM 335 O GLU A 26 0.798 8.470 -5.763 1.00 0.00 O ATOM 336 CB GLU A 26 -1.036 10.024 -7.667 1.00 0.00 C ATOM 337 CG GLU A 26 -1.697 11.231 -8.311 1.00 0.00 C ATOM 338 CD GLU A 26 -2.414 12.111 -7.305 1.00 0.00 C ATOM 339 OE1 GLU A 26 -3.552 11.768 -6.921 1.00 0.00 O ATOM 340 OE2 GLU A 26 -1.836 13.141 -6.898 1.00 0.00 O ATOM 0 H GLU A 26 1.234 8.569 -8.367 1.00 0.00 H new ATOM 0 HA GLU A 26 0.667 11.299 -7.368 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.145 9.164 -8.328 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.560 9.783 -6.742 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.941 11.821 -8.830 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.409 10.892 -9.064 1.00 0.00 H new ATOM 347 N MET A 27 1.032 10.585 -5.032 1.00 0.00 N ATOM 348 CA MET A 27 1.359 10.193 -3.666 1.00 0.00 C ATOM 349 C MET A 27 0.160 9.544 -2.983 1.00 0.00 C ATOM 350 O MET A 27 -0.986 9.768 -3.373 1.00 0.00 O ATOM 351 CB MET A 27 1.822 11.408 -2.861 1.00 0.00 C ATOM 352 CG MET A 27 2.934 12.196 -3.534 1.00 0.00 C ATOM 353 SD MET A 27 2.996 13.914 -2.991 1.00 0.00 S ATOM 354 CE MET A 27 3.952 13.759 -1.484 1.00 0.00 C ATOM 0 H MET A 27 1.019 11.593 -5.190 1.00 0.00 H new ATOM 0 HA MET A 27 2.168 9.464 -3.709 1.00 0.00 H new ATOM 0 HB2 MET A 27 0.971 12.068 -2.693 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.165 11.075 -1.882 1.00 0.00 H new ATOM 0 HG2 MET A 27 3.891 11.718 -3.324 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.793 12.166 -4.614 1.00 0.00 H new ATOM 0 HE1 MET A 27 4.076 14.742 -1.029 1.00 0.00 H new ATOM 0 HE2 MET A 27 3.431 13.101 -0.789 1.00 0.00 H new ATOM 0 HE3 MET A 27 4.931 13.340 -1.716 1.00 0.00 H new ATOM 364 N ALA A 28 0.431 8.738 -1.962 1.00 0.00 N ATOM 365 CA ALA A 28 -0.625 8.055 -1.225 1.00 0.00 C ATOM 366 C ALA A 28 -0.167 7.695 0.184 1.00 0.00 C ATOM 367 O ALA A 28 1.029 7.562 0.443 1.00 0.00 O ATOM 368 CB ALA A 28 -1.070 6.808 -1.973 1.00 0.00 C ATOM 0 H ALA A 28 1.374 8.542 -1.626 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.473 8.735 -1.140 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.859 6.308 -1.411 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.447 7.089 -2.956 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.223 6.132 -2.089 1.00 0.00 H new ATOM 374 N THR A 29 -1.125 7.540 1.092 1.00 0.00 N ATOM 375 CA THR A 29 -0.820 7.195 2.474 1.00 0.00 C ATOM 376 C THR A 29 -0.954 5.697 2.706 1.00 0.00 C ATOM 377 O THR A 29 -1.850 5.051 2.162 1.00 0.00 O ATOM 378 CB THR A 29 -1.740 7.957 3.428 1.00 0.00 C ATOM 379 OG1 THR A 29 -1.643 9.354 3.213 1.00 0.00 O ATOM 380 CG2 THR A 29 -1.437 7.696 4.888 1.00 0.00 C ATOM 0 H THR A 29 -2.120 7.648 0.894 1.00 0.00 H new ATOM 0 HA THR A 29 0.213 7.481 2.672 1.00 0.00 H new ATOM 0 HB THR A 29 -2.744 7.593 3.210 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.701 9.605 3.110 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.126 8.267 5.510 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.553 6.633 5.099 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.413 8.000 5.107 1.00 0.00 H new ATOM 388 N VAL A 30 -0.056 5.149 3.518 1.00 0.00 N ATOM 389 CA VAL A 30 -0.073 3.726 3.822 1.00 0.00 C ATOM 390 C VAL A 30 -1.047 3.420 4.955 1.00 0.00 C ATOM 391 O VAL A 30 -0.953 3.996 6.039 1.00 0.00 O ATOM 392 CB VAL A 30 1.329 3.216 4.211 1.00 0.00 C ATOM 393 CG1 VAL A 30 1.322 1.703 4.369 1.00 0.00 C ATOM 394 CG2 VAL A 30 2.361 3.645 3.179 1.00 0.00 C ATOM 0 H VAL A 30 0.692 5.670 3.976 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.398 3.212 2.917 1.00 0.00 H new ATOM 0 HB VAL A 30 1.602 3.658 5.169 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.320 1.361 4.644 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.615 1.422 5.149 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.026 1.240 3.427 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.344 3.275 3.472 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.094 3.234 2.205 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.386 4.733 3.120 1.00 0.00 H new ATOM 404 N ARG A 31 -1.981 2.512 4.697 1.00 0.00 N ATOM 405 CA ARG A 31 -2.973 2.130 5.697 1.00 0.00 C ATOM 406 C ARG A 31 -2.758 0.691 6.156 1.00 0.00 C ATOM 407 O ARG A 31 -2.977 0.363 7.323 1.00 0.00 O ATOM 408 CB ARG A 31 -4.385 2.291 5.132 1.00 0.00 C ATOM 409 CG ARG A 31 -4.748 3.731 4.806 1.00 0.00 C ATOM 410 CD ARG A 31 -5.063 4.523 6.065 1.00 0.00 C ATOM 411 NE ARG A 31 -6.156 3.924 6.829 1.00 0.00 N ATOM 412 CZ ARG A 31 -6.501 4.309 8.055 1.00 0.00 C ATOM 413 NH1 ARG A 31 -5.843 5.290 8.660 1.00 0.00 N ATOM 414 NH2 ARG A 31 -7.506 3.712 8.679 1.00 0.00 N ATOM 0 H ARG A 31 -2.073 2.026 3.805 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.856 2.788 6.558 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.477 1.688 4.229 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.103 1.898 5.852 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.923 4.204 4.274 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.610 3.748 4.138 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.172 4.580 6.690 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.328 5.545 5.794 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.685 3.167 6.397 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.068 5.753 8.185 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.112 5.581 9.600 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.015 2.957 8.219 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.770 4.007 9.619 1.00 0.00 H new ATOM 428 N TYR A 32 -2.330 -0.162 5.233 1.00 0.00 N ATOM 429 CA TYR A 32 -2.087 -1.566 5.545 1.00 0.00 C ATOM 430 C TYR A 32 -0.835 -2.072 4.835 1.00 0.00 C ATOM 431 O TYR A 32 -0.450 -1.553 3.788 1.00 0.00 O ATOM 432 CB TYR A 32 -3.294 -2.414 5.143 1.00 0.00 C ATOM 433 CG TYR A 32 -3.290 -3.800 5.749 1.00 0.00 C ATOM 434 CD1 TYR A 32 -2.550 -4.827 5.176 1.00 0.00 C ATOM 435 CD2 TYR A 32 -4.025 -4.080 6.894 1.00 0.00 C ATOM 436 CE1 TYR A 32 -2.543 -6.094 5.727 1.00 0.00 C ATOM 437 CE2 TYR A 32 -4.023 -5.345 7.451 1.00 0.00 C ATOM 438 CZ TYR A 32 -3.281 -6.348 6.863 1.00 0.00 C ATOM 439 OH TYR A 32 -3.276 -7.609 7.415 1.00 0.00 O ATOM 0 H TYR A 32 -2.144 0.093 4.263 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.932 -1.653 6.620 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.206 -1.898 5.443 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.320 -2.502 4.057 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.971 -4.632 4.286 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.607 -3.297 7.356 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.962 -6.881 5.270 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.599 -5.547 8.342 1.00 0.00 H new ATOM 0 HH TYR A 32 -3.846 -7.619 8.212 1.00 0.00 H new ATOM 449 N VAL A 33 -0.204 -3.089 5.414 1.00 0.00 N ATOM 450 CA VAL A 33 1.004 -3.665 4.838 1.00 0.00 C ATOM 451 C VAL A 33 1.061 -5.171 5.073 1.00 0.00 C ATOM 452 O VAL A 33 1.033 -5.633 6.213 1.00 0.00 O ATOM 453 CB VAL A 33 2.272 -3.018 5.427 1.00 0.00 C ATOM 454 CG1 VAL A 33 3.510 -3.492 4.683 1.00 0.00 C ATOM 455 CG2 VAL A 33 2.163 -1.501 5.387 1.00 0.00 C ATOM 0 H VAL A 33 -0.510 -3.530 6.281 1.00 0.00 H new ATOM 0 HA VAL A 33 0.968 -3.467 3.767 1.00 0.00 H new ATOM 0 HB VAL A 33 2.365 -3.326 6.469 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.395 -3.024 5.114 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.594 -4.575 4.770 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.430 -3.217 3.631 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.067 -1.060 5.807 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.044 -1.172 4.355 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.299 -1.183 5.971 1.00 0.00 H new ATOM 465 N GLY A 34 1.139 -5.932 3.986 1.00 0.00 N ATOM 466 CA GLY A 34 1.199 -7.378 4.096 1.00 0.00 C ATOM 467 C GLY A 34 0.553 -8.077 2.914 1.00 0.00 C ATOM 468 O GLY A 34 0.406 -7.483 1.846 1.00 0.00 O ATOM 0 H GLY A 34 1.162 -5.573 3.031 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.240 -7.690 4.174 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.703 -7.690 5.015 1.00 0.00 H new ATOM 472 N PRO A 35 0.154 -9.349 3.076 1.00 0.00 N ATOM 473 CA PRO A 35 -0.482 -10.120 2.002 1.00 0.00 C ATOM 474 C PRO A 35 -1.888 -9.622 1.687 1.00 0.00 C ATOM 475 O PRO A 35 -2.344 -8.625 2.248 1.00 0.00 O ATOM 476 CB PRO A 35 -0.534 -11.541 2.568 1.00 0.00 C ATOM 477 CG PRO A 35 -0.539 -11.361 4.046 1.00 0.00 C ATOM 478 CD PRO A 35 0.291 -10.136 4.317 1.00 0.00 C ATOM 0 HA PRO A 35 0.066 -10.040 1.063 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.426 -12.069 2.231 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.325 -12.128 2.244 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -1.555 -11.235 4.420 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.121 -12.234 4.547 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.075 -9.586 5.184 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.331 -10.392 4.518 1.00 0.00 H new ATOM 486 N THR A 36 -2.569 -10.319 0.784 1.00 0.00 N ATOM 487 CA THR A 36 -3.923 -9.947 0.393 1.00 0.00 C ATOM 488 C THR A 36 -4.839 -11.167 0.380 1.00 0.00 C ATOM 489 O THR A 36 -4.398 -12.289 0.627 1.00 0.00 O ATOM 490 CB THR A 36 -3.915 -9.284 -0.984 1.00 0.00 C ATOM 491 OG1 THR A 36 -2.908 -9.846 -1.806 1.00 0.00 O ATOM 492 CG2 THR A 36 -3.682 -7.789 -0.927 1.00 0.00 C ATOM 0 H THR A 36 -2.205 -11.145 0.309 1.00 0.00 H new ATOM 0 HA THR A 36 -4.305 -9.237 1.126 1.00 0.00 H new ATOM 0 HB THR A 36 -4.907 -9.465 -1.397 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.458 -9.133 -2.306 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.688 -7.381 -1.938 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.472 -7.320 -0.341 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.717 -7.589 -0.461 1.00 0.00 H new ATOM 500 N ASP A 37 -6.116 -10.939 0.089 1.00 0.00 N ATOM 501 CA ASP A 37 -7.094 -12.020 0.043 1.00 0.00 C ATOM 502 C ASP A 37 -7.294 -12.514 -1.386 1.00 0.00 C ATOM 503 O ASP A 37 -7.592 -13.687 -1.611 1.00 0.00 O ATOM 504 CB ASP A 37 -8.430 -11.552 0.625 1.00 0.00 C ATOM 505 CG ASP A 37 -8.908 -10.256 0.002 1.00 0.00 C ATOM 506 OD1 ASP A 37 -9.421 -10.298 -1.137 1.00 0.00 O ATOM 507 OD2 ASP A 37 -8.771 -9.198 0.652 1.00 0.00 O ATOM 0 H ASP A 37 -6.497 -10.016 -0.118 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.713 -12.846 0.643 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.182 -12.326 0.470 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.327 -11.418 1.702 1.00 0.00 H new ATOM 512 N PHE A 38 -7.127 -11.612 -2.348 1.00 0.00 N ATOM 513 CA PHE A 38 -7.290 -11.958 -3.755 1.00 0.00 C ATOM 514 C PHE A 38 -5.935 -12.103 -4.441 1.00 0.00 C ATOM 515 O PHE A 38 -5.799 -11.825 -5.634 1.00 0.00 O ATOM 516 CB PHE A 38 -8.127 -10.896 -4.470 1.00 0.00 C ATOM 517 CG PHE A 38 -7.474 -9.544 -4.517 1.00 0.00 C ATOM 518 CD1 PHE A 38 -7.544 -8.688 -3.429 1.00 0.00 C ATOM 519 CD2 PHE A 38 -6.789 -9.130 -5.648 1.00 0.00 C ATOM 520 CE1 PHE A 38 -6.943 -7.444 -3.469 1.00 0.00 C ATOM 521 CE2 PHE A 38 -6.186 -7.888 -5.694 1.00 0.00 C ATOM 522 CZ PHE A 38 -6.264 -7.043 -4.604 1.00 0.00 C ATOM 0 H PHE A 38 -6.879 -10.637 -2.179 1.00 0.00 H new ATOM 0 HA PHE A 38 -7.808 -12.915 -3.810 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.327 -11.229 -5.488 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.091 -10.807 -3.969 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -8.074 -8.997 -2.540 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.726 -9.786 -6.504 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -7.004 -6.786 -2.615 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -5.654 -7.578 -6.581 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.795 -6.071 -4.639 1.00 0.00 H new ATOM 532 N ALA A 39 -4.935 -12.539 -3.682 1.00 0.00 N ATOM 533 CA ALA A 39 -3.592 -12.720 -4.218 1.00 0.00 C ATOM 534 C ALA A 39 -2.668 -13.350 -3.182 1.00 0.00 C ATOM 535 O ALA A 39 -2.997 -13.415 -1.998 1.00 0.00 O ATOM 536 CB ALA A 39 -3.029 -11.387 -4.689 1.00 0.00 C ATOM 0 H ALA A 39 -5.030 -12.773 -2.694 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.655 -13.397 -5.070 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.025 -11.536 -5.087 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.671 -10.976 -5.468 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.987 -10.693 -3.850 1.00 0.00 H new ATOM 542 N SER A 40 -1.507 -13.814 -3.637 1.00 0.00 N ATOM 543 CA SER A 40 -0.533 -14.440 -2.749 1.00 0.00 C ATOM 544 C SER A 40 0.828 -13.762 -2.871 1.00 0.00 C ATOM 545 O SER A 40 1.680 -14.194 -3.648 1.00 0.00 O ATOM 546 CB SER A 40 -0.404 -15.930 -3.069 1.00 0.00 C ATOM 547 OG SER A 40 -0.197 -16.689 -1.891 1.00 0.00 O ATOM 0 H SER A 40 -1.219 -13.768 -4.614 1.00 0.00 H new ATOM 0 HA SER A 40 -0.886 -14.325 -1.724 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.306 -16.276 -3.574 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.427 -16.087 -3.757 1.00 0.00 H new ATOM 0 HG SER A 40 -0.120 -17.638 -2.123 1.00 0.00 H new ATOM 553 N GLY A 41 1.026 -12.699 -2.099 1.00 0.00 N ATOM 554 CA GLY A 41 2.286 -11.980 -2.137 1.00 0.00 C ATOM 555 C GLY A 41 2.326 -10.827 -1.153 1.00 0.00 C ATOM 556 O GLY A 41 1.888 -10.962 -0.011 1.00 0.00 O ATOM 0 H GLY A 41 0.337 -12.323 -1.448 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.101 -12.670 -1.917 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.453 -11.600 -3.145 1.00 0.00 H new ATOM 560 N ILE A 42 2.853 -9.691 -1.597 1.00 0.00 N ATOM 561 CA ILE A 42 2.950 -8.509 -0.748 1.00 0.00 C ATOM 562 C ILE A 42 2.242 -7.317 -1.382 1.00 0.00 C ATOM 563 O ILE A 42 2.370 -7.071 -2.581 1.00 0.00 O ATOM 564 CB ILE A 42 4.420 -8.134 -0.474 1.00 0.00 C ATOM 565 CG1 ILE A 42 5.215 -9.367 -0.036 1.00 0.00 C ATOM 566 CG2 ILE A 42 4.499 -7.039 0.580 1.00 0.00 C ATOM 567 CD1 ILE A 42 6.333 -9.734 -0.986 1.00 0.00 C ATOM 0 H ILE A 42 3.220 -9.564 -2.540 1.00 0.00 H new ATOM 0 HA ILE A 42 2.464 -8.756 0.196 1.00 0.00 H new ATOM 0 HB ILE A 42 4.860 -7.755 -1.396 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.635 -9.186 0.954 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.535 -10.214 0.056 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.543 -6.785 0.763 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.967 -6.156 0.227 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.044 -7.391 1.506 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.853 -10.616 -0.613 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.918 -9.947 -1.971 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.035 -8.903 -1.060 1.00 0.00 H new ATOM 579 N TRP A 43 1.494 -6.578 -0.568 1.00 0.00 N ATOM 580 CA TRP A 43 0.765 -5.410 -1.048 1.00 0.00 C ATOM 581 C TRP A 43 0.692 -4.333 0.029 1.00 0.00 C ATOM 582 O TRP A 43 1.024 -4.578 1.190 1.00 0.00 O ATOM 583 CB TRP A 43 -0.646 -5.806 -1.484 1.00 0.00 C ATOM 584 CG TRP A 43 -0.668 -6.775 -2.626 1.00 0.00 C ATOM 585 CD1 TRP A 43 -0.631 -8.138 -2.545 1.00 0.00 C ATOM 586 CD2 TRP A 43 -0.731 -6.456 -4.020 1.00 0.00 C ATOM 587 NE1 TRP A 43 -0.667 -8.686 -3.804 1.00 0.00 N ATOM 588 CE2 TRP A 43 -0.728 -7.674 -4.727 1.00 0.00 C ATOM 589 CE3 TRP A 43 -0.790 -5.261 -4.741 1.00 0.00 C ATOM 590 CZ2 TRP A 43 -0.784 -7.729 -6.118 1.00 0.00 C ATOM 591 CZ3 TRP A 43 -0.843 -5.316 -6.122 1.00 0.00 C ATOM 592 CH2 TRP A 43 -0.841 -6.543 -6.797 1.00 0.00 C ATOM 0 H TRP A 43 1.377 -6.768 0.427 1.00 0.00 H new ATOM 0 HA TRP A 43 1.303 -5.006 -1.905 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.170 -6.245 -0.635 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.195 -4.909 -1.769 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.581 -8.702 -1.626 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.651 -9.683 -4.017 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.794 -4.310 -4.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.782 -8.674 -6.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.887 -4.398 -6.689 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.885 -6.553 -7.876 1.00 0.00 H new ATOM 603 N LEU A 44 0.257 -3.140 -0.361 1.00 0.00 N ATOM 604 CA LEU A 44 0.139 -2.025 0.572 1.00 0.00 C ATOM 605 C LEU A 44 -1.145 -1.241 0.325 1.00 0.00 C ATOM 606 O LEU A 44 -1.244 -0.482 -0.639 1.00 0.00 O ATOM 607 CB LEU A 44 1.349 -1.098 0.447 1.00 0.00 C ATOM 608 CG LEU A 44 2.709 -1.799 0.474 1.00 0.00 C ATOM 609 CD1 LEU A 44 3.757 -0.958 -0.237 1.00 0.00 C ATOM 610 CD2 LEU A 44 3.132 -2.081 1.908 1.00 0.00 C ATOM 0 H LEU A 44 -0.020 -2.920 -1.318 1.00 0.00 H new ATOM 0 HA LEU A 44 0.105 -2.432 1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.264 -0.539 -0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.316 -0.371 1.259 1.00 0.00 H new ATOM 0 HG LEU A 44 2.618 -2.749 -0.052 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.718 -1.472 -0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.459 -0.805 -1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.847 0.008 0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.101 -2.580 1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.206 -1.142 2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.392 -2.723 2.386 1.00 0.00 H new ATOM 622 N GLY A 45 -2.126 -1.431 1.201 1.00 0.00 N ATOM 623 CA GLY A 45 -3.392 -0.735 1.059 1.00 0.00 C ATOM 624 C GLY A 45 -3.248 0.767 1.211 1.00 0.00 C ATOM 625 O GLY A 45 -3.359 1.300 2.315 1.00 0.00 O ATOM 0 H GLY A 45 -2.067 -2.054 2.006 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.819 -0.959 0.081 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.094 -1.107 1.806 1.00 0.00 H new ATOM 629 N LEU A 46 -3.003 1.451 0.098 1.00 0.00 N ATOM 630 CA LEU A 46 -2.845 2.902 0.112 1.00 0.00 C ATOM 631 C LEU A 46 -4.197 3.596 0.229 1.00 0.00 C ATOM 632 O LEU A 46 -5.243 2.945 0.215 1.00 0.00 O ATOM 633 CB LEU A 46 -2.126 3.368 -1.156 1.00 0.00 C ATOM 634 CG LEU A 46 -0.776 2.699 -1.418 1.00 0.00 C ATOM 635 CD1 LEU A 46 -0.126 3.278 -2.665 1.00 0.00 C ATOM 636 CD2 LEU A 46 0.139 2.861 -0.213 1.00 0.00 C ATOM 0 H LEU A 46 -2.910 1.025 -0.824 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.245 3.170 0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.776 3.186 -2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.974 4.446 -1.094 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.944 1.635 -1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.834 2.790 -2.835 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.775 3.112 -3.524 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.030 4.348 -2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.096 2.379 -0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.300 3.921 -0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.323 2.398 0.659 1.00 0.00 H new ATOM 648 N GLU A 47 -4.171 4.920 0.343 1.00 0.00 N ATOM 649 CA GLU A 47 -5.396 5.701 0.462 1.00 0.00 C ATOM 650 C GLU A 47 -5.168 7.144 0.021 1.00 0.00 C ATOM 651 O GLU A 47 -4.421 7.887 0.657 1.00 0.00 O ATOM 652 CB GLU A 47 -5.907 5.672 1.904 1.00 0.00 C ATOM 653 CG GLU A 47 -7.422 5.620 2.011 1.00 0.00 C ATOM 654 CD GLU A 47 -7.937 6.220 3.304 1.00 0.00 C ATOM 655 OE1 GLU A 47 -7.962 5.500 4.325 1.00 0.00 O ATOM 656 OE2 GLU A 47 -8.316 7.411 3.297 1.00 0.00 O ATOM 0 H GLU A 47 -3.315 5.474 0.355 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.145 5.254 -0.191 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.485 4.805 2.413 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.544 6.557 2.427 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.860 6.153 1.168 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.752 4.584 1.939 1.00 0.00 H new ATOM 663 N LEU A 48 -5.815 7.532 -1.073 1.00 0.00 N ATOM 664 CA LEU A 48 -5.683 8.885 -1.599 1.00 0.00 C ATOM 665 C LEU A 48 -6.707 9.820 -0.964 1.00 0.00 C ATOM 666 O LEU A 48 -7.560 9.387 -0.188 1.00 0.00 O ATOM 667 CB LEU A 48 -5.853 8.882 -3.120 1.00 0.00 C ATOM 668 CG LEU A 48 -5.106 7.765 -3.853 1.00 0.00 C ATOM 669 CD1 LEU A 48 -5.883 7.317 -5.081 1.00 0.00 C ATOM 670 CD2 LEU A 48 -3.709 8.226 -4.241 1.00 0.00 C ATOM 0 H LEU A 48 -6.436 6.928 -1.612 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.685 9.247 -1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.915 8.801 -3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.514 9.842 -3.510 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.013 6.913 -3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.335 6.523 -5.588 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.862 6.946 -4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.009 8.161 -5.759 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.191 7.420 -4.761 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.781 9.094 -4.897 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.152 8.495 -3.343 1.00 0.00 H new ATOM 682 N ARG A 49 -6.616 11.104 -1.297 1.00 0.00 N ATOM 683 CA ARG A 49 -7.535 12.099 -0.758 1.00 0.00 C ATOM 684 C ARG A 49 -8.729 12.297 -1.688 1.00 0.00 C ATOM 685 O ARG A 49 -9.842 12.567 -1.237 1.00 0.00 O ATOM 686 CB ARG A 49 -6.814 13.432 -0.547 1.00 0.00 C ATOM 687 CG ARG A 49 -5.649 13.344 0.427 1.00 0.00 C ATOM 688 CD ARG A 49 -5.591 14.558 1.341 1.00 0.00 C ATOM 689 NE ARG A 49 -5.242 14.195 2.712 1.00 0.00 N ATOM 690 CZ ARG A 49 -4.828 15.068 3.627 1.00 0.00 C ATOM 691 NH1 ARG A 49 -4.708 16.354 3.322 1.00 0.00 N ATOM 692 NH2 ARG A 49 -4.531 14.653 4.852 1.00 0.00 N ATOM 0 H ARG A 49 -5.916 11.479 -1.937 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.900 11.735 0.203 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.448 13.794 -1.508 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.529 14.169 -0.180 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.744 12.440 1.028 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.715 13.261 -0.129 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.858 15.267 0.956 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.557 15.063 1.334 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.320 13.215 2.984 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.934 16.678 2.382 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.390 17.018 4.028 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.620 13.666 5.092 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.214 15.321 5.554 1.00 0.00 H new ATOM 706 N SER A 50 -8.487 12.160 -2.988 1.00 0.00 N ATOM 707 CA SER A 50 -9.541 12.323 -3.983 1.00 0.00 C ATOM 708 C SER A 50 -9.875 10.990 -4.644 1.00 0.00 C ATOM 709 O SER A 50 -9.234 9.975 -4.376 1.00 0.00 O ATOM 710 CB SER A 50 -9.118 13.341 -5.043 1.00 0.00 C ATOM 711 OG SER A 50 -9.623 14.632 -4.742 1.00 0.00 O ATOM 0 H SER A 50 -7.571 11.937 -3.377 1.00 0.00 H new ATOM 0 HA SER A 50 -10.433 12.689 -3.475 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.030 13.378 -5.103 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.481 13.024 -6.021 1.00 0.00 H new ATOM 0 HG SER A 50 -9.337 15.265 -5.434 1.00 0.00 H new ATOM 717 N ALA A 51 -10.883 11.001 -5.510 1.00 0.00 N ATOM 718 CA ALA A 51 -11.303 9.792 -6.209 1.00 0.00 C ATOM 719 C ALA A 51 -10.421 9.529 -7.426 1.00 0.00 C ATOM 720 O ALA A 51 -10.670 10.055 -8.511 1.00 0.00 O ATOM 721 CB ALA A 51 -12.761 9.904 -6.627 1.00 0.00 C ATOM 0 H ALA A 51 -11.424 11.833 -5.744 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.196 8.950 -5.525 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -13.061 8.995 -7.148 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.384 10.038 -5.743 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.884 10.760 -7.291 1.00 0.00 H new ATOM 727 N LYS A 52 -9.389 8.713 -7.237 1.00 0.00 N ATOM 728 CA LYS A 52 -8.470 8.380 -8.320 1.00 0.00 C ATOM 729 C LYS A 52 -7.963 6.948 -8.182 1.00 0.00 C ATOM 730 O LYS A 52 -6.801 6.660 -8.465 1.00 0.00 O ATOM 731 CB LYS A 52 -7.290 9.353 -8.331 1.00 0.00 C ATOM 732 CG LYS A 52 -7.633 10.720 -8.899 1.00 0.00 C ATOM 733 CD LYS A 52 -6.657 11.783 -8.422 1.00 0.00 C ATOM 734 CE LYS A 52 -6.484 12.885 -9.454 1.00 0.00 C ATOM 735 NZ LYS A 52 -5.078 13.369 -9.519 1.00 0.00 N ATOM 0 H LYS A 52 -9.168 8.270 -6.345 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.011 8.465 -9.262 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.921 9.474 -7.313 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.478 8.920 -8.915 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.621 10.676 -9.988 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.645 10.995 -8.602 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.014 12.213 -7.486 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.691 11.324 -8.213 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.786 12.515 -10.434 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.144 13.718 -9.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.002 14.120 -10.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.797 13.745 -8.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.451 12.580 -9.777 1.00 0.00 H new ATOM 749 N GLY A 53 -8.844 6.053 -7.746 1.00 0.00 N ATOM 750 CA GLY A 53 -8.467 4.662 -7.578 1.00 0.00 C ATOM 751 C GLY A 53 -9.517 3.707 -8.111 1.00 0.00 C ATOM 752 O GLY A 53 -10.473 4.128 -8.765 1.00 0.00 O ATOM 0 H GLY A 53 -9.812 6.267 -7.506 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.522 4.481 -8.090 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.300 4.459 -6.520 1.00 0.00 H new ATOM 756 N LYS A 54 -9.341 2.420 -7.833 1.00 0.00 N ATOM 757 CA LYS A 54 -10.280 1.402 -8.289 1.00 0.00 C ATOM 758 C LYS A 54 -10.714 0.506 -7.133 1.00 0.00 C ATOM 759 O LYS A 54 -11.000 -0.676 -7.325 1.00 0.00 O ATOM 760 CB LYS A 54 -9.650 0.557 -9.397 1.00 0.00 C ATOM 761 CG LYS A 54 -9.791 1.167 -10.782 1.00 0.00 C ATOM 762 CD LYS A 54 -9.375 0.186 -11.867 1.00 0.00 C ATOM 763 CE LYS A 54 -7.966 0.468 -12.364 1.00 0.00 C ATOM 764 NZ LYS A 54 -7.970 1.186 -13.668 1.00 0.00 N ATOM 0 H LYS A 54 -8.555 2.057 -7.293 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.162 1.907 -8.684 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.592 0.416 -9.177 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.111 -0.431 -9.396 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.825 1.472 -10.943 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.179 2.066 -10.849 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.428 -0.831 -11.479 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.075 0.246 -12.701 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.432 1.064 -11.623 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.423 -0.471 -12.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.991 1.359 -13.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.457 0.607 -14.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.465 2.094 -13.563 1.00 0.00 H new ATOM 778 N ASN A 55 -10.760 1.076 -5.934 1.00 0.00 N ATOM 779 CA ASN A 55 -11.159 0.328 -4.747 1.00 0.00 C ATOM 780 C ASN A 55 -12.116 1.145 -3.886 1.00 0.00 C ATOM 781 O ASN A 55 -12.100 2.375 -3.919 1.00 0.00 O ATOM 782 CB ASN A 55 -9.928 -0.064 -3.928 1.00 0.00 C ATOM 783 CG ASN A 55 -9.146 -1.197 -4.564 1.00 0.00 C ATOM 784 OD1 ASN A 55 -9.715 -2.060 -5.234 1.00 0.00 O ATOM 785 ND2 ASN A 55 -7.835 -1.201 -4.356 1.00 0.00 N ATOM 0 H ASN A 55 -10.526 2.053 -5.758 1.00 0.00 H new ATOM 0 HA ASN A 55 -11.673 -0.576 -5.074 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.278 0.804 -3.816 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.241 -0.360 -2.926 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.257 -1.939 -4.758 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.406 -0.466 -3.794 1.00 0.00 H new ATOM 792 N ASP A 56 -12.949 0.453 -3.115 1.00 0.00 N ATOM 793 CA ASP A 56 -13.914 1.115 -2.245 1.00 0.00 C ATOM 794 C ASP A 56 -13.572 0.883 -0.776 1.00 0.00 C ATOM 795 O ASP A 56 -14.457 0.849 0.079 1.00 0.00 O ATOM 796 CB ASP A 56 -15.327 0.608 -2.537 1.00 0.00 C ATOM 797 CG ASP A 56 -16.391 1.635 -2.199 1.00 0.00 C ATOM 798 OD1 ASP A 56 -16.201 2.387 -1.221 1.00 0.00 O ATOM 799 OD2 ASP A 56 -17.415 1.686 -2.912 1.00 0.00 O ATOM 0 H ASP A 56 -12.975 -0.566 -3.075 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.871 2.186 -2.445 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.404 0.342 -3.591 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.509 -0.302 -1.965 1.00 0.00 H new ATOM 804 N GLY A 57 -12.284 0.725 -0.490 1.00 0.00 N ATOM 805 CA GLY A 57 -11.850 0.498 0.876 1.00 0.00 C ATOM 806 C GLY A 57 -11.767 -0.975 1.223 1.00 0.00 C ATOM 807 O GLY A 57 -10.777 -1.431 1.793 1.00 0.00 O ATOM 0 H GLY A 57 -11.533 0.750 -1.180 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -10.873 0.958 1.024 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -12.541 0.990 1.560 1.00 0.00 H new ATOM 811 N ALA A 58 -12.812 -1.722 0.879 1.00 0.00 N ATOM 812 CA ALA A 58 -12.853 -3.152 1.158 1.00 0.00 C ATOM 813 C ALA A 58 -12.860 -3.964 -0.133 1.00 0.00 C ATOM 814 O ALA A 58 -13.687 -3.737 -1.016 1.00 0.00 O ATOM 815 CB ALA A 58 -14.074 -3.489 2.001 1.00 0.00 C ATOM 0 H ALA A 58 -13.641 -1.360 0.407 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.954 -3.414 1.716 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -14.093 -4.560 2.202 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -14.027 -2.943 2.943 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.978 -3.205 1.462 1.00 0.00 H new ATOM 821 N VAL A 59 -11.933 -4.910 -0.235 1.00 0.00 N ATOM 822 CA VAL A 59 -11.831 -5.757 -1.419 1.00 0.00 C ATOM 823 C VAL A 59 -12.260 -7.187 -1.109 1.00 0.00 C ATOM 824 O VAL A 59 -11.586 -7.901 -0.367 1.00 0.00 O ATOM 825 CB VAL A 59 -10.395 -5.772 -1.975 1.00 0.00 C ATOM 826 CG1 VAL A 59 -10.349 -6.488 -3.317 1.00 0.00 C ATOM 827 CG2 VAL A 59 -9.855 -4.356 -2.100 1.00 0.00 C ATOM 0 H VAL A 59 -11.241 -5.110 0.487 1.00 0.00 H new ATOM 0 HA VAL A 59 -12.499 -5.335 -2.170 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.761 -6.317 -1.276 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.326 -6.489 -3.694 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.691 -7.516 -3.193 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.997 -5.973 -4.026 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.839 -4.387 -2.494 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.489 -3.783 -2.776 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.849 -3.881 -1.119 1.00 0.00 H new ATOM 837 N GLY A 60 -13.385 -7.600 -1.684 1.00 0.00 N ATOM 838 CA GLY A 60 -13.884 -8.944 -1.458 1.00 0.00 C ATOM 839 C GLY A 60 -14.385 -9.145 -0.041 1.00 0.00 C ATOM 840 O GLY A 60 -15.277 -8.430 0.416 1.00 0.00 O ATOM 0 H GLY A 60 -13.960 -7.028 -2.302 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.693 -9.151 -2.159 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.091 -9.663 -1.665 1.00 0.00 H new ATOM 844 N ASP A 61 -13.810 -10.120 0.655 1.00 0.00 N ATOM 845 CA ASP A 61 -14.203 -10.414 2.028 1.00 0.00 C ATOM 846 C ASP A 61 -13.194 -9.839 3.018 1.00 0.00 C ATOM 847 O ASP A 61 -12.999 -10.381 4.106 1.00 0.00 O ATOM 848 CB ASP A 61 -14.336 -11.925 2.230 1.00 0.00 C ATOM 849 CG ASP A 61 -15.781 -12.383 2.241 1.00 0.00 C ATOM 850 OD1 ASP A 61 -16.574 -11.829 3.032 1.00 0.00 O ATOM 851 OD2 ASP A 61 -16.121 -13.295 1.459 1.00 0.00 O ATOM 0 H ASP A 61 -13.070 -10.720 0.291 1.00 0.00 H new ATOM 0 HA ASP A 61 -15.170 -9.945 2.212 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.800 -12.443 1.435 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.862 -12.206 3.170 1.00 0.00 H new ATOM 856 N LYS A 62 -12.557 -8.738 2.634 1.00 0.00 N ATOM 857 CA LYS A 62 -11.569 -8.089 3.487 1.00 0.00 C ATOM 858 C LYS A 62 -11.383 -6.629 3.089 1.00 0.00 C ATOM 859 O LYS A 62 -11.957 -6.166 2.104 1.00 0.00 O ATOM 860 CB LYS A 62 -10.231 -8.827 3.407 1.00 0.00 C ATOM 861 CG LYS A 62 -9.491 -8.890 4.734 1.00 0.00 C ATOM 862 CD LYS A 62 -8.007 -8.605 4.560 1.00 0.00 C ATOM 863 CE LYS A 62 -7.227 -8.935 5.822 1.00 0.00 C ATOM 864 NZ LYS A 62 -6.814 -10.364 5.862 1.00 0.00 N ATOM 0 H LYS A 62 -12.708 -8.276 1.737 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.933 -8.123 4.514 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.406 -9.842 3.049 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.597 -8.334 2.670 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.922 -8.167 5.427 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.623 -9.876 5.179 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.618 -9.190 3.727 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.864 -7.555 4.306 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.343 -8.300 5.879 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.838 -8.709 6.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.285 -10.548 6.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.658 -10.970 5.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.210 -10.574 5.042 1.00 0.00 H new ATOM 878 N ARG A 63 -10.575 -5.908 3.860 1.00 0.00 N ATOM 879 CA ARG A 63 -10.314 -4.500 3.585 1.00 0.00 C ATOM 880 C ARG A 63 -8.905 -4.112 4.022 1.00 0.00 C ATOM 881 O ARG A 63 -8.394 -4.613 5.024 1.00 0.00 O ATOM 882 CB ARG A 63 -11.345 -3.619 4.295 1.00 0.00 C ATOM 883 CG ARG A 63 -11.203 -3.612 5.810 1.00 0.00 C ATOM 884 CD ARG A 63 -12.555 -3.705 6.498 1.00 0.00 C ATOM 885 NE ARG A 63 -12.427 -4.052 7.912 1.00 0.00 N ATOM 886 CZ ARG A 63 -13.440 -4.026 8.776 1.00 0.00 C ATOM 887 NH1 ARG A 63 -14.654 -3.672 8.376 1.00 0.00 N ATOM 888 NH2 ARG A 63 -13.236 -4.357 10.044 1.00 0.00 N ATOM 0 H ARG A 63 -10.090 -6.275 4.679 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.396 -4.345 2.509 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -11.253 -2.598 3.926 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -12.346 -3.964 4.034 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.577 -4.448 6.121 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -10.696 -2.700 6.124 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -13.076 -2.752 6.404 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -13.167 -4.454 5.995 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.508 -4.330 8.257 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -14.816 -3.418 7.402 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -15.426 -3.654 9.043 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -12.304 -4.631 10.356 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -14.011 -4.338 10.707 1.00 0.00 H new ATOM 902 N TYR A 64 -8.283 -3.217 3.264 1.00 0.00 N ATOM 903 CA TYR A 64 -6.933 -2.760 3.571 1.00 0.00 C ATOM 904 C TYR A 64 -6.934 -1.298 4.017 1.00 0.00 C ATOM 905 O TYR A 64 -5.981 -0.830 4.638 1.00 0.00 O ATOM 906 CB TYR A 64 -6.026 -2.933 2.352 1.00 0.00 C ATOM 907 CG TYR A 64 -6.074 -4.322 1.756 1.00 0.00 C ATOM 908 CD1 TYR A 64 -6.999 -4.643 0.770 1.00 0.00 C ATOM 909 CD2 TYR A 64 -5.195 -5.311 2.178 1.00 0.00 C ATOM 910 CE1 TYR A 64 -7.047 -5.912 0.224 1.00 0.00 C ATOM 911 CE2 TYR A 64 -5.237 -6.582 1.636 1.00 0.00 C ATOM 912 CZ TYR A 64 -6.164 -6.876 0.659 1.00 0.00 C ATOM 913 OH TYR A 64 -6.209 -8.140 0.117 1.00 0.00 O ATOM 0 H TYR A 64 -8.692 -2.793 2.432 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.551 -3.367 4.391 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.314 -2.209 1.590 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -4.999 -2.704 2.638 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -7.691 -3.889 0.425 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.467 -5.083 2.942 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -7.773 -6.147 -0.540 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -4.547 -7.340 1.976 1.00 0.00 H new ATOM 0 HH TYR A 64 -7.116 -8.500 0.202 1.00 0.00 H new ATOM 923 N PHE A 65 -8.009 -0.581 3.696 1.00 0.00 N ATOM 924 CA PHE A 65 -8.126 0.824 4.066 1.00 0.00 C ATOM 925 C PHE A 65 -9.584 1.271 4.053 1.00 0.00 C ATOM 926 O PHE A 65 -10.420 0.676 3.373 1.00 0.00 O ATOM 927 CB PHE A 65 -7.306 1.695 3.112 1.00 0.00 C ATOM 928 CG PHE A 65 -7.489 1.336 1.665 1.00 0.00 C ATOM 929 CD1 PHE A 65 -8.546 1.856 0.936 1.00 0.00 C ATOM 930 CD2 PHE A 65 -6.603 0.476 1.034 1.00 0.00 C ATOM 931 CE1 PHE A 65 -8.716 1.527 -0.395 1.00 0.00 C ATOM 932 CE2 PHE A 65 -6.768 0.144 -0.297 1.00 0.00 C ATOM 933 CZ PHE A 65 -7.827 0.670 -1.013 1.00 0.00 C ATOM 0 H PHE A 65 -8.809 -0.951 3.182 1.00 0.00 H new ATOM 0 HA PHE A 65 -7.738 0.940 5.078 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.583 2.739 3.257 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.250 1.607 3.369 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.245 2.526 1.414 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -5.775 0.061 1.589 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -9.544 1.940 -0.952 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.070 -0.526 -0.778 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.959 0.411 -2.053 1.00 0.00 H new ATOM 943 N THR A 66 -9.882 2.322 4.810 1.00 0.00 N ATOM 944 CA THR A 66 -11.239 2.850 4.885 1.00 0.00 C ATOM 945 C THR A 66 -11.333 4.206 4.193 1.00 0.00 C ATOM 946 O THR A 66 -10.919 5.226 4.745 1.00 0.00 O ATOM 947 CB THR A 66 -11.677 2.979 6.345 1.00 0.00 C ATOM 948 OG1 THR A 66 -11.014 2.023 7.153 1.00 0.00 O ATOM 949 CG2 THR A 66 -13.167 2.793 6.542 1.00 0.00 C ATOM 0 H THR A 66 -9.202 2.825 5.380 1.00 0.00 H new ATOM 0 HA THR A 66 -11.903 2.154 4.373 1.00 0.00 H new ATOM 0 HB THR A 66 -11.413 3.995 6.638 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.306 2.122 8.083 1.00 0.00 H new ATOM 0 HG21 THR A 66 -13.410 2.897 7.599 1.00 0.00 H new ATOM 0 HG22 THR A 66 -13.707 3.548 5.970 1.00 0.00 H new ATOM 0 HG23 THR A 66 -13.458 1.800 6.199 1.00 0.00 H new ATOM 957 N CYS A 67 -11.877 4.211 2.981 1.00 0.00 N ATOM 958 CA CYS A 67 -12.022 5.442 2.214 1.00 0.00 C ATOM 959 C CYS A 67 -13.308 5.426 1.392 1.00 0.00 C ATOM 960 O CYS A 67 -14.111 4.499 1.496 1.00 0.00 O ATOM 961 CB CYS A 67 -10.817 5.638 1.292 1.00 0.00 C ATOM 962 SG CYS A 67 -10.634 4.352 0.035 1.00 0.00 S ATOM 0 H CYS A 67 -12.225 3.376 2.509 1.00 0.00 H new ATOM 0 HA CYS A 67 -12.073 6.273 2.917 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -10.905 6.605 0.797 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.911 5.671 1.897 1.00 0.00 H new ATOM 0 HG CYS A 67 -9.614 3.601 0.328 1.00 0.00 H new ATOM 968 N LYS A 68 -13.494 6.459 0.576 1.00 0.00 N ATOM 969 CA LYS A 68 -14.681 6.565 -0.264 1.00 0.00 C ATOM 970 C LYS A 68 -14.537 5.713 -1.522 1.00 0.00 C ATOM 971 O LYS A 68 -13.453 5.214 -1.823 1.00 0.00 O ATOM 972 CB LYS A 68 -14.929 8.026 -0.647 1.00 0.00 C ATOM 973 CG LYS A 68 -15.899 8.742 0.279 1.00 0.00 C ATOM 974 CD LYS A 68 -15.202 9.821 1.094 1.00 0.00 C ATOM 975 CE LYS A 68 -14.384 9.223 2.226 1.00 0.00 C ATOM 976 NZ LYS A 68 -13.081 9.923 2.399 1.00 0.00 N ATOM 0 H LYS A 68 -12.838 7.234 0.479 1.00 0.00 H new ATOM 0 HA LYS A 68 -15.534 6.195 0.305 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.978 8.559 -0.646 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -15.316 8.065 -1.665 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.701 9.190 -0.309 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -16.362 8.019 0.951 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.552 10.406 0.444 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -15.945 10.506 1.503 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.953 9.280 3.154 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.205 8.167 2.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.553 9.485 3.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.527 9.847 1.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.252 10.926 2.615 1.00 0.00 H new ATOM 990 N PRO A 69 -15.633 5.536 -2.278 1.00 0.00 N ATOM 991 CA PRO A 69 -15.622 4.739 -3.510 1.00 0.00 C ATOM 992 C PRO A 69 -14.549 5.203 -4.489 1.00 0.00 C ATOM 993 O PRO A 69 -14.568 6.343 -4.953 1.00 0.00 O ATOM 994 CB PRO A 69 -17.017 4.968 -4.099 1.00 0.00 C ATOM 995 CG PRO A 69 -17.866 5.340 -2.933 1.00 0.00 C ATOM 996 CD PRO A 69 -16.968 6.094 -1.993 1.00 0.00 C ATOM 0 HA PRO A 69 -15.396 3.691 -3.313 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -17.005 5.760 -4.848 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -17.391 4.070 -4.590 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -18.710 5.955 -3.245 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -18.279 4.453 -2.452 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -17.003 7.168 -2.178 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -17.255 5.940 -0.953 1.00 0.00 H new ATOM 1004 N ASN A 70 -13.614 4.310 -4.800 1.00 0.00 N ATOM 1005 CA ASN A 70 -12.533 4.625 -5.727 1.00 0.00 C ATOM 1006 C ASN A 70 -11.668 5.764 -5.194 1.00 0.00 C ATOM 1007 O ASN A 70 -11.431 6.755 -5.887 1.00 0.00 O ATOM 1008 CB ASN A 70 -13.100 4.995 -7.100 1.00 0.00 C ATOM 1009 CG ASN A 70 -13.848 3.845 -7.745 1.00 0.00 C ATOM 1010 OD1 ASN A 70 -13.249 2.977 -8.378 1.00 0.00 O ATOM 1011 ND2 ASN A 70 -15.167 3.834 -7.585 1.00 0.00 N ATOM 0 H ASN A 70 -13.584 3.363 -4.423 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.907 3.738 -5.828 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.771 5.848 -6.995 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.286 5.308 -7.754 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -15.724 3.085 -7.995 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -15.622 4.575 -7.052 1.00 0.00 H new ATOM 1018 N TYR A 71 -11.194 5.616 -3.961 1.00 0.00 N ATOM 1019 CA TYR A 71 -10.351 6.632 -3.339 1.00 0.00 C ATOM 1020 C TYR A 71 -8.943 6.095 -3.100 1.00 0.00 C ATOM 1021 O TYR A 71 -7.961 6.824 -3.230 1.00 0.00 O ATOM 1022 CB TYR A 71 -10.963 7.096 -2.015 1.00 0.00 C ATOM 1023 CG TYR A 71 -11.885 8.286 -2.158 1.00 0.00 C ATOM 1024 CD1 TYR A 71 -12.892 8.297 -3.114 1.00 0.00 C ATOM 1025 CD2 TYR A 71 -11.747 9.398 -1.337 1.00 0.00 C ATOM 1026 CE1 TYR A 71 -13.737 9.383 -3.248 1.00 0.00 C ATOM 1027 CE2 TYR A 71 -12.588 10.487 -1.464 1.00 0.00 C ATOM 1028 CZ TYR A 71 -13.581 10.475 -2.421 1.00 0.00 C ATOM 1029 OH TYR A 71 -14.420 11.557 -2.551 1.00 0.00 O ATOM 0 H TYR A 71 -11.379 4.803 -3.373 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.289 7.482 -4.018 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.517 6.269 -1.571 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.160 7.350 -1.323 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -13.017 7.443 -3.763 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.970 9.412 -0.587 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.515 9.376 -3.997 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -12.468 11.343 -0.817 1.00 0.00 H new ATOM 0 HH TYR A 71 -14.177 12.241 -1.892 1.00 0.00 H new ATOM 1039 N GLY A 72 -8.854 4.815 -2.751 1.00 0.00 N ATOM 1040 CA GLY A 72 -7.563 4.202 -2.500 1.00 0.00 C ATOM 1041 C GLY A 72 -7.208 3.152 -3.534 1.00 0.00 C ATOM 1042 O GLY A 72 -8.016 2.832 -4.407 1.00 0.00 O ATOM 0 H GLY A 72 -9.653 4.192 -2.638 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -6.793 4.974 -2.492 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.567 3.746 -1.510 1.00 0.00 H new ATOM 1046 N VAL A 73 -5.997 2.613 -3.437 1.00 0.00 N ATOM 1047 CA VAL A 73 -5.537 1.594 -4.372 1.00 0.00 C ATOM 1048 C VAL A 73 -4.609 0.596 -3.685 1.00 0.00 C ATOM 1049 O VAL A 73 -4.100 0.857 -2.595 1.00 0.00 O ATOM 1050 CB VAL A 73 -4.799 2.219 -5.571 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -5.774 2.971 -6.464 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -3.686 3.138 -5.091 1.00 0.00 C ATOM 0 H VAL A 73 -5.317 2.865 -2.720 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.425 1.075 -4.733 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.350 1.417 -6.157 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.235 3.406 -7.306 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -6.533 2.282 -6.836 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.254 3.765 -5.891 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.175 3.571 -5.951 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.110 3.936 -4.482 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.974 2.567 -4.496 1.00 0.00 H new ATOM 1062 N LEU A 74 -4.394 -0.545 -4.330 1.00 0.00 N ATOM 1063 CA LEU A 74 -3.527 -1.582 -3.781 1.00 0.00 C ATOM 1064 C LEU A 74 -2.293 -1.778 -4.656 1.00 0.00 C ATOM 1065 O LEU A 74 -2.399 -2.182 -5.815 1.00 0.00 O ATOM 1066 CB LEU A 74 -4.292 -2.901 -3.651 1.00 0.00 C ATOM 1067 CG LEU A 74 -4.929 -3.147 -2.282 1.00 0.00 C ATOM 1068 CD1 LEU A 74 -6.199 -3.971 -2.424 1.00 0.00 C ATOM 1069 CD2 LEU A 74 -3.943 -3.840 -1.354 1.00 0.00 C ATOM 0 H LEU A 74 -4.808 -0.776 -5.233 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.201 -1.262 -2.791 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.075 -2.926 -4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.610 -3.722 -3.870 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.193 -2.183 -1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.638 -4.136 -1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.911 -3.437 -3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.960 -4.932 -2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.412 -4.008 -0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.649 -4.797 -1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.061 -3.213 -1.227 1.00 0.00 H new ATOM 1081 N VAL A 75 -1.123 -1.490 -4.095 1.00 0.00 N ATOM 1082 CA VAL A 75 0.131 -1.635 -4.824 1.00 0.00 C ATOM 1083 C VAL A 75 1.188 -2.324 -3.968 1.00 0.00 C ATOM 1084 O VAL A 75 1.003 -2.509 -2.764 1.00 0.00 O ATOM 1085 CB VAL A 75 0.672 -0.270 -5.287 1.00 0.00 C ATOM 1086 CG1 VAL A 75 -0.190 0.296 -6.405 1.00 0.00 C ATOM 1087 CG2 VAL A 75 0.746 0.700 -4.118 1.00 0.00 C ATOM 0 H VAL A 75 -1.018 -1.155 -3.137 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.081 -2.249 -5.699 1.00 0.00 H new ATOM 0 HB VAL A 75 1.681 -0.413 -5.675 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.208 1.261 -6.719 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.185 -0.391 -7.251 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.212 0.424 -6.047 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.131 1.659 -4.465 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.250 0.839 -3.697 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.410 0.298 -3.353 1.00 0.00 H new ATOM 1097 N ARG A 76 2.296 -2.703 -4.595 1.00 0.00 N ATOM 1098 CA ARG A 76 3.382 -3.373 -3.890 1.00 0.00 C ATOM 1099 C ARG A 76 4.538 -2.410 -3.621 1.00 0.00 C ATOM 1100 O ARG A 76 4.726 -1.436 -4.344 1.00 0.00 O ATOM 1101 CB ARG A 76 3.880 -4.573 -4.698 1.00 0.00 C ATOM 1102 CG ARG A 76 2.760 -5.435 -5.259 1.00 0.00 C ATOM 1103 CD ARG A 76 3.288 -6.750 -5.810 1.00 0.00 C ATOM 1104 NE ARG A 76 4.411 -6.553 -6.725 1.00 0.00 N ATOM 1105 CZ ARG A 76 5.691 -6.585 -6.355 1.00 0.00 C ATOM 1106 NH1 ARG A 76 6.023 -6.800 -5.088 1.00 0.00 N ATOM 1107 NH2 ARG A 76 6.644 -6.403 -7.259 1.00 0.00 N ATOM 0 H ARG A 76 2.466 -2.558 -5.590 1.00 0.00 H new ATOM 0 HA ARG A 76 2.996 -3.723 -2.933 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.499 -4.215 -5.521 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.518 -5.188 -4.064 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.028 -5.635 -4.477 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.242 -4.891 -6.049 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.602 -7.388 -4.984 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.485 -7.273 -6.330 1.00 0.00 H new ATOM 0 HE ARG A 76 4.202 -6.380 -7.708 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.296 -6.943 -4.387 1.00 0.00 H new ATOM 0 HH12 ARG A 76 7.006 -6.823 -4.815 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.397 -6.239 -8.235 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.624 -6.427 -6.978 1.00 0.00 H new ATOM 1121 N PRO A 77 5.329 -2.677 -2.564 1.00 0.00 N ATOM 1122 CA PRO A 77 6.470 -1.834 -2.202 1.00 0.00 C ATOM 1123 C PRO A 77 7.295 -1.465 -3.425 1.00 0.00 C ATOM 1124 O PRO A 77 7.519 -0.290 -3.711 1.00 0.00 O ATOM 1125 CB PRO A 77 7.272 -2.724 -1.256 1.00 0.00 C ATOM 1126 CG PRO A 77 6.253 -3.600 -0.613 1.00 0.00 C ATOM 1127 CD PRO A 77 5.175 -3.821 -1.643 1.00 0.00 C ATOM 0 HA PRO A 77 6.171 -0.886 -1.755 1.00 0.00 H new ATOM 0 HB2 PRO A 77 8.015 -3.310 -1.797 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.811 -2.132 -0.516 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.694 -4.547 -0.303 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.845 -3.130 0.282 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.305 -4.772 -2.160 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.185 -3.838 -1.188 1.00 0.00 H new ATOM 1135 N SER A 78 7.727 -2.489 -4.154 1.00 0.00 N ATOM 1136 CA SER A 78 8.509 -2.288 -5.362 1.00 0.00 C ATOM 1137 C SER A 78 7.750 -1.383 -6.325 1.00 0.00 C ATOM 1138 O SER A 78 8.347 -0.727 -7.178 1.00 0.00 O ATOM 1139 CB SER A 78 8.817 -3.629 -6.030 1.00 0.00 C ATOM 1140 OG SER A 78 10.116 -4.082 -5.689 1.00 0.00 O ATOM 0 H SER A 78 7.547 -3.467 -3.926 1.00 0.00 H new ATOM 0 HA SER A 78 9.452 -1.812 -5.094 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.078 -4.370 -5.724 1.00 0.00 H new ATOM 0 HB3 SER A 78 8.736 -3.527 -7.112 1.00 0.00 H new ATOM 0 HG SER A 78 10.288 -4.942 -6.127 1.00 0.00 H new ATOM 1146 N ARG A 79 6.426 -1.342 -6.170 1.00 0.00 N ATOM 1147 CA ARG A 79 5.595 -0.502 -7.019 1.00 0.00 C ATOM 1148 C ARG A 79 5.433 0.887 -6.407 1.00 0.00 C ATOM 1149 O ARG A 79 4.931 1.803 -7.060 1.00 0.00 O ATOM 1150 CB ARG A 79 4.224 -1.144 -7.236 1.00 0.00 C ATOM 1151 CG ARG A 79 4.283 -2.474 -7.968 1.00 0.00 C ATOM 1152 CD ARG A 79 4.124 -2.293 -9.470 1.00 0.00 C ATOM 1153 NE ARG A 79 5.403 -2.381 -10.170 1.00 0.00 N ATOM 1154 CZ ARG A 79 5.529 -2.326 -11.494 1.00 0.00 C ATOM 1155 NH1 ARG A 79 4.457 -2.185 -12.264 1.00 0.00 N ATOM 1156 NH2 ARG A 79 6.729 -2.415 -12.050 1.00 0.00 N ATOM 0 H ARG A 79 5.914 -1.878 -5.469 1.00 0.00 H new ATOM 0 HA ARG A 79 6.090 -0.402 -7.985 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.745 -1.293 -6.268 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.595 -0.456 -7.801 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.234 -2.964 -7.758 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.497 -3.131 -7.595 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.446 -3.053 -9.857 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.666 -1.325 -9.672 1.00 0.00 H new ATOM 0 HE ARG A 79 6.249 -2.491 -9.611 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.531 -2.118 -11.842 1.00 0.00 H new ATOM 0 HH12 ARG A 79 4.559 -2.143 -13.278 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.556 -2.526 -11.463 1.00 0.00 H new ATOM 0 HH22 ARG A 79 6.825 -2.373 -13.065 1.00 0.00 H new ATOM 1170 N VAL A 80 5.864 1.048 -5.153 1.00 0.00 N ATOM 1171 CA VAL A 80 5.759 2.340 -4.481 1.00 0.00 C ATOM 1172 C VAL A 80 7.117 2.810 -3.968 1.00 0.00 C ATOM 1173 O VAL A 80 7.793 2.099 -3.226 1.00 0.00 O ATOM 1174 CB VAL A 80 4.767 2.293 -3.305 1.00 0.00 C ATOM 1175 CG1 VAL A 80 3.333 2.273 -3.813 1.00 0.00 C ATOM 1176 CG2 VAL A 80 5.041 1.090 -2.418 1.00 0.00 C ATOM 0 H VAL A 80 6.284 0.308 -4.591 1.00 0.00 H new ATOM 0 HA VAL A 80 5.390 3.046 -5.225 1.00 0.00 H new ATOM 0 HB VAL A 80 4.904 3.194 -2.707 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.647 2.240 -2.966 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.142 3.172 -4.399 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.181 1.393 -4.438 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.328 1.076 -1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.937 0.176 -3.002 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.054 1.154 -2.021 1.00 0.00 H new ATOM 1186 N THR A 81 7.506 4.015 -4.369 1.00 0.00 N ATOM 1187 CA THR A 81 8.783 4.583 -3.950 1.00 0.00 C ATOM 1188 C THR A 81 8.656 5.260 -2.589 1.00 0.00 C ATOM 1189 O THR A 81 7.755 6.068 -2.368 1.00 0.00 O ATOM 1190 CB THR A 81 9.281 5.591 -4.989 1.00 0.00 C ATOM 1191 OG1 THR A 81 9.216 5.040 -6.292 1.00 0.00 O ATOM 1192 CG2 THR A 81 10.707 6.040 -4.751 1.00 0.00 C ATOM 0 H THR A 81 6.957 4.617 -4.983 1.00 0.00 H new ATOM 0 HA THR A 81 9.505 3.770 -3.866 1.00 0.00 H new ATOM 0 HB THR A 81 8.624 6.455 -4.892 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.537 5.699 -6.942 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.997 6.753 -5.522 1.00 0.00 H new ATOM 0 HG22 THR A 81 10.781 6.514 -3.772 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.371 5.176 -4.787 1.00 0.00 H new