USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 766 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 71 ASN : amide:sc= 0.873 K(o=3,f=-5.4!) USER MOD Set 1.2: A 74 LYS NZ :NH3+ -166:sc= 2.09 (180deg=1.18) USER MOD Set 2.1: A 24 GLN : amide:sc= 0.114 X(o=0.59,f=0.49) USER MOD Set 2.2: A 33 LYS NZ :NH3+ 178:sc= 0.476 (180deg=0.495) USER MOD Single : A 13 SER OG : rot -31:sc= 0.53 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -169:sc= -1.09 (180deg=-1.36) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -94:sc= 0.111 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -37:sc= 0.0367 USER MOD Single : A 79 THR OG1 : rot 90:sc= 1.25 USER MOD Single : A 83 LYS NZ :NH3+ -160:sc= -0.0272 (180deg=-0.208) USER MOD Single : A 84 ASN : amide:sc= 1.03 K(o=1,f=-0.0015) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 35:sc= 1.25 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 176 N GLU A 12 -9.576 1.643 3.246 1.00 0.00 N ATOM 177 CA GLU A 12 -8.374 2.441 3.502 1.00 0.00 C ATOM 178 C GLU A 12 -7.824 2.043 4.883 1.00 0.00 C ATOM 179 O GLU A 12 -6.805 1.359 4.940 1.00 0.00 O ATOM 180 CB GLU A 12 -8.819 3.913 3.364 1.00 0.00 C ATOM 181 CG GLU A 12 -9.157 4.224 1.885 1.00 0.00 C ATOM 182 CD GLU A 12 -10.001 5.473 1.624 1.00 0.00 C ATOM 183 OE1 GLU A 12 -10.558 6.071 2.573 1.00 0.00 O ATOM 184 OE2 GLU A 12 -10.184 5.783 0.423 1.00 0.00 O ATOM 0 HA GLU A 12 -7.550 2.276 2.807 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.690 4.099 3.992 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.027 4.576 3.712 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.221 4.324 1.335 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.682 3.365 1.467 1.00 0.00 H new ATOM 191 N SER A 13 -8.491 2.360 5.998 1.00 0.00 N ATOM 192 CA SER A 13 -7.939 2.043 7.323 1.00 0.00 C ATOM 193 C SER A 13 -7.886 0.535 7.635 1.00 0.00 C ATOM 194 O SER A 13 -7.319 0.178 8.666 1.00 0.00 O ATOM 195 CB SER A 13 -8.719 2.792 8.412 1.00 0.00 C ATOM 196 OG SER A 13 -8.070 2.681 9.669 1.00 0.00 O ATOM 0 H SER A 13 -9.398 2.827 6.013 1.00 0.00 H new ATOM 0 HA SER A 13 -6.902 2.379 7.310 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.814 3.843 8.139 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.729 2.389 8.483 1.00 0.00 H new ATOM 0 HG SER A 13 -7.605 1.820 9.722 1.00 0.00 H new ATOM 202 N GLU A 14 -8.470 -0.344 6.817 1.00 0.00 N ATOM 203 CA GLU A 14 -8.363 -1.787 6.960 1.00 0.00 C ATOM 204 C GLU A 14 -7.032 -2.229 6.347 1.00 0.00 C ATOM 205 O GLU A 14 -6.156 -2.765 7.023 1.00 0.00 O ATOM 206 CB GLU A 14 -9.557 -2.417 6.222 1.00 0.00 C ATOM 207 CG GLU A 14 -10.915 -2.081 6.855 1.00 0.00 C ATOM 208 CD GLU A 14 -11.070 -2.672 8.255 1.00 0.00 C ATOM 209 OE1 GLU A 14 -11.040 -3.917 8.369 1.00 0.00 O ATOM 210 OE2 GLU A 14 -11.258 -1.906 9.230 1.00 0.00 O ATOM 0 H GLU A 14 -9.042 -0.060 6.021 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.384 -2.101 8.004 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.554 -2.077 5.186 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.432 -3.500 6.203 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.030 -0.998 6.906 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.713 -2.457 6.215 1.00 0.00 H new ATOM 217 N ILE A 15 -6.873 -1.944 5.053 1.00 0.00 N ATOM 218 CA ILE A 15 -5.716 -2.241 4.226 1.00 0.00 C ATOM 219 C ILE A 15 -4.471 -1.692 4.914 1.00 0.00 C ATOM 220 O ILE A 15 -3.473 -2.397 4.990 1.00 0.00 O ATOM 221 CB ILE A 15 -5.981 -1.680 2.804 1.00 0.00 C ATOM 222 CG1 ILE A 15 -7.054 -2.567 2.127 1.00 0.00 C ATOM 223 CG2 ILE A 15 -4.735 -1.615 1.909 1.00 0.00 C ATOM 224 CD1 ILE A 15 -7.677 -1.942 0.875 1.00 0.00 C ATOM 0 H ILE A 15 -7.603 -1.467 4.525 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.542 -3.310 4.106 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.315 -0.649 2.924 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.604 -3.523 1.858 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.844 -2.778 2.847 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.008 -1.212 0.934 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.988 -0.970 2.372 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.323 -2.617 1.785 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.419 -2.624 0.459 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.158 -1.000 1.139 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.898 -1.757 0.135 1.00 0.00 H new ATOM 236 N GLN A 16 -4.540 -0.491 5.485 1.00 0.00 N ATOM 237 CA GLN A 16 -3.449 0.184 6.159 1.00 0.00 C ATOM 238 C GLN A 16 -2.669 -0.709 7.143 1.00 0.00 C ATOM 239 O GLN A 16 -1.453 -0.544 7.277 1.00 0.00 O ATOM 240 CB GLN A 16 -4.072 1.386 6.881 1.00 0.00 C ATOM 241 CG GLN A 16 -3.074 2.493 7.186 1.00 0.00 C ATOM 242 CD GLN A 16 -3.459 3.188 8.485 1.00 0.00 C ATOM 243 OE1 GLN A 16 -4.500 3.834 8.595 1.00 0.00 O ATOM 244 NE2 GLN A 16 -2.660 2.986 9.511 1.00 0.00 N ATOM 0 H GLN A 16 -5.400 0.057 5.487 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.703 0.483 5.423 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.877 1.792 6.268 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.523 1.046 7.814 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.070 2.078 7.268 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.055 3.214 6.369 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.803 2.446 9.391 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.898 3.369 10.426 1.00 0.00 H new ATOM 253 N LYS A 17 -3.338 -1.628 7.847 1.00 0.00 N ATOM 254 CA LYS A 17 -2.703 -2.576 8.770 1.00 0.00 C ATOM 255 C LYS A 17 -2.327 -3.874 8.057 1.00 0.00 C ATOM 256 O LYS A 17 -1.322 -4.501 8.395 1.00 0.00 O ATOM 257 CB LYS A 17 -3.655 -2.848 9.942 1.00 0.00 C ATOM 258 CG LYS A 17 -3.184 -2.174 11.240 1.00 0.00 C ATOM 259 CD LYS A 17 -4.250 -2.216 12.343 1.00 0.00 C ATOM 260 CE LYS A 17 -4.644 -3.649 12.722 1.00 0.00 C ATOM 261 NZ LYS A 17 -5.693 -3.685 13.758 1.00 0.00 N ATOM 0 H LYS A 17 -4.351 -1.736 7.791 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.779 -2.140 9.150 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.652 -2.488 9.689 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.735 -3.923 10.101 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.279 -2.668 11.594 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.921 -1.137 11.032 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.875 -1.700 13.227 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.135 -1.675 12.009 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.995 -4.174 11.834 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.764 -4.183 13.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.926 -4.674 13.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.350 -3.208 14.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.543 -3.199 13.408 1.00 0.00 H new ATOM 275 N LEU A 18 -3.116 -4.290 7.069 1.00 0.00 N ATOM 276 CA LEU A 18 -2.881 -5.506 6.302 1.00 0.00 C ATOM 277 C LEU A 18 -1.617 -5.392 5.439 1.00 0.00 C ATOM 278 O LEU A 18 -1.009 -6.419 5.137 1.00 0.00 O ATOM 279 CB LEU A 18 -4.129 -5.866 5.470 1.00 0.00 C ATOM 280 CG LEU A 18 -5.372 -6.180 6.336 1.00 0.00 C ATOM 281 CD1 LEU A 18 -6.631 -6.317 5.476 1.00 0.00 C ATOM 282 CD2 LEU A 18 -5.193 -7.473 7.137 1.00 0.00 C ATOM 0 H LEU A 18 -3.950 -3.781 6.776 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.703 -6.325 6.999 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.361 -5.038 4.800 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.903 -6.729 4.844 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.484 -5.341 7.023 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.486 -6.538 6.115 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.809 -5.384 4.941 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.496 -7.127 4.759 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.087 -7.659 7.732 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.033 -8.306 6.452 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.331 -7.376 7.797 1.00 0.00 H new ATOM 294 N LEU A 19 -1.152 -4.196 5.050 1.00 0.00 N ATOM 295 CA LEU A 19 0.177 -4.056 4.491 1.00 0.00 C ATOM 296 C LEU A 19 1.274 -4.278 5.535 1.00 0.00 C ATOM 297 O LEU A 19 2.307 -4.867 5.212 1.00 0.00 O ATOM 298 CB LEU A 19 0.308 -2.642 3.956 1.00 0.00 C ATOM 299 CG LEU A 19 -0.271 -2.253 2.616 1.00 0.00 C ATOM 300 CD1 LEU A 19 0.634 -2.642 1.445 1.00 0.00 C ATOM 301 CD2 LEU A 19 -1.633 -2.781 2.352 1.00 0.00 C ATOM 0 H LEU A 19 -1.680 -3.326 5.116 1.00 0.00 H new ATOM 0 HA LEU A 19 0.302 -4.808 3.712 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.136 -1.979 4.699 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.373 -2.413 3.920 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.343 -1.168 2.686 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.167 -2.338 0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.598 -2.144 1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.782 -3.722 1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.967 -2.451 1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.613 -3.870 2.382 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.321 -2.410 3.112 1.00 0.00 H new ATOM 313 N MET A 20 1.120 -3.746 6.753 1.00 0.00 N ATOM 314 CA MET A 20 2.197 -3.741 7.740 1.00 0.00 C ATOM 315 C MET A 20 2.569 -5.159 8.160 1.00 0.00 C ATOM 316 O MET A 20 3.748 -5.511 8.170 1.00 0.00 O ATOM 317 CB MET A 20 1.790 -2.939 8.984 1.00 0.00 C ATOM 318 CG MET A 20 1.750 -1.424 8.761 1.00 0.00 C ATOM 319 SD MET A 20 3.273 -0.570 8.222 1.00 0.00 S ATOM 320 CE MET A 20 4.607 -1.596 8.908 1.00 0.00 C ATOM 0 H MET A 20 0.255 -3.313 7.076 1.00 0.00 H new ATOM 0 HA MET A 20 3.063 -3.272 7.272 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.807 -3.274 9.314 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.489 -3.159 9.791 1.00 0.00 H new ATOM 0 HG2 MET A 20 0.978 -1.220 8.019 1.00 0.00 H new ATOM 0 HG3 MET A 20 1.426 -0.962 9.694 1.00 0.00 H new ATOM 0 HE1 MET A 20 5.557 -1.070 8.811 1.00 0.00 H new ATOM 0 HE2 MET A 20 4.408 -1.795 9.961 1.00 0.00 H new ATOM 0 HE3 MET A 20 4.657 -2.539 8.364 1.00 0.00 H new ATOM 330 N GLU A 21 1.560 -5.973 8.460 1.00 0.00 N ATOM 331 CA GLU A 21 1.708 -7.376 8.822 1.00 0.00 C ATOM 332 C GLU A 21 2.535 -8.123 7.771 1.00 0.00 C ATOM 333 O GLU A 21 3.513 -8.798 8.105 1.00 0.00 O ATOM 334 CB GLU A 21 0.296 -7.977 8.959 1.00 0.00 C ATOM 335 CG GLU A 21 -0.036 -8.399 10.391 1.00 0.00 C ATOM 336 CD GLU A 21 0.082 -9.913 10.576 1.00 0.00 C ATOM 337 OE1 GLU A 21 1.169 -10.481 10.325 1.00 0.00 O ATOM 338 OE2 GLU A 21 -0.940 -10.525 10.963 1.00 0.00 O ATOM 0 H GLU A 21 0.588 -5.663 8.457 1.00 0.00 H new ATOM 0 HA GLU A 21 2.242 -7.472 9.767 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.439 -7.246 8.622 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.210 -8.842 8.302 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.637 -7.894 11.084 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.048 -8.080 10.639 1.00 0.00 H new ATOM 345 N ALA A 22 2.173 -7.954 6.495 1.00 0.00 N ATOM 346 CA ALA A 22 2.878 -8.559 5.380 1.00 0.00 C ATOM 347 C ALA A 22 4.328 -8.055 5.325 1.00 0.00 C ATOM 348 O ALA A 22 5.252 -8.856 5.209 1.00 0.00 O ATOM 349 CB ALA A 22 2.103 -8.274 4.086 1.00 0.00 C ATOM 0 H ALA A 22 1.374 -7.386 6.213 1.00 0.00 H new ATOM 0 HA ALA A 22 2.932 -9.640 5.508 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.625 -8.725 3.242 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.101 -8.697 4.161 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.031 -7.197 3.935 1.00 0.00 H new ATOM 355 N LEU A 23 4.542 -6.740 5.418 1.00 0.00 N ATOM 356 CA LEU A 23 5.853 -6.099 5.330 1.00 0.00 C ATOM 357 C LEU A 23 6.819 -6.624 6.391 1.00 0.00 C ATOM 358 O LEU A 23 8.000 -6.816 6.088 1.00 0.00 O ATOM 359 CB LEU A 23 5.662 -4.583 5.500 1.00 0.00 C ATOM 360 CG LEU A 23 6.975 -3.785 5.492 1.00 0.00 C ATOM 361 CD1 LEU A 23 7.631 -3.766 4.109 1.00 0.00 C ATOM 362 CD2 LEU A 23 6.686 -2.351 5.916 1.00 0.00 C ATOM 0 H LEU A 23 3.783 -6.073 5.561 1.00 0.00 H new ATOM 0 HA LEU A 23 6.290 -6.328 4.358 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.020 -4.216 4.699 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.140 -4.395 6.438 1.00 0.00 H new ATOM 0 HG LEU A 23 7.663 -4.270 6.184 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.556 -3.190 4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.853 -4.787 3.798 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.952 -3.307 3.390 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.613 -1.777 5.913 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.978 -1.901 5.219 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.260 -2.347 6.919 1.00 0.00 H new ATOM 374 N GLN A 24 6.354 -6.827 7.625 1.00 0.00 N ATOM 375 CA GLN A 24 7.199 -7.340 8.690 1.00 0.00 C ATOM 376 C GLN A 24 7.758 -8.717 8.309 1.00 0.00 C ATOM 377 O GLN A 24 8.923 -8.986 8.603 1.00 0.00 O ATOM 378 CB GLN A 24 6.407 -7.384 10.005 1.00 0.00 C ATOM 379 CG GLN A 24 6.143 -5.997 10.621 1.00 0.00 C ATOM 380 CD GLN A 24 7.324 -5.472 11.446 1.00 0.00 C ATOM 381 OE1 GLN A 24 7.412 -5.716 12.649 1.00 0.00 O ATOM 382 NE2 GLN A 24 8.249 -4.730 10.859 1.00 0.00 N ATOM 0 H GLN A 24 5.391 -6.641 7.906 1.00 0.00 H new ATOM 0 HA GLN A 24 8.050 -6.675 8.835 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.452 -7.879 9.827 1.00 0.00 H new ATOM 0 HB3 GLN A 24 6.952 -7.993 10.726 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.921 -5.288 9.824 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.259 -6.050 11.256 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.181 -4.525 9.862 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.030 -4.363 11.403 1.00 0.00 H new ATOM 391 N GLN A 25 6.981 -9.545 7.603 1.00 0.00 N ATOM 392 CA GLN A 25 7.351 -10.898 7.189 1.00 0.00 C ATOM 393 C GLN A 25 8.000 -10.948 5.791 1.00 0.00 C ATOM 394 O GLN A 25 8.321 -12.039 5.314 1.00 0.00 O ATOM 395 CB GLN A 25 6.096 -11.789 7.224 1.00 0.00 C ATOM 396 CG GLN A 25 5.446 -11.855 8.612 1.00 0.00 C ATOM 397 CD GLN A 25 4.327 -12.892 8.683 1.00 0.00 C ATOM 398 OE1 GLN A 25 3.411 -12.907 7.860 1.00 0.00 O ATOM 399 NE2 GLN A 25 4.352 -13.778 9.663 1.00 0.00 N ATOM 0 H GLN A 25 6.045 -9.280 7.295 1.00 0.00 H new ATOM 0 HA GLN A 25 8.104 -11.263 7.888 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.368 -11.411 6.506 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.364 -12.797 6.906 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.207 -12.094 9.355 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.046 -10.874 8.870 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.111 -13.764 10.344 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.612 -14.476 9.739 1.00 0.00 H new ATOM 408 N LEU A 26 8.149 -9.806 5.110 1.00 0.00 N ATOM 409 CA LEU A 26 8.644 -9.737 3.736 1.00 0.00 C ATOM 410 C LEU A 26 10.149 -10.026 3.672 1.00 0.00 C ATOM 411 O LEU A 26 10.586 -10.886 2.913 1.00 0.00 O ATOM 412 CB LEU A 26 8.285 -8.360 3.137 1.00 0.00 C ATOM 413 CG LEU A 26 8.917 -8.059 1.767 1.00 0.00 C ATOM 414 CD1 LEU A 26 8.546 -9.085 0.696 1.00 0.00 C ATOM 415 CD2 LEU A 26 8.501 -6.669 1.280 1.00 0.00 C ATOM 0 H LEU A 26 7.925 -8.893 5.506 1.00 0.00 H new ATOM 0 HA LEU A 26 8.162 -10.509 3.136 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.201 -8.294 3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.591 -7.585 3.839 1.00 0.00 H new ATOM 0 HG LEU A 26 9.996 -8.107 1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.023 -8.816 -0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.886 -10.073 1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.464 -9.098 0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.957 -6.472 0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.416 -6.626 1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.834 -5.918 1.996 1.00 0.00 H new ATOM 427 N ARG A 27 10.954 -9.257 4.416 1.00 0.00 N ATOM 428 CA ARG A 27 12.423 -9.301 4.410 1.00 0.00 C ATOM 429 C ARG A 27 13.032 -9.376 2.995 1.00 0.00 C ATOM 430 O ARG A 27 13.913 -10.199 2.721 1.00 0.00 O ATOM 431 CB ARG A 27 12.945 -10.411 5.345 1.00 0.00 C ATOM 432 CG ARG A 27 14.327 -10.023 5.901 1.00 0.00 C ATOM 433 CD ARG A 27 15.229 -11.235 6.126 1.00 0.00 C ATOM 434 NE ARG A 27 14.817 -12.056 7.278 1.00 0.00 N ATOM 435 CZ ARG A 27 15.200 -13.323 7.480 1.00 0.00 C ATOM 436 NH1 ARG A 27 15.806 -14.011 6.520 1.00 0.00 N ATOM 437 NH2 ARG A 27 14.982 -13.914 8.646 1.00 0.00 N ATOM 0 H ARG A 27 10.586 -8.560 5.064 1.00 0.00 H new ATOM 0 HA ARG A 27 12.767 -8.346 4.807 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.244 -10.566 6.165 1.00 0.00 H new ATOM 0 HB3 ARG A 27 13.014 -11.353 4.802 1.00 0.00 H new ATOM 0 HG2 ARG A 27 14.813 -9.336 5.209 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.199 -9.489 6.843 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.228 -11.853 5.228 1.00 0.00 H new ATOM 0 HD3 ARG A 27 16.253 -10.895 6.278 1.00 0.00 H new ATOM 0 HE ARG A 27 14.198 -11.630 7.968 1.00 0.00 H new ATOM 0 HH11 ARG A 27 15.985 -13.575 5.615 1.00 0.00 H new ATOM 0 HH12 ARG A 27 16.093 -14.976 6.687 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.519 -13.403 9.398 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.277 -14.880 8.791 1.00 0.00 H new ATOM 451 N ASP A 28 12.593 -8.489 2.101 1.00 0.00 N ATOM 452 CA ASP A 28 13.173 -8.323 0.764 1.00 0.00 C ATOM 453 C ASP A 28 14.703 -8.159 0.867 1.00 0.00 C ATOM 454 O ASP A 28 15.161 -7.515 1.814 1.00 0.00 O ATOM 455 CB ASP A 28 12.562 -7.068 0.125 1.00 0.00 C ATOM 456 CG ASP A 28 13.327 -6.631 -1.121 1.00 0.00 C ATOM 457 OD1 ASP A 28 14.291 -5.848 -0.995 1.00 0.00 O ATOM 458 OD2 ASP A 28 12.993 -7.102 -2.228 1.00 0.00 O ATOM 0 H ASP A 28 11.814 -7.856 2.286 1.00 0.00 H new ATOM 0 HA ASP A 28 12.958 -9.201 0.155 1.00 0.00 H new ATOM 0 HB2 ASP A 28 11.523 -7.264 -0.138 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.559 -6.256 0.852 1.00 0.00 H new ATOM 463 N PRO A 29 15.517 -8.675 -0.074 1.00 0.00 N ATOM 464 CA PRO A 29 16.975 -8.709 0.056 1.00 0.00 C ATOM 465 C PRO A 29 17.669 -7.346 0.073 1.00 0.00 C ATOM 466 O PRO A 29 18.848 -7.285 0.419 1.00 0.00 O ATOM 467 CB PRO A 29 17.483 -9.555 -1.117 1.00 0.00 C ATOM 468 CG PRO A 29 16.350 -9.501 -2.134 1.00 0.00 C ATOM 469 CD PRO A 29 15.127 -9.469 -1.225 1.00 0.00 C ATOM 0 HA PRO A 29 17.219 -9.129 1.032 1.00 0.00 H new ATOM 0 HB2 PRO A 29 18.408 -9.151 -1.529 1.00 0.00 H new ATOM 0 HB3 PRO A 29 17.693 -10.579 -0.808 1.00 0.00 H new ATOM 0 HG2 PRO A 29 16.412 -8.618 -2.770 1.00 0.00 H new ATOM 0 HG3 PRO A 29 16.349 -10.369 -2.793 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.271 -9.026 -1.735 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.834 -10.475 -0.926 1.00 0.00 H new ATOM 477 N ARG A 30 16.988 -6.264 -0.304 1.00 0.00 N ATOM 478 CA ARG A 30 17.615 -4.958 -0.523 1.00 0.00 C ATOM 479 C ARG A 30 16.859 -3.781 0.083 1.00 0.00 C ATOM 480 O ARG A 30 17.309 -2.639 -0.001 1.00 0.00 O ATOM 481 CB ARG A 30 17.836 -4.785 -2.036 1.00 0.00 C ATOM 482 CG ARG A 30 19.224 -4.201 -2.260 1.00 0.00 C ATOM 483 CD ARG A 30 19.617 -4.166 -3.740 1.00 0.00 C ATOM 484 NE ARG A 30 20.744 -3.244 -3.935 1.00 0.00 N ATOM 485 CZ ARG A 30 20.924 -2.436 -4.979 1.00 0.00 C ATOM 486 NH1 ARG A 30 20.379 -2.706 -6.157 1.00 0.00 N ATOM 487 NH2 ARG A 30 21.713 -1.380 -4.852 1.00 0.00 N ATOM 0 H ARG A 30 15.981 -6.267 -0.467 1.00 0.00 H new ATOM 0 HA ARG A 30 18.566 -4.950 0.009 1.00 0.00 H new ATOM 0 HB2 ARG A 30 17.743 -5.745 -2.544 1.00 0.00 H new ATOM 0 HB3 ARG A 30 17.076 -4.126 -2.457 1.00 0.00 H new ATOM 0 HG2 ARG A 30 19.258 -3.190 -1.855 1.00 0.00 H new ATOM 0 HG3 ARG A 30 19.956 -4.791 -1.708 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.891 -5.166 -4.076 1.00 0.00 H new ATOM 0 HD3 ARG A 30 18.767 -3.848 -4.344 1.00 0.00 H new ATOM 0 HE ARG A 30 21.454 -3.220 -3.203 1.00 0.00 H new ATOM 0 HH11 ARG A 30 19.810 -3.544 -6.276 1.00 0.00 H new ATOM 0 HH12 ARG A 30 20.528 -2.075 -6.945 1.00 0.00 H new ATOM 0 HH21 ARG A 30 22.175 -1.193 -3.962 1.00 0.00 H new ATOM 0 HH22 ARG A 30 21.859 -0.754 -5.644 1.00 0.00 H new ATOM 501 N LEU A 31 15.711 -4.044 0.690 1.00 0.00 N ATOM 502 CA LEU A 31 14.812 -3.038 1.235 1.00 0.00 C ATOM 503 C LEU A 31 14.917 -3.039 2.761 1.00 0.00 C ATOM 504 O LEU A 31 14.671 -4.055 3.418 1.00 0.00 O ATOM 505 CB LEU A 31 13.386 -3.286 0.701 1.00 0.00 C ATOM 506 CG LEU A 31 12.287 -2.286 1.112 1.00 0.00 C ATOM 507 CD1 LEU A 31 11.506 -2.751 2.334 1.00 0.00 C ATOM 508 CD2 LEU A 31 12.743 -0.828 1.256 1.00 0.00 C ATOM 0 H LEU A 31 15.368 -4.996 0.821 1.00 0.00 H new ATOM 0 HA LEU A 31 15.091 -2.036 0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 31 13.433 -3.305 -0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.074 -4.279 1.024 1.00 0.00 H new ATOM 0 HG LEU A 31 11.611 -2.281 0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.744 -2.012 2.582 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.028 -3.706 2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 31 12.186 -2.868 3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.895 -0.209 1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.519 -0.763 2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.140 -0.475 0.304 1.00 0.00 H new ATOM 520 N LYS A 32 15.285 -1.890 3.336 1.00 0.00 N ATOM 521 CA LYS A 32 15.278 -1.619 4.774 1.00 0.00 C ATOM 522 C LYS A 32 13.837 -1.524 5.285 1.00 0.00 C ATOM 523 O LYS A 32 13.302 -0.433 5.477 1.00 0.00 O ATOM 524 CB LYS A 32 16.109 -0.349 5.055 1.00 0.00 C ATOM 525 CG LYS A 32 17.600 -0.701 5.203 1.00 0.00 C ATOM 526 CD LYS A 32 18.596 0.422 4.866 1.00 0.00 C ATOM 527 CE LYS A 32 18.815 0.528 3.353 1.00 0.00 C ATOM 528 NZ LYS A 32 20.128 1.110 2.995 1.00 0.00 N ATOM 0 H LYS A 32 15.609 -1.092 2.789 1.00 0.00 H new ATOM 0 HA LYS A 32 15.744 -2.439 5.321 1.00 0.00 H new ATOM 0 HB2 LYS A 32 15.977 0.366 4.243 1.00 0.00 H new ATOM 0 HB3 LYS A 32 15.751 0.133 5.965 1.00 0.00 H new ATOM 0 HG2 LYS A 32 17.777 -1.020 6.230 1.00 0.00 H new ATOM 0 HG3 LYS A 32 17.816 -1.556 4.562 1.00 0.00 H new ATOM 0 HD2 LYS A 32 18.222 1.371 5.250 1.00 0.00 H new ATOM 0 HD3 LYS A 32 19.547 0.230 5.362 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.731 -0.464 2.910 1.00 0.00 H new ATOM 0 HE3 LYS A 32 18.023 1.139 2.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 20.217 1.156 1.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 20.203 2.069 3.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 20.888 0.515 3.382 1.00 0.00 H new ATOM 542 N LYS A 33 13.172 -2.668 5.459 1.00 0.00 N ATOM 543 CA LYS A 33 11.742 -2.769 5.731 1.00 0.00 C ATOM 544 C LYS A 33 11.332 -2.309 7.116 1.00 0.00 C ATOM 545 O LYS A 33 10.133 -2.278 7.373 1.00 0.00 O ATOM 546 CB LYS A 33 11.255 -4.205 5.514 1.00 0.00 C ATOM 547 CG LYS A 33 12.185 -5.278 6.090 1.00 0.00 C ATOM 548 CD LYS A 33 11.573 -6.140 7.188 1.00 0.00 C ATOM 549 CE LYS A 33 11.242 -5.218 8.358 1.00 0.00 C ATOM 550 NZ LYS A 33 10.844 -5.909 9.603 1.00 0.00 N ATOM 0 H LYS A 33 13.632 -3.577 5.412 1.00 0.00 H new ATOM 0 HA LYS A 33 11.269 -2.087 5.024 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.269 -4.314 5.966 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.137 -4.379 4.444 1.00 0.00 H new ATOM 0 HG2 LYS A 33 12.511 -5.928 5.278 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.076 -4.791 6.486 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.674 -6.641 6.827 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.269 -6.919 7.498 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.111 -4.595 8.568 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.436 -4.549 8.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.672 -5.206 10.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.975 -6.455 9.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.605 -6.552 9.902 1.00 0.00 H new ATOM 564 N ASP A 34 12.249 -2.033 8.037 1.00 0.00 N ATOM 565 CA ASP A 34 11.831 -1.461 9.308 1.00 0.00 C ATOM 566 C ASP A 34 11.732 0.054 9.201 1.00 0.00 C ATOM 567 O ASP A 34 10.889 0.629 9.875 1.00 0.00 O ATOM 568 CB ASP A 34 12.724 -1.940 10.454 1.00 0.00 C ATOM 569 CG ASP A 34 12.272 -3.314 10.957 1.00 0.00 C ATOM 570 OD1 ASP A 34 11.072 -3.527 11.238 1.00 0.00 O ATOM 571 OD2 ASP A 34 13.088 -4.255 10.962 1.00 0.00 O ATOM 0 H ASP A 34 13.252 -2.190 7.934 1.00 0.00 H new ATOM 0 HA ASP A 34 10.831 -1.820 9.550 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.759 -1.994 10.117 1.00 0.00 H new ATOM 0 HB3 ASP A 34 12.692 -1.220 11.272 1.00 0.00 H new ATOM 576 N PHE A 35 12.454 0.710 8.285 1.00 0.00 N ATOM 577 CA PHE A 35 12.407 2.166 8.133 1.00 0.00 C ATOM 578 C PHE A 35 11.193 2.624 7.306 1.00 0.00 C ATOM 579 O PHE A 35 11.237 3.683 6.698 1.00 0.00 O ATOM 580 CB PHE A 35 13.726 2.669 7.506 1.00 0.00 C ATOM 581 CG PHE A 35 15.014 2.410 8.262 1.00 0.00 C ATOM 582 CD1 PHE A 35 15.053 2.425 9.668 1.00 0.00 C ATOM 583 CD2 PHE A 35 16.207 2.229 7.539 1.00 0.00 C ATOM 584 CE1 PHE A 35 16.270 2.229 10.339 1.00 0.00 C ATOM 585 CE2 PHE A 35 17.418 1.991 8.210 1.00 0.00 C ATOM 586 CZ PHE A 35 17.452 1.993 9.615 1.00 0.00 C ATOM 0 H PHE A 35 13.085 0.247 7.631 1.00 0.00 H new ATOM 0 HA PHE A 35 12.292 2.604 9.125 1.00 0.00 H new ATOM 0 HB2 PHE A 35 13.821 2.217 6.519 1.00 0.00 H new ATOM 0 HB3 PHE A 35 13.636 3.745 7.357 1.00 0.00 H new ATOM 0 HD1 PHE A 35 14.146 2.587 10.231 1.00 0.00 H new ATOM 0 HD2 PHE A 35 16.192 2.273 6.460 1.00 0.00 H new ATOM 0 HE1 PHE A 35 16.299 2.260 11.418 1.00 0.00 H new ATOM 0 HE2 PHE A 35 18.321 1.807 7.647 1.00 0.00 H new ATOM 0 HZ PHE A 35 18.381 1.814 10.136 1.00 0.00 H new ATOM 596 N VAL A 36 10.126 1.845 7.182 1.00 0.00 N ATOM 597 CA VAL A 36 8.990 2.123 6.295 1.00 0.00 C ATOM 598 C VAL A 36 7.675 1.976 7.071 1.00 0.00 C ATOM 599 O VAL A 36 7.542 1.061 7.889 1.00 0.00 O ATOM 600 CB VAL A 36 9.108 1.241 5.022 1.00 0.00 C ATOM 601 CG1 VAL A 36 9.494 -0.169 5.375 1.00 0.00 C ATOM 602 CG2 VAL A 36 7.823 1.248 4.188 1.00 0.00 C ATOM 0 H VAL A 36 10.018 0.977 7.707 1.00 0.00 H new ATOM 0 HA VAL A 36 8.999 3.155 5.944 1.00 0.00 H new ATOM 0 HB VAL A 36 9.897 1.679 4.411 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.569 -0.764 4.465 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.456 -0.165 5.887 1.00 0.00 H new ATOM 0 HG13 VAL A 36 8.736 -0.601 6.029 1.00 0.00 H new ATOM 0 HG21 VAL A 36 7.956 0.617 3.309 1.00 0.00 H new ATOM 0 HG22 VAL A 36 6.998 0.865 4.788 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.600 2.267 3.872 1.00 0.00 H new ATOM 612 N THR A 37 6.697 2.850 6.805 1.00 0.00 N ATOM 613 CA THR A 37 5.368 2.818 7.413 1.00 0.00 C ATOM 614 C THR A 37 4.317 3.167 6.348 1.00 0.00 C ATOM 615 O THR A 37 4.495 4.109 5.569 1.00 0.00 O ATOM 616 CB THR A 37 5.331 3.795 8.608 1.00 0.00 C ATOM 617 OG1 THR A 37 6.223 3.378 9.620 1.00 0.00 O ATOM 618 CG2 THR A 37 3.947 3.884 9.266 1.00 0.00 C ATOM 0 H THR A 37 6.814 3.617 6.144 1.00 0.00 H new ATOM 0 HA THR A 37 5.141 1.821 7.792 1.00 0.00 H new ATOM 0 HB THR A 37 5.605 4.765 8.194 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.187 4.010 10.368 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.985 4.586 10.099 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.217 4.229 8.533 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.655 2.900 9.633 1.00 0.00 H new ATOM 626 N PHE A 38 3.204 2.426 6.326 1.00 0.00 N ATOM 627 CA PHE A 38 2.011 2.744 5.541 1.00 0.00 C ATOM 628 C PHE A 38 1.070 3.532 6.433 1.00 0.00 C ATOM 629 O PHE A 38 0.764 3.097 7.549 1.00 0.00 O ATOM 630 CB PHE A 38 1.341 1.456 5.032 1.00 0.00 C ATOM 631 CG PHE A 38 2.341 0.516 4.398 1.00 0.00 C ATOM 632 CD1 PHE A 38 3.078 0.924 3.276 1.00 0.00 C ATOM 633 CD2 PHE A 38 2.611 -0.724 4.989 1.00 0.00 C ATOM 634 CE1 PHE A 38 4.048 0.073 2.716 1.00 0.00 C ATOM 635 CE2 PHE A 38 3.578 -1.575 4.435 1.00 0.00 C ATOM 636 CZ PHE A 38 4.286 -1.189 3.285 1.00 0.00 C ATOM 0 H PHE A 38 3.108 1.567 6.868 1.00 0.00 H new ATOM 0 HA PHE A 38 2.276 3.335 4.664 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.844 0.953 5.861 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.570 1.710 4.305 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.900 1.896 2.840 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.072 -1.026 5.875 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.609 0.390 1.849 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.779 -2.531 4.895 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.008 -1.858 2.841 1.00 0.00 H new ATOM 646 N SER A 39 0.640 4.690 5.943 1.00 0.00 N ATOM 647 CA SER A 39 -0.086 5.669 6.731 1.00 0.00 C ATOM 648 C SER A 39 -1.368 6.042 5.992 1.00 0.00 C ATOM 649 O SER A 39 -2.446 5.629 6.420 1.00 0.00 O ATOM 650 CB SER A 39 0.860 6.837 7.057 1.00 0.00 C ATOM 651 OG SER A 39 0.497 7.445 8.273 1.00 0.00 O ATOM 0 H SER A 39 0.790 4.975 4.975 1.00 0.00 H new ATOM 0 HA SER A 39 -0.412 5.279 7.696 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.886 6.475 7.118 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.829 7.572 6.253 1.00 0.00 H new ATOM 0 HG SER A 39 1.111 8.185 8.465 1.00 0.00 H new ATOM 657 N ARG A 40 -1.276 6.742 4.859 1.00 0.00 N ATOM 658 CA ARG A 40 -2.446 7.080 4.052 1.00 0.00 C ATOM 659 C ARG A 40 -2.667 5.973 3.032 1.00 0.00 C ATOM 660 O ARG A 40 -1.731 5.506 2.387 1.00 0.00 O ATOM 661 CB ARG A 40 -2.238 8.449 3.388 1.00 0.00 C ATOM 662 CG ARG A 40 -3.308 8.830 2.349 1.00 0.00 C ATOM 663 CD ARG A 40 -3.972 10.187 2.604 1.00 0.00 C ATOM 664 NE ARG A 40 -4.556 10.730 1.361 1.00 0.00 N ATOM 665 CZ ARG A 40 -3.838 11.226 0.342 1.00 0.00 C ATOM 666 NH1 ARG A 40 -2.534 11.446 0.490 1.00 0.00 N ATOM 667 NH2 ARG A 40 -4.402 11.499 -0.835 1.00 0.00 N ATOM 0 H ARG A 40 -0.395 7.087 4.479 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.339 7.156 4.673 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.216 9.214 4.164 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.262 8.458 2.904 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.851 8.842 1.360 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.077 8.058 2.336 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.750 10.079 3.359 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.237 10.887 3.001 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.572 10.728 1.271 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.079 11.237 1.379 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.989 11.823 -0.285 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.398 11.331 -0.974 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.837 11.876 -1.596 1.00 0.00 H new ATOM 681 N VAL A 41 -3.917 5.623 2.806 1.00 0.00 N ATOM 682 CA VAL A 41 -4.418 5.036 1.592 1.00 0.00 C ATOM 683 C VAL A 41 -5.639 5.819 1.108 1.00 0.00 C ATOM 684 O VAL A 41 -6.425 6.326 1.909 1.00 0.00 O ATOM 685 CB VAL A 41 -4.562 3.520 1.813 1.00 0.00 C ATOM 686 CG1 VAL A 41 -5.138 3.128 3.151 1.00 0.00 C ATOM 687 CG2 VAL A 41 -5.293 2.823 0.666 1.00 0.00 C ATOM 0 H VAL A 41 -4.647 5.750 3.507 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.734 5.118 0.748 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.534 3.159 1.823 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.202 2.042 3.216 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.495 3.502 3.948 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.134 3.557 3.258 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.365 1.756 0.876 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.294 3.242 0.565 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.741 2.974 -0.262 1.00 0.00 H new ATOM 697 N GLU A 42 -5.794 5.925 -0.211 1.00 0.00 N ATOM 698 CA GLU A 42 -6.996 6.391 -0.876 1.00 0.00 C ATOM 699 C GLU A 42 -7.379 5.335 -1.894 1.00 0.00 C ATOM 700 O GLU A 42 -6.681 5.146 -2.895 1.00 0.00 O ATOM 701 CB GLU A 42 -6.776 7.730 -1.594 1.00 0.00 C ATOM 702 CG GLU A 42 -7.352 8.904 -0.810 1.00 0.00 C ATOM 703 CD GLU A 42 -7.726 10.036 -1.760 1.00 0.00 C ATOM 704 OE1 GLU A 42 -8.804 9.960 -2.397 1.00 0.00 O ATOM 705 OE2 GLU A 42 -6.947 11.011 -1.898 1.00 0.00 O ATOM 0 H GLU A 42 -5.052 5.677 -0.866 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.779 6.550 -0.135 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.708 7.887 -1.748 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.238 7.692 -2.580 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.231 8.582 -0.252 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.623 9.257 -0.081 1.00 0.00 H new ATOM 712 N LEU A 43 -8.498 4.657 -1.675 1.00 0.00 N ATOM 713 CA LEU A 43 -9.020 3.774 -2.698 1.00 0.00 C ATOM 714 C LEU A 43 -9.765 4.593 -3.743 1.00 0.00 C ATOM 715 O LEU A 43 -10.231 5.712 -3.493 1.00 0.00 O ATOM 716 CB LEU A 43 -9.901 2.678 -2.083 1.00 0.00 C ATOM 717 CG LEU A 43 -9.097 1.393 -1.805 1.00 0.00 C ATOM 718 CD1 LEU A 43 -8.432 1.457 -0.435 1.00 0.00 C ATOM 719 CD2 LEU A 43 -9.977 0.151 -1.876 1.00 0.00 C ATOM 0 H LEU A 43 -9.048 4.702 -0.817 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.193 3.264 -3.193 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.339 3.042 -1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.726 2.452 -2.758 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.333 1.323 -2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.870 0.540 -0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.754 2.310 -0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.195 1.567 0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.374 -0.734 -1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.772 0.225 -1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.416 0.072 -2.871 1.00 0.00 H new ATOM 731 N SER A 44 -9.883 4.000 -4.927 1.00 0.00 N ATOM 732 CA SER A 44 -10.670 4.535 -6.016 1.00 0.00 C ATOM 733 C SER A 44 -12.146 4.597 -5.602 1.00 0.00 C ATOM 734 O SER A 44 -12.574 3.861 -4.706 1.00 0.00 O ATOM 735 CB SER A 44 -10.471 3.632 -7.240 1.00 0.00 C ATOM 736 OG SER A 44 -10.564 4.377 -8.438 1.00 0.00 O ATOM 0 H SER A 44 -9.423 3.118 -5.153 1.00 0.00 H new ATOM 0 HA SER A 44 -10.352 5.548 -6.264 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.497 3.146 -7.184 1.00 0.00 H new ATOM 0 HB3 SER A 44 -11.222 2.842 -7.240 1.00 0.00 H new ATOM 0 HG SER A 44 -10.432 3.781 -9.205 1.00 0.00 H new ATOM 742 N LYS A 45 -12.951 5.392 -6.318 1.00 0.00 N ATOM 743 CA LYS A 45 -14.401 5.438 -6.142 1.00 0.00 C ATOM 744 C LYS A 45 -14.988 4.028 -6.155 1.00 0.00 C ATOM 745 O LYS A 45 -15.518 3.585 -5.138 1.00 0.00 O ATOM 746 CB LYS A 45 -15.073 6.353 -7.169 1.00 0.00 C ATOM 747 CG LYS A 45 -15.221 7.821 -6.730 1.00 0.00 C ATOM 748 CD LYS A 45 -14.043 8.739 -7.079 1.00 0.00 C ATOM 749 CE LYS A 45 -14.486 10.201 -6.895 1.00 0.00 C ATOM 750 NZ LYS A 45 -13.394 11.166 -7.154 1.00 0.00 N ATOM 0 H LYS A 45 -12.608 6.025 -7.041 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.607 5.874 -5.165 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.497 6.322 -8.094 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -16.062 5.955 -7.396 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -16.123 8.229 -7.186 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.370 7.845 -5.651 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.190 8.519 -6.438 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.722 8.568 -8.106 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.318 10.411 -7.567 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.854 10.340 -5.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.747 12.135 -7.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.609 10.986 -6.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.058 11.056 -8.132 1.00 0.00 H new ATOM 764 N ASP A 46 -14.829 3.277 -7.247 1.00 0.00 N ATOM 765 CA ASP A 46 -15.360 1.909 -7.362 1.00 0.00 C ATOM 766 C ASP A 46 -14.578 0.891 -6.506 1.00 0.00 C ATOM 767 O ASP A 46 -14.753 -0.315 -6.687 1.00 0.00 O ATOM 768 CB ASP A 46 -15.394 1.460 -8.840 1.00 0.00 C ATOM 769 CG ASP A 46 -16.539 2.070 -9.642 1.00 0.00 C ATOM 770 OD1 ASP A 46 -17.674 2.161 -9.130 1.00 0.00 O ATOM 771 OD2 ASP A 46 -16.311 2.459 -10.812 1.00 0.00 O ATOM 0 H ASP A 46 -14.330 3.596 -8.078 1.00 0.00 H new ATOM 0 HA ASP A 46 -16.378 1.934 -6.972 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -14.449 1.727 -9.313 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -15.474 0.374 -8.878 1.00 0.00 H new ATOM 776 N LYS A 47 -13.683 1.333 -5.612 1.00 0.00 N ATOM 777 CA LYS A 47 -12.692 0.542 -4.870 1.00 0.00 C ATOM 778 C LYS A 47 -11.842 -0.402 -5.738 1.00 0.00 C ATOM 779 O LYS A 47 -11.306 -1.400 -5.260 1.00 0.00 O ATOM 780 CB LYS A 47 -13.266 -0.046 -3.572 1.00 0.00 C ATOM 781 CG LYS A 47 -14.295 -1.166 -3.732 1.00 0.00 C ATOM 782 CD LYS A 47 -14.294 -2.006 -2.445 1.00 0.00 C ATOM 783 CE LYS A 47 -15.319 -3.138 -2.356 1.00 0.00 C ATOM 784 NZ LYS A 47 -16.600 -2.737 -1.736 1.00 0.00 N ATOM 0 H LYS A 47 -13.629 2.323 -5.371 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.932 1.244 -4.526 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -12.438 -0.425 -2.973 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.726 0.763 -3.004 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -15.286 -0.749 -3.913 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -14.049 -1.788 -4.592 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.301 -2.438 -2.323 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -14.456 -1.335 -1.602 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -15.515 -3.518 -3.359 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.890 -3.959 -1.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -17.244 -3.554 -1.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -16.427 -2.401 -0.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -17.032 -1.974 -2.295 1.00 0.00 H new ATOM 798 N ARG A 48 -11.708 -0.069 -7.027 1.00 0.00 N ATOM 799 CA ARG A 48 -10.981 -0.846 -8.032 1.00 0.00 C ATOM 800 C ARG A 48 -9.477 -0.807 -7.858 1.00 0.00 C ATOM 801 O ARG A 48 -8.804 -1.781 -8.185 1.00 0.00 O ATOM 802 CB ARG A 48 -11.329 -0.320 -9.432 1.00 0.00 C ATOM 803 CG ARG A 48 -12.735 -0.775 -9.822 1.00 0.00 C ATOM 804 CD ARG A 48 -12.736 -2.245 -10.265 1.00 0.00 C ATOM 805 NE ARG A 48 -13.939 -2.954 -9.819 1.00 0.00 N ATOM 806 CZ ARG A 48 -15.206 -2.722 -10.171 1.00 0.00 C ATOM 807 NH1 ARG A 48 -15.528 -1.789 -11.061 1.00 0.00 N ATOM 808 NH2 ARG A 48 -16.146 -3.461 -9.601 1.00 0.00 N ATOM 0 H ARG A 48 -12.119 0.782 -7.411 1.00 0.00 H new ATOM 0 HA ARG A 48 -11.292 -1.883 -7.905 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -11.272 0.768 -9.446 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.604 -0.686 -10.159 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -13.410 -0.646 -8.976 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -13.113 -0.148 -10.630 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -12.668 -2.296 -11.352 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -11.853 -2.744 -9.866 1.00 0.00 H new ATOM 0 HE ARG A 48 -13.790 -3.718 -9.159 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -14.798 -1.226 -11.496 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -16.506 -1.636 -11.309 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -15.890 -4.176 -8.920 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -17.126 -3.315 -9.843 1.00 0.00 H new ATOM 822 N TYR A 49 -8.946 0.307 -7.378 1.00 0.00 N ATOM 823 CA TYR A 49 -7.527 0.482 -7.160 1.00 0.00 C ATOM 824 C TYR A 49 -7.335 1.088 -5.788 1.00 0.00 C ATOM 825 O TYR A 49 -8.287 1.617 -5.202 1.00 0.00 O ATOM 826 CB TYR A 49 -6.926 1.359 -8.258 1.00 0.00 C ATOM 827 CG TYR A 49 -7.270 0.928 -9.657 1.00 0.00 C ATOM 828 CD1 TYR A 49 -6.842 -0.328 -10.099 1.00 0.00 C ATOM 829 CD2 TYR A 49 -8.054 1.745 -10.482 1.00 0.00 C ATOM 830 CE1 TYR A 49 -7.177 -0.780 -11.389 1.00 0.00 C ATOM 831 CE2 TYR A 49 -8.394 1.308 -11.771 1.00 0.00 C ATOM 832 CZ TYR A 49 -7.958 0.048 -12.231 1.00 0.00 C ATOM 833 OH TYR A 49 -8.344 -0.358 -13.470 1.00 0.00 O ATOM 0 H TYR A 49 -9.501 1.125 -7.127 1.00 0.00 H new ATOM 0 HA TYR A 49 -7.009 -0.476 -7.203 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.266 2.385 -8.113 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -5.841 1.364 -8.149 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -6.251 -0.954 -9.447 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -8.395 2.706 -10.127 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.842 -1.748 -11.733 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.991 1.938 -12.413 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.875 0.348 -13.895 1.00 0.00 H new ATOM 843 N ALA A 50 -6.110 0.970 -5.300 1.00 0.00 N ATOM 844 CA ALA A 50 -5.711 1.411 -3.971 1.00 0.00 C ATOM 845 C ALA A 50 -4.411 2.195 -4.062 1.00 0.00 C ATOM 846 O ALA A 50 -3.354 1.606 -4.285 1.00 0.00 O ATOM 847 CB ALA A 50 -5.590 0.208 -3.028 1.00 0.00 C ATOM 0 H ALA A 50 -5.345 0.554 -5.831 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.473 2.072 -3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.291 0.551 -2.037 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.552 -0.300 -2.961 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.841 -0.483 -3.414 1.00 0.00 H new ATOM 853 N ASP A 51 -4.487 3.516 -3.880 1.00 0.00 N ATOM 854 CA ASP A 51 -3.315 4.372 -3.770 1.00 0.00 C ATOM 855 C ASP A 51 -2.821 4.251 -2.325 1.00 0.00 C ATOM 856 O ASP A 51 -3.362 4.926 -1.451 1.00 0.00 O ATOM 857 CB ASP A 51 -3.624 5.852 -4.122 1.00 0.00 C ATOM 858 CG ASP A 51 -4.113 6.131 -5.551 1.00 0.00 C ATOM 859 OD1 ASP A 51 -3.626 5.527 -6.538 1.00 0.00 O ATOM 860 OD2 ASP A 51 -5.015 6.984 -5.718 1.00 0.00 O ATOM 0 H ASP A 51 -5.371 4.019 -3.805 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.556 4.053 -4.484 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.379 6.217 -3.426 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.722 6.439 -3.950 1.00 0.00 H new ATOM 865 N VAL A 52 -1.870 3.357 -2.037 1.00 0.00 N ATOM 866 CA VAL A 52 -1.284 3.158 -0.704 1.00 0.00 C ATOM 867 C VAL A 52 -0.002 3.999 -0.647 1.00 0.00 C ATOM 868 O VAL A 52 0.951 3.758 -1.399 1.00 0.00 O ATOM 869 CB VAL A 52 -1.021 1.656 -0.446 1.00 0.00 C ATOM 870 CG1 VAL A 52 -0.276 1.415 0.878 1.00 0.00 C ATOM 871 CG2 VAL A 52 -2.347 0.875 -0.372 1.00 0.00 C ATOM 0 H VAL A 52 -1.475 2.734 -2.742 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.964 3.480 0.084 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.408 1.311 -1.279 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.114 0.346 1.015 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.686 1.927 0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.871 1.801 1.706 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.139 -0.179 -0.190 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.957 1.270 0.440 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.885 0.981 -1.314 1.00 0.00 H new ATOM 881 N TYR A 53 0.018 5.010 0.217 1.00 0.00 N ATOM 882 CA TYR A 53 1.132 5.920 0.413 1.00 0.00 C ATOM 883 C TYR A 53 2.093 5.291 1.419 1.00 0.00 C ATOM 884 O TYR A 53 1.681 4.687 2.416 1.00 0.00 O ATOM 885 CB TYR A 53 0.618 7.276 0.921 1.00 0.00 C ATOM 886 CG TYR A 53 -0.206 8.099 -0.061 1.00 0.00 C ATOM 887 CD1 TYR A 53 -1.421 7.619 -0.600 1.00 0.00 C ATOM 888 CD2 TYR A 53 0.247 9.379 -0.432 1.00 0.00 C ATOM 889 CE1 TYR A 53 -2.147 8.384 -1.530 1.00 0.00 C ATOM 890 CE2 TYR A 53 -0.448 10.129 -1.391 1.00 0.00 C ATOM 891 CZ TYR A 53 -1.649 9.638 -1.942 1.00 0.00 C ATOM 892 OH TYR A 53 -2.347 10.418 -2.806 1.00 0.00 O ATOM 0 H TYR A 53 -0.775 5.222 0.822 1.00 0.00 H new ATOM 0 HA TYR A 53 1.653 6.092 -0.529 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.014 7.101 1.811 1.00 0.00 H new ATOM 0 HB3 TYR A 53 1.476 7.872 1.231 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.796 6.654 -0.294 1.00 0.00 H new ATOM 0 HD2 TYR A 53 1.137 9.786 0.025 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.081 8.014 -1.927 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.062 11.086 -1.709 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.850 11.245 -2.975 1.00 0.00 H new ATOM 902 N VAL A 54 3.388 5.444 1.156 1.00 0.00 N ATOM 903 CA VAL A 54 4.449 4.775 1.882 1.00 0.00 C ATOM 904 C VAL A 54 5.434 5.841 2.338 1.00 0.00 C ATOM 905 O VAL A 54 6.135 6.426 1.509 1.00 0.00 O ATOM 906 CB VAL A 54 5.114 3.714 0.987 1.00 0.00 C ATOM 907 CG1 VAL A 54 6.080 2.894 1.845 1.00 0.00 C ATOM 908 CG2 VAL A 54 4.092 2.823 0.253 1.00 0.00 C ATOM 0 H VAL A 54 3.731 6.053 0.413 1.00 0.00 H new ATOM 0 HA VAL A 54 4.062 4.248 2.754 1.00 0.00 H new ATOM 0 HB VAL A 54 5.666 4.219 0.194 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.561 2.136 1.227 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.839 3.552 2.269 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.529 2.409 2.651 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.620 2.095 -0.362 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.474 2.301 0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.459 3.443 -0.382 1.00 0.00 H new ATOM 918 N SER A 55 5.456 6.121 3.639 1.00 0.00 N ATOM 919 CA SER A 55 6.507 6.927 4.229 1.00 0.00 C ATOM 920 C SER A 55 7.740 6.034 4.415 1.00 0.00 C ATOM 921 O SER A 55 7.610 4.829 4.656 1.00 0.00 O ATOM 922 CB SER A 55 5.987 7.516 5.546 1.00 0.00 C ATOM 923 OG SER A 55 6.914 8.419 6.112 1.00 0.00 O ATOM 0 H SER A 55 4.752 5.797 4.302 1.00 0.00 H new ATOM 0 HA SER A 55 6.796 7.764 3.593 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.041 8.028 5.368 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.786 6.710 6.252 1.00 0.00 H new ATOM 0 HG SER A 55 6.552 8.778 6.949 1.00 0.00 H new ATOM 929 N PHE A 56 8.934 6.621 4.309 1.00 0.00 N ATOM 930 CA PHE A 56 10.211 5.939 4.479 1.00 0.00 C ATOM 931 C PHE A 56 11.143 6.866 5.261 1.00 0.00 C ATOM 932 O PHE A 56 11.294 8.040 4.916 1.00 0.00 O ATOM 933 CB PHE A 56 10.823 5.612 3.108 1.00 0.00 C ATOM 934 CG PHE A 56 12.102 4.794 3.169 1.00 0.00 C ATOM 935 CD1 PHE A 56 12.087 3.553 3.826 1.00 0.00 C ATOM 936 CD2 PHE A 56 13.295 5.226 2.550 1.00 0.00 C ATOM 937 CE1 PHE A 56 13.239 2.758 3.892 1.00 0.00 C ATOM 938 CE2 PHE A 56 14.461 4.444 2.648 1.00 0.00 C ATOM 939 CZ PHE A 56 14.436 3.205 3.318 1.00 0.00 C ATOM 0 H PHE A 56 9.038 7.613 4.096 1.00 0.00 H new ATOM 0 HA PHE A 56 10.068 5.003 5.020 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.087 5.069 2.516 1.00 0.00 H new ATOM 0 HB3 PHE A 56 11.028 6.545 2.584 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.174 3.206 4.287 1.00 0.00 H new ATOM 0 HD2 PHE A 56 13.313 6.156 2.001 1.00 0.00 H new ATOM 0 HE1 PHE A 56 13.204 1.799 4.387 1.00 0.00 H new ATOM 0 HE2 PHE A 56 15.382 4.796 2.206 1.00 0.00 H new ATOM 0 HZ PHE A 56 15.331 2.605 3.388 1.00 0.00 H new ATOM 949 N LEU A 57 11.780 6.332 6.296 1.00 0.00 N ATOM 950 CA LEU A 57 12.889 6.890 7.052 1.00 0.00 C ATOM 951 C LEU A 57 14.144 6.781 6.173 1.00 0.00 C ATOM 952 O LEU A 57 15.007 5.910 6.347 1.00 0.00 O ATOM 953 CB LEU A 57 12.976 6.141 8.403 1.00 0.00 C ATOM 954 CG LEU A 57 12.385 6.931 9.581 1.00 0.00 C ATOM 955 CD1 LEU A 57 12.141 5.996 10.768 1.00 0.00 C ATOM 956 CD2 LEU A 57 13.304 8.067 10.032 1.00 0.00 C ATOM 0 H LEU A 57 11.508 5.418 6.657 1.00 0.00 H new ATOM 0 HA LEU A 57 12.765 7.945 7.298 1.00 0.00 H new ATOM 0 HB2 LEU A 57 12.453 5.189 8.316 1.00 0.00 H new ATOM 0 HB3 LEU A 57 14.020 5.913 8.616 1.00 0.00 H new ATOM 0 HG LEU A 57 11.447 7.365 9.236 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.722 6.564 11.599 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.443 5.212 10.476 1.00 0.00 H new ATOM 0 HD13 LEU A 57 13.084 5.545 11.076 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.845 8.597 10.866 1.00 0.00 H new ATOM 0 HD22 LEU A 57 14.263 7.656 10.347 1.00 0.00 H new ATOM 0 HD23 LEU A 57 13.460 8.759 9.204 1.00 0.00 H new ATOM 968 N GLY A 58 14.201 7.652 5.169 1.00 0.00 N ATOM 969 CA GLY A 58 15.230 7.745 4.151 1.00 0.00 C ATOM 970 C GLY A 58 15.071 9.058 3.390 1.00 0.00 C ATOM 971 O GLY A 58 14.166 9.853 3.669 1.00 0.00 O ATOM 0 H GLY A 58 13.476 8.358 5.041 1.00 0.00 H new ATOM 0 HA2 GLY A 58 16.217 7.695 4.610 1.00 0.00 H new ATOM 0 HA3 GLY A 58 15.155 6.902 3.464 1.00 0.00 H new ATOM 975 N THR A 59 15.914 9.270 2.389 1.00 0.00 N ATOM 976 CA THR A 59 15.888 10.437 1.512 1.00 0.00 C ATOM 977 C THR A 59 14.753 10.299 0.479 1.00 0.00 C ATOM 978 O THR A 59 14.310 9.173 0.210 1.00 0.00 O ATOM 979 CB THR A 59 17.279 10.567 0.842 1.00 0.00 C ATOM 980 OG1 THR A 59 17.794 9.289 0.478 1.00 0.00 O ATOM 981 CG2 THR A 59 18.266 11.219 1.815 1.00 0.00 C ATOM 0 H THR A 59 16.660 8.614 2.156 1.00 0.00 H new ATOM 0 HA THR A 59 15.686 11.346 2.079 1.00 0.00 H new ATOM 0 HB THR A 59 17.160 11.178 -0.053 1.00 0.00 H new ATOM 0 HG1 THR A 59 18.371 8.952 1.195 1.00 0.00 H new ATOM 0 HG21 THR A 59 19.242 11.308 1.338 1.00 0.00 H new ATOM 0 HG22 THR A 59 17.905 12.210 2.090 1.00 0.00 H new ATOM 0 HG23 THR A 59 18.354 10.604 2.711 1.00 0.00 H new ATOM 989 N PRO A 60 14.325 11.395 -0.176 1.00 0.00 N ATOM 990 CA PRO A 60 13.404 11.378 -1.319 1.00 0.00 C ATOM 991 C PRO A 60 14.067 10.813 -2.588 1.00 0.00 C ATOM 992 O PRO A 60 13.521 10.914 -3.685 1.00 0.00 O ATOM 993 CB PRO A 60 12.975 12.838 -1.507 1.00 0.00 C ATOM 994 CG PRO A 60 14.203 13.615 -1.043 1.00 0.00 C ATOM 995 CD PRO A 60 14.724 12.767 0.113 1.00 0.00 C ATOM 0 HA PRO A 60 12.551 10.724 -1.134 1.00 0.00 H new ATOM 0 HB2 PRO A 60 12.727 13.056 -2.546 1.00 0.00 H new ATOM 0 HB3 PRO A 60 12.095 13.080 -0.912 1.00 0.00 H new ATOM 0 HG2 PRO A 60 14.943 13.714 -1.837 1.00 0.00 H new ATOM 0 HG3 PRO A 60 13.945 14.624 -0.720 1.00 0.00 H new ATOM 0 HD2 PRO A 60 15.808 12.848 0.197 1.00 0.00 H new ATOM 0 HD3 PRO A 60 14.305 13.103 1.062 1.00 0.00 H new ATOM 1003 N GLU A 61 15.296 10.322 -2.467 1.00 0.00 N ATOM 1004 CA GLU A 61 16.114 9.730 -3.507 1.00 0.00 C ATOM 1005 C GLU A 61 15.958 8.218 -3.364 1.00 0.00 C ATOM 1006 O GLU A 61 15.381 7.589 -4.245 1.00 0.00 O ATOM 1007 CB GLU A 61 17.552 10.230 -3.310 1.00 0.00 C ATOM 1008 CG GLU A 61 17.661 11.733 -3.616 1.00 0.00 C ATOM 1009 CD GLU A 61 18.947 12.379 -3.099 1.00 0.00 C ATOM 1010 OE1 GLU A 61 19.330 12.148 -1.929 1.00 0.00 O ATOM 1011 OE2 GLU A 61 19.501 13.245 -3.814 1.00 0.00 O ATOM 0 H GLU A 61 15.778 10.331 -1.568 1.00 0.00 H new ATOM 0 HA GLU A 61 15.823 10.006 -4.520 1.00 0.00 H new ATOM 0 HB2 GLU A 61 17.869 10.040 -2.285 1.00 0.00 H new ATOM 0 HB3 GLU A 61 18.226 9.673 -3.960 1.00 0.00 H new ATOM 0 HG2 GLU A 61 17.601 11.880 -4.694 1.00 0.00 H new ATOM 0 HG3 GLU A 61 16.806 12.246 -3.176 1.00 0.00 H new ATOM 1018 N GLU A 62 16.331 7.661 -2.199 1.00 0.00 N ATOM 1019 CA GLU A 62 16.157 6.242 -1.895 1.00 0.00 C ATOM 1020 C GLU A 62 14.716 5.817 -2.156 1.00 0.00 C ATOM 1021 O GLU A 62 14.478 4.864 -2.890 1.00 0.00 O ATOM 1022 CB GLU A 62 16.513 5.945 -0.426 1.00 0.00 C ATOM 1023 CG GLU A 62 18.000 5.656 -0.214 1.00 0.00 C ATOM 1024 CD GLU A 62 18.295 5.178 1.208 1.00 0.00 C ATOM 1025 OE1 GLU A 62 17.766 4.122 1.625 1.00 0.00 O ATOM 1026 OE2 GLU A 62 19.122 5.801 1.916 1.00 0.00 O ATOM 0 H GLU A 62 16.763 8.191 -1.442 1.00 0.00 H new ATOM 0 HA GLU A 62 16.828 5.679 -2.543 1.00 0.00 H new ATOM 0 HB2 GLU A 62 16.223 6.796 0.191 1.00 0.00 H new ATOM 0 HB3 GLU A 62 15.931 5.090 -0.083 1.00 0.00 H new ATOM 0 HG2 GLU A 62 18.327 4.898 -0.926 1.00 0.00 H new ATOM 0 HG3 GLU A 62 18.577 6.557 -0.420 1.00 0.00 H new ATOM 1033 N ARG A 63 13.747 6.532 -1.573 1.00 0.00 N ATOM 1034 CA ARG A 63 12.326 6.190 -1.646 1.00 0.00 C ATOM 1035 C ARG A 63 11.826 6.042 -3.089 1.00 0.00 C ATOM 1036 O ARG A 63 10.804 5.385 -3.304 1.00 0.00 O ATOM 1037 CB ARG A 63 11.555 7.245 -0.832 1.00 0.00 C ATOM 1038 CG ARG A 63 10.021 7.264 -0.902 1.00 0.00 C ATOM 1039 CD ARG A 63 9.240 6.411 0.099 1.00 0.00 C ATOM 1040 NE ARG A 63 9.376 4.949 -0.038 1.00 0.00 N ATOM 1041 CZ ARG A 63 8.670 4.229 -0.913 1.00 0.00 C ATOM 1042 NH1 ARG A 63 8.381 4.702 -2.113 1.00 0.00 N ATOM 1043 NH2 ARG A 63 8.223 3.030 -0.580 1.00 0.00 N ATOM 0 H ARG A 63 13.933 7.376 -1.030 1.00 0.00 H new ATOM 0 HA ARG A 63 12.153 5.205 -1.213 1.00 0.00 H new ATOM 0 HB2 ARG A 63 11.835 7.123 0.214 1.00 0.00 H new ATOM 0 HB3 ARG A 63 11.911 8.227 -1.145 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.695 8.297 -0.784 1.00 0.00 H new ATOM 0 HG3 ARG A 63 9.730 6.951 -1.905 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.555 6.691 1.104 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.184 6.665 0.013 1.00 0.00 H new ATOM 0 HE ARG A 63 10.041 4.465 0.565 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.699 5.632 -2.385 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.840 4.136 -2.767 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.417 2.653 0.348 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.684 2.482 -1.251 1.00 0.00 H new ATOM 1057 N LYS A 64 12.495 6.622 -4.088 1.00 0.00 N ATOM 1058 CA LYS A 64 12.061 6.471 -5.471 1.00 0.00 C ATOM 1059 C LYS A 64 12.557 5.187 -6.108 1.00 0.00 C ATOM 1060 O LYS A 64 11.913 4.661 -7.007 1.00 0.00 O ATOM 1061 CB LYS A 64 12.569 7.645 -6.304 1.00 0.00 C ATOM 1062 CG LYS A 64 11.883 8.989 -6.026 1.00 0.00 C ATOM 1063 CD LYS A 64 12.640 10.099 -6.769 1.00 0.00 C ATOM 1064 CE LYS A 64 12.088 11.496 -6.470 1.00 0.00 C ATOM 1065 NZ LYS A 64 10.869 11.831 -7.228 1.00 0.00 N ATOM 0 H LYS A 64 13.330 7.194 -3.964 1.00 0.00 H new ATOM 0 HA LYS A 64 10.972 6.441 -5.452 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.639 7.758 -6.128 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.443 7.402 -7.359 1.00 0.00 H new ATOM 0 HG2 LYS A 64 10.844 8.957 -6.355 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.872 9.192 -4.955 1.00 0.00 H new ATOM 0 HD2 LYS A 64 13.693 10.063 -6.492 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.586 9.914 -7.842 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.873 11.571 -5.404 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.857 12.235 -6.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.555 12.789 -6.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.072 11.792 -8.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.119 11.148 -6.998 1.00 0.00 H new ATOM 1079 N GLU A 65 13.699 4.676 -5.675 1.00 0.00 N ATOM 1080 CA GLU A 65 14.119 3.327 -6.034 1.00 0.00 C ATOM 1081 C GLU A 65 13.187 2.290 -5.389 1.00 0.00 C ATOM 1082 O GLU A 65 13.030 1.196 -5.925 1.00 0.00 O ATOM 1083 CB GLU A 65 15.598 3.167 -5.638 1.00 0.00 C ATOM 1084 CG GLU A 65 16.245 1.885 -6.174 1.00 0.00 C ATOM 1085 CD GLU A 65 17.773 1.886 -6.029 1.00 0.00 C ATOM 1086 OE1 GLU A 65 18.466 2.866 -6.394 1.00 0.00 O ATOM 1087 OE2 GLU A 65 18.328 0.859 -5.567 1.00 0.00 O ATOM 0 H GLU A 65 14.354 5.175 -5.073 1.00 0.00 H new ATOM 0 HA GLU A 65 14.042 3.157 -7.108 1.00 0.00 H new ATOM 0 HB2 GLU A 65 16.158 4.027 -6.005 1.00 0.00 H new ATOM 0 HB3 GLU A 65 15.677 3.176 -4.551 1.00 0.00 H new ATOM 0 HG2 GLU A 65 15.835 1.026 -5.643 1.00 0.00 H new ATOM 0 HG3 GLU A 65 15.984 1.764 -7.225 1.00 0.00 H new ATOM 1094 N THR A 66 12.514 2.609 -4.277 1.00 0.00 N ATOM 1095 CA THR A 66 11.883 1.573 -3.464 1.00 0.00 C ATOM 1096 C THR A 66 10.407 1.339 -3.823 1.00 0.00 C ATOM 1097 O THR A 66 9.903 0.230 -3.609 1.00 0.00 O ATOM 1098 CB THR A 66 12.117 1.854 -1.973 1.00 0.00 C ATOM 1099 OG1 THR A 66 11.278 2.879 -1.513 1.00 0.00 O ATOM 1100 CG2 THR A 66 13.556 2.274 -1.627 1.00 0.00 C ATOM 0 H THR A 66 12.396 3.560 -3.927 1.00 0.00 H new ATOM 0 HA THR A 66 12.365 0.623 -3.696 1.00 0.00 H new ATOM 0 HB THR A 66 11.903 0.902 -1.488 1.00 0.00 H new ATOM 0 HG1 THR A 66 11.182 3.561 -2.210 1.00 0.00 H new ATOM 0 HG21 THR A 66 13.635 2.453 -0.555 1.00 0.00 H new ATOM 0 HG22 THR A 66 14.246 1.480 -1.914 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.808 3.187 -2.167 1.00 0.00 H new ATOM 1108 N VAL A 67 9.724 2.318 -4.436 1.00 0.00 N ATOM 1109 CA VAL A 67 8.372 2.145 -4.986 1.00 0.00 C ATOM 1110 C VAL A 67 8.361 1.008 -6.017 1.00 0.00 C ATOM 1111 O VAL A 67 7.378 0.271 -6.114 1.00 0.00 O ATOM 1112 CB VAL A 67 7.866 3.495 -5.561 1.00 0.00 C ATOM 1113 CG1 VAL A 67 8.598 3.942 -6.830 1.00 0.00 C ATOM 1114 CG2 VAL A 67 6.361 3.474 -5.867 1.00 0.00 C ATOM 0 H VAL A 67 10.098 3.258 -4.565 1.00 0.00 H new ATOM 0 HA VAL A 67 7.679 1.854 -4.197 1.00 0.00 H new ATOM 0 HB VAL A 67 8.079 4.210 -4.766 1.00 0.00 H new ATOM 0 HG11 VAL A 67 8.188 4.893 -7.171 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.660 4.061 -6.615 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.468 3.191 -7.609 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.057 4.442 -6.267 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.150 2.696 -6.600 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.806 3.270 -4.951 1.00 0.00 H new ATOM 1124 N GLU A 68 9.478 0.822 -6.724 1.00 0.00 N ATOM 1125 CA GLU A 68 9.687 -0.226 -7.703 1.00 0.00 C ATOM 1126 C GLU A 68 9.764 -1.586 -7.007 1.00 0.00 C ATOM 1127 O GLU A 68 9.060 -2.515 -7.397 1.00 0.00 O ATOM 1128 CB GLU A 68 10.964 0.089 -8.504 1.00 0.00 C ATOM 1129 CG GLU A 68 10.831 1.379 -9.330 1.00 0.00 C ATOM 1130 CD GLU A 68 9.702 1.247 -10.349 1.00 0.00 C ATOM 1131 OE1 GLU A 68 9.844 0.407 -11.264 1.00 0.00 O ATOM 1132 OE2 GLU A 68 8.644 1.894 -10.193 1.00 0.00 O ATOM 0 H GLU A 68 10.291 1.428 -6.619 1.00 0.00 H new ATOM 0 HA GLU A 68 8.849 -0.270 -8.399 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.806 0.184 -7.818 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.188 -0.745 -9.170 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.635 2.223 -8.668 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.770 1.588 -9.843 1.00 0.00 H new ATOM 1139 N ILE A 69 10.565 -1.698 -5.942 1.00 0.00 N ATOM 1140 CA ILE A 69 10.718 -2.932 -5.169 1.00 0.00 C ATOM 1141 C ILE A 69 9.350 -3.333 -4.582 1.00 0.00 C ATOM 1142 O ILE A 69 9.013 -4.519 -4.553 1.00 0.00 O ATOM 1143 CB ILE A 69 11.806 -2.788 -4.067 1.00 0.00 C ATOM 1144 CG1 ILE A 69 13.085 -2.046 -4.524 1.00 0.00 C ATOM 1145 CG2 ILE A 69 12.226 -4.165 -3.512 1.00 0.00 C ATOM 1146 CD1 ILE A 69 14.023 -1.673 -3.367 1.00 0.00 C ATOM 0 H ILE A 69 11.131 -0.926 -5.590 1.00 0.00 H new ATOM 0 HA ILE A 69 11.062 -3.727 -5.830 1.00 0.00 H new ATOM 0 HB ILE A 69 11.328 -2.183 -3.296 1.00 0.00 H new ATOM 0 HG12 ILE A 69 13.626 -2.674 -5.232 1.00 0.00 H new ATOM 0 HG13 ILE A 69 12.799 -1.139 -5.056 1.00 0.00 H new ATOM 0 HG21 ILE A 69 12.988 -4.031 -2.744 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.358 -4.663 -3.080 1.00 0.00 H new ATOM 0 HG23 ILE A 69 12.629 -4.775 -4.320 1.00 0.00 H new ATOM 0 HD11 ILE A 69 14.898 -1.156 -3.760 1.00 0.00 H new ATOM 0 HD12 ILE A 69 13.499 -1.020 -2.670 1.00 0.00 H new ATOM 0 HD13 ILE A 69 14.339 -2.578 -2.848 1.00 0.00 H new ATOM 1158 N LEU A 70 8.532 -2.368 -4.131 1.00 0.00 N ATOM 1159 CA LEU A 70 7.167 -2.657 -3.689 1.00 0.00 C ATOM 1160 C LEU A 70 6.317 -3.132 -4.857 1.00 0.00 C ATOM 1161 O LEU A 70 5.574 -4.101 -4.718 1.00 0.00 O ATOM 1162 CB LEU A 70 6.476 -1.438 -3.054 1.00 0.00 C ATOM 1163 CG LEU A 70 6.885 -1.106 -1.619 1.00 0.00 C ATOM 1164 CD1 LEU A 70 5.958 -0.062 -1.018 1.00 0.00 C ATOM 1165 CD2 LEU A 70 6.890 -2.313 -0.661 1.00 0.00 C ATOM 0 H LEU A 70 8.796 -1.385 -4.065 1.00 0.00 H new ATOM 0 HA LEU A 70 7.254 -3.437 -2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.675 -0.567 -3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.399 -1.605 -3.074 1.00 0.00 H new ATOM 0 HG LEU A 70 7.907 -0.739 -1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.270 0.157 0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.002 0.850 -1.614 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.937 -0.443 -1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.192 -1.986 0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.890 -2.744 -0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.592 -3.063 -1.025 1.00 0.00 H new ATOM 1177 N ASN A 71 6.402 -2.455 -6.004 1.00 0.00 N ATOM 1178 CA ASN A 71 5.583 -2.799 -7.156 1.00 0.00 C ATOM 1179 C ASN A 71 5.871 -4.199 -7.667 1.00 0.00 C ATOM 1180 O ASN A 71 4.956 -4.849 -8.155 1.00 0.00 O ATOM 1181 CB ASN A 71 5.714 -1.782 -8.290 1.00 0.00 C ATOM 1182 CG ASN A 71 4.471 -0.916 -8.307 1.00 0.00 C ATOM 1183 OD1 ASN A 71 3.452 -1.308 -8.880 1.00 0.00 O ATOM 1184 ND2 ASN A 71 4.515 0.188 -7.582 1.00 0.00 N ATOM 0 H ASN A 71 7.031 -1.666 -6.155 1.00 0.00 H new ATOM 0 HA ASN A 71 4.552 -2.774 -6.804 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.602 -1.167 -8.146 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.832 -2.293 -9.245 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.678 0.762 -7.475 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.385 0.466 -7.129 1.00 0.00 H new ATOM 1191 N ARG A 72 7.106 -4.673 -7.547 1.00 0.00 N ATOM 1192 CA ARG A 72 7.495 -6.043 -7.865 1.00 0.00 C ATOM 1193 C ARG A 72 6.896 -6.983 -6.816 1.00 0.00 C ATOM 1194 O ARG A 72 6.218 -7.942 -7.182 1.00 0.00 O ATOM 1195 CB ARG A 72 9.032 -6.135 -7.954 1.00 0.00 C ATOM 1196 CG ARG A 72 9.608 -5.283 -9.105 1.00 0.00 C ATOM 1197 CD ARG A 72 9.552 -5.972 -10.474 1.00 0.00 C ATOM 1198 NE ARG A 72 10.772 -6.750 -10.744 1.00 0.00 N ATOM 1199 CZ ARG A 72 11.068 -7.344 -11.905 1.00 0.00 C ATOM 1200 NH1 ARG A 72 10.175 -7.428 -12.881 1.00 0.00 N ATOM 1201 NH2 ARG A 72 12.272 -7.858 -12.096 1.00 0.00 N ATOM 0 H ARG A 72 7.884 -4.101 -7.218 1.00 0.00 H new ATOM 0 HA ARG A 72 7.106 -6.348 -8.837 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.468 -5.807 -7.010 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.323 -7.176 -8.095 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.058 -4.343 -9.159 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.644 -5.034 -8.876 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.684 -6.631 -10.514 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.419 -5.222 -11.253 1.00 0.00 H new ATOM 0 HE ARG A 72 11.446 -6.844 -9.984 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.242 -7.035 -12.754 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.421 -7.885 -13.759 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.974 -7.801 -11.358 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.498 -8.311 -12.981 1.00 0.00 H new ATOM 1215 N ALA A 73 7.052 -6.667 -5.527 1.00 0.00 N ATOM 1216 CA ALA A 73 6.511 -7.441 -4.409 1.00 0.00 C ATOM 1217 C ALA A 73 4.970 -7.426 -4.298 1.00 0.00 C ATOM 1218 O ALA A 73 4.426 -8.067 -3.395 1.00 0.00 O ATOM 1219 CB ALA A 73 7.145 -6.937 -3.105 1.00 0.00 C ATOM 0 H ALA A 73 7.572 -5.843 -5.226 1.00 0.00 H new ATOM 0 HA ALA A 73 6.769 -8.483 -4.598 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.749 -7.507 -2.264 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.226 -7.065 -3.153 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.910 -5.881 -2.971 1.00 0.00 H new ATOM 1225 N LYS A 74 4.246 -6.712 -5.171 1.00 0.00 N ATOM 1226 CA LYS A 74 2.794 -6.542 -5.128 1.00 0.00 C ATOM 1227 C LYS A 74 2.032 -7.847 -4.888 1.00 0.00 C ATOM 1228 O LYS A 74 1.074 -7.833 -4.118 1.00 0.00 O ATOM 1229 CB LYS A 74 2.315 -5.915 -6.456 1.00 0.00 C ATOM 1230 CG LYS A 74 1.925 -4.441 -6.379 1.00 0.00 C ATOM 1231 CD LYS A 74 0.994 -3.985 -7.518 1.00 0.00 C ATOM 1232 CE LYS A 74 1.320 -4.474 -8.938 1.00 0.00 C ATOM 1233 NZ LYS A 74 2.627 -4.017 -9.457 1.00 0.00 N ATOM 0 H LYS A 74 4.675 -6.220 -5.955 1.00 0.00 H new ATOM 0 HA LYS A 74 2.580 -5.890 -4.281 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.106 -6.026 -7.197 1.00 0.00 H new ATOM 0 HB3 LYS A 74 1.457 -6.482 -6.818 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.434 -4.254 -5.424 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.830 -3.834 -6.397 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.018 -4.308 -7.275 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.987 -2.895 -7.531 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.300 -5.564 -8.947 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.536 -4.135 -9.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.670 -4.182 -10.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.741 -3.001 -9.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.391 -4.546 -8.989 1.00 0.00 H new ATOM 1247 N GLY A 75 2.412 -8.950 -5.542 1.00 0.00 N ATOM 1248 CA GLY A 75 1.671 -10.205 -5.445 1.00 0.00 C ATOM 1249 C GLY A 75 1.616 -10.726 -4.008 1.00 0.00 C ATOM 1250 O GLY A 75 0.535 -11.057 -3.516 1.00 0.00 O ATOM 0 H GLY A 75 3.233 -8.995 -6.146 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.657 -10.057 -5.817 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.139 -10.953 -6.085 1.00 0.00 H new ATOM 1254 N PHE A 76 2.766 -10.761 -3.322 1.00 0.00 N ATOM 1255 CA PHE A 76 2.880 -11.118 -1.907 1.00 0.00 C ATOM 1256 C PHE A 76 1.941 -10.235 -1.089 1.00 0.00 C ATOM 1257 O PHE A 76 1.066 -10.732 -0.378 1.00 0.00 O ATOM 1258 CB PHE A 76 4.349 -10.956 -1.463 1.00 0.00 C ATOM 1259 CG PHE A 76 4.607 -10.989 0.033 1.00 0.00 C ATOM 1260 CD1 PHE A 76 4.774 -12.217 0.703 1.00 0.00 C ATOM 1261 CD2 PHE A 76 4.730 -9.784 0.754 1.00 0.00 C ATOM 1262 CE1 PHE A 76 5.062 -12.235 2.080 1.00 0.00 C ATOM 1263 CE2 PHE A 76 4.995 -9.808 2.131 1.00 0.00 C ATOM 1264 CZ PHE A 76 5.169 -11.032 2.796 1.00 0.00 C ATOM 0 H PHE A 76 3.664 -10.536 -3.749 1.00 0.00 H new ATOM 0 HA PHE A 76 2.590 -12.156 -1.747 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.937 -11.747 -1.929 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.722 -10.009 -1.854 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.681 -13.145 0.159 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.620 -8.838 0.244 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.201 -13.178 2.588 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.065 -8.882 2.682 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.384 -11.048 3.854 1.00 0.00 H new ATOM 1274 N PHE A 77 2.115 -8.920 -1.236 1.00 0.00 N ATOM 1275 CA PHE A 77 1.369 -7.908 -0.512 1.00 0.00 C ATOM 1276 C PHE A 77 -0.137 -8.124 -0.637 1.00 0.00 C ATOM 1277 O PHE A 77 -0.838 -8.252 0.368 1.00 0.00 O ATOM 1278 CB PHE A 77 1.817 -6.515 -0.997 1.00 0.00 C ATOM 1279 CG PHE A 77 2.953 -5.965 -0.171 1.00 0.00 C ATOM 1280 CD1 PHE A 77 2.761 -5.784 1.212 1.00 0.00 C ATOM 1281 CD2 PHE A 77 4.204 -5.691 -0.754 1.00 0.00 C ATOM 1282 CE1 PHE A 77 3.831 -5.407 2.030 1.00 0.00 C ATOM 1283 CE2 PHE A 77 5.283 -5.338 0.074 1.00 0.00 C ATOM 1284 CZ PHE A 77 5.098 -5.212 1.465 1.00 0.00 C ATOM 0 H PHE A 77 2.800 -8.527 -1.882 1.00 0.00 H new ATOM 0 HA PHE A 77 1.585 -7.985 0.554 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.125 -6.577 -2.041 1.00 0.00 H new ATOM 0 HB3 PHE A 77 0.972 -5.828 -0.954 1.00 0.00 H new ATOM 0 HD1 PHE A 77 1.783 -5.937 1.643 1.00 0.00 H new ATOM 0 HD2 PHE A 77 4.333 -5.751 -1.825 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.681 -5.267 3.090 1.00 0.00 H new ATOM 0 HE2 PHE A 77 6.257 -5.163 -0.357 1.00 0.00 H new ATOM 0 HZ PHE A 77 5.937 -4.964 2.099 1.00 0.00 H new ATOM 1294 N ARG A 78 -0.645 -8.181 -1.863 1.00 0.00 N ATOM 1295 CA ARG A 78 -2.075 -8.225 -2.129 1.00 0.00 C ATOM 1296 C ARG A 78 -2.692 -9.522 -1.668 1.00 0.00 C ATOM 1297 O ARG A 78 -3.800 -9.507 -1.140 1.00 0.00 O ATOM 1298 CB ARG A 78 -2.262 -8.116 -3.636 1.00 0.00 C ATOM 1299 CG ARG A 78 -3.710 -7.767 -4.011 1.00 0.00 C ATOM 1300 CD ARG A 78 -3.762 -7.217 -5.433 1.00 0.00 C ATOM 1301 NE ARG A 78 -3.116 -8.099 -6.418 1.00 0.00 N ATOM 1302 CZ ARG A 78 -2.545 -7.628 -7.529 1.00 0.00 C ATOM 1303 NH1 ARG A 78 -2.826 -6.387 -7.921 1.00 0.00 N ATOM 1304 NH2 ARG A 78 -1.688 -8.371 -8.210 1.00 0.00 N ATOM 0 H ARG A 78 -0.070 -8.198 -2.705 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.559 -7.411 -1.590 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.591 -7.353 -4.031 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.983 -9.059 -4.105 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.339 -8.654 -3.932 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.108 -7.031 -3.313 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.803 -7.064 -5.719 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.278 -6.241 -5.456 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.104 -9.104 -6.246 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.468 -5.813 -7.375 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.399 -6.010 -8.767 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.459 -9.311 -7.887 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.256 -8.004 -9.058 1.00 0.00 H new ATOM 1318 N THR A 79 -1.986 -10.626 -1.884 1.00 0.00 N ATOM 1319 CA THR A 79 -2.462 -11.942 -1.462 1.00 0.00 C ATOM 1320 C THR A 79 -2.830 -11.924 0.019 1.00 0.00 C ATOM 1321 O THR A 79 -3.874 -12.452 0.398 1.00 0.00 O ATOM 1322 CB THR A 79 -1.453 -13.060 -1.765 1.00 0.00 C ATOM 1323 OG1 THR A 79 -1.131 -13.107 -3.144 1.00 0.00 O ATOM 1324 CG2 THR A 79 -2.048 -14.418 -1.364 1.00 0.00 C ATOM 0 H THR A 79 -1.079 -10.638 -2.350 1.00 0.00 H new ATOM 0 HA THR A 79 -3.355 -12.164 -2.046 1.00 0.00 H new ATOM 0 HB THR A 79 -0.548 -12.850 -1.195 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.359 -12.530 -3.319 1.00 0.00 H new ATOM 0 HG21 THR A 79 -1.329 -15.208 -1.581 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.274 -14.415 -0.298 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.963 -14.595 -1.929 1.00 0.00 H new ATOM 1332 N PHE A 80 -2.010 -11.272 0.841 1.00 0.00 N ATOM 1333 CA PHE A 80 -2.260 -11.140 2.268 1.00 0.00 C ATOM 1334 C PHE A 80 -3.645 -10.528 2.526 1.00 0.00 C ATOM 1335 O PHE A 80 -4.401 -11.004 3.373 1.00 0.00 O ATOM 1336 CB PHE A 80 -1.140 -10.304 2.901 1.00 0.00 C ATOM 1337 CG PHE A 80 -1.166 -10.369 4.407 1.00 0.00 C ATOM 1338 CD1 PHE A 80 -0.539 -11.439 5.063 1.00 0.00 C ATOM 1339 CD2 PHE A 80 -1.863 -9.400 5.146 1.00 0.00 C ATOM 1340 CE1 PHE A 80 -0.649 -11.568 6.454 1.00 0.00 C ATOM 1341 CE2 PHE A 80 -1.986 -9.536 6.540 1.00 0.00 C ATOM 1342 CZ PHE A 80 -1.393 -10.633 7.191 1.00 0.00 C ATOM 0 H PHE A 80 -1.150 -10.819 0.531 1.00 0.00 H new ATOM 0 HA PHE A 80 -2.260 -12.127 2.731 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.175 -10.659 2.540 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -1.238 -9.266 2.582 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.028 -12.163 4.496 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.304 -8.551 4.644 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.161 -12.388 6.960 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -2.534 -8.800 7.109 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.510 -10.756 8.258 1.00 0.00 H new ATOM 1352 N ILE A 81 -4.004 -9.491 1.767 1.00 0.00 N ATOM 1353 CA ILE A 81 -5.302 -8.838 1.888 1.00 0.00 C ATOM 1354 C ILE A 81 -6.393 -9.770 1.353 1.00 0.00 C ATOM 1355 O ILE A 81 -7.408 -9.969 2.016 1.00 0.00 O ATOM 1356 CB ILE A 81 -5.355 -7.466 1.169 1.00 0.00 C ATOM 1357 CG1 ILE A 81 -3.989 -6.747 1.112 1.00 0.00 C ATOM 1358 CG2 ILE A 81 -6.392 -6.606 1.916 1.00 0.00 C ATOM 1359 CD1 ILE A 81 -4.010 -5.348 0.497 1.00 0.00 C ATOM 0 H ILE A 81 -3.401 -9.083 1.053 1.00 0.00 H new ATOM 0 HA ILE A 81 -5.471 -8.636 2.946 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.635 -7.624 0.128 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.593 -6.674 2.125 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.295 -7.366 0.542 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.462 -5.627 1.442 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.365 -7.097 1.881 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -6.084 -6.485 2.954 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.003 -4.932 0.505 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.370 -5.407 -0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.672 -4.705 1.077 1.00 0.00 H new ATOM 1371 N ALA A 82 -6.184 -10.360 0.172 1.00 0.00 N ATOM 1372 CA ALA A 82 -7.158 -11.214 -0.497 1.00 0.00 C ATOM 1373 C ALA A 82 -7.537 -12.424 0.365 1.00 0.00 C ATOM 1374 O ALA A 82 -8.700 -12.836 0.359 1.00 0.00 O ATOM 1375 CB ALA A 82 -6.610 -11.663 -1.855 1.00 0.00 C ATOM 0 H ALA A 82 -5.315 -10.252 -0.352 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.067 -10.634 -0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -7.342 -12.301 -2.350 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.413 -10.788 -2.475 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.685 -12.220 -1.708 1.00 0.00 H new ATOM 1381 N LYS A 83 -6.578 -12.966 1.123 1.00 0.00 N ATOM 1382 CA LYS A 83 -6.781 -13.986 2.145 1.00 0.00 C ATOM 1383 C LYS A 83 -7.770 -13.481 3.194 1.00 0.00 C ATOM 1384 O LYS A 83 -8.771 -14.150 3.442 1.00 0.00 O ATOM 1385 CB LYS A 83 -5.410 -14.375 2.740 1.00 0.00 C ATOM 1386 CG LYS A 83 -5.504 -15.227 4.013 1.00 0.00 C ATOM 1387 CD LYS A 83 -4.121 -15.722 4.482 1.00 0.00 C ATOM 1388 CE LYS A 83 -3.914 -17.219 4.207 1.00 0.00 C ATOM 1389 NZ LYS A 83 -4.824 -18.060 5.015 1.00 0.00 N ATOM 0 H LYS A 83 -5.600 -12.691 1.034 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.220 -14.886 1.716 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -4.841 -14.923 1.989 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.851 -13.466 2.963 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -5.968 -14.642 4.807 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.152 -16.084 3.828 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -3.342 -15.151 3.976 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.013 -15.533 5.550 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.079 -17.420 3.148 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.881 -17.489 4.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.446 -19.028 5.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.902 -17.665 5.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.764 -18.080 4.571 1.00 0.00 H new ATOM 1403 N ASN A 84 -7.492 -12.329 3.808 1.00 0.00 N ATOM 1404 CA ASN A 84 -8.290 -11.763 4.898 1.00 0.00 C ATOM 1405 C ASN A 84 -9.722 -11.460 4.447 1.00 0.00 C ATOM 1406 O ASN A 84 -10.686 -11.766 5.154 1.00 0.00 O ATOM 1407 CB ASN A 84 -7.636 -10.467 5.420 1.00 0.00 C ATOM 1408 CG ASN A 84 -6.556 -10.719 6.452 1.00 0.00 C ATOM 1409 OD1 ASN A 84 -6.804 -10.620 7.649 1.00 0.00 O ATOM 1410 ND2 ASN A 84 -5.344 -11.039 6.043 1.00 0.00 N ATOM 0 H ASN A 84 -6.690 -11.752 3.556 1.00 0.00 H new ATOM 0 HA ASN A 84 -8.329 -12.505 5.696 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.207 -9.920 4.580 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -8.405 -9.829 5.856 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -4.604 -11.206 6.724 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -5.147 -11.119 5.045 1.00 0.00 H new ATOM 1417 N LEU A 85 -9.869 -10.798 3.301 1.00 0.00 N ATOM 1418 CA LEU A 85 -11.116 -10.240 2.806 1.00 0.00 C ATOM 1419 C LEU A 85 -12.052 -11.336 2.321 1.00 0.00 C ATOM 1420 O LEU A 85 -11.669 -12.199 1.531 1.00 0.00 O ATOM 1421 CB LEU A 85 -10.809 -9.262 1.655 1.00 0.00 C ATOM 1422 CG LEU A 85 -10.958 -7.776 2.009 1.00 0.00 C ATOM 1423 CD1 LEU A 85 -12.434 -7.368 2.001 1.00 0.00 C ATOM 1424 CD2 LEU A 85 -10.274 -7.370 3.328 1.00 0.00 C ATOM 0 H LEU A 85 -9.086 -10.631 2.669 1.00 0.00 H new ATOM 0 HA LEU A 85 -11.612 -9.712 3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.790 -9.438 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -11.471 -9.489 0.819 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.428 -7.227 1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -12.521 -6.311 2.254 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -12.853 -7.539 1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -12.980 -7.963 2.734 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.427 -6.305 3.504 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.705 -7.940 4.152 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.206 -7.578 3.263 1.00 0.00 H new ATOM 1436 N ARG A 86 -13.315 -11.247 2.719 1.00 0.00 N ATOM 1437 CA ARG A 86 -14.413 -11.989 2.106 1.00 0.00 C ATOM 1438 C ARG A 86 -14.807 -11.294 0.797 1.00 0.00 C ATOM 1439 O ARG A 86 -15.865 -10.678 0.728 1.00 0.00 O ATOM 1440 CB ARG A 86 -15.601 -12.091 3.087 1.00 0.00 C ATOM 1441 CG ARG A 86 -15.327 -12.964 4.325 1.00 0.00 C ATOM 1442 CD ARG A 86 -15.251 -14.468 4.014 1.00 0.00 C ATOM 1443 NE ARG A 86 -16.557 -14.994 3.585 1.00 0.00 N ATOM 1444 CZ ARG A 86 -16.820 -16.236 3.161 1.00 0.00 C ATOM 1445 NH1 ARG A 86 -15.866 -17.155 3.060 1.00 0.00 N ATOM 1446 NH2 ARG A 86 -18.070 -16.545 2.848 1.00 0.00 N ATOM 0 H ARG A 86 -13.611 -10.648 3.489 1.00 0.00 H new ATOM 0 HA ARG A 86 -14.101 -13.008 1.877 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -15.872 -11.088 3.417 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -16.462 -12.495 2.555 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -14.389 -12.648 4.781 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -16.113 -12.793 5.061 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -14.512 -14.643 3.232 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.912 -15.007 4.899 1.00 0.00 H new ATOM 0 HE ARG A 86 -17.343 -14.345 3.614 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -14.905 -16.922 3.309 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -16.095 -18.094 2.734 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -18.805 -15.843 2.933 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -18.297 -17.485 2.522 1.00 0.00 H new ATOM 1460 N LEU A 87 -13.954 -11.359 -0.232 1.00 0.00 N ATOM 1461 CA LEU A 87 -14.262 -10.964 -1.610 1.00 0.00 C ATOM 1462 C LEU A 87 -13.457 -11.843 -2.574 1.00 0.00 C ATOM 1463 O LEU A 87 -12.570 -12.591 -2.152 1.00 0.00 O ATOM 1464 CB LEU A 87 -13.963 -9.464 -1.847 1.00 0.00 C ATOM 1465 CG LEU A 87 -15.091 -8.488 -1.445 1.00 0.00 C ATOM 1466 CD1 LEU A 87 -14.642 -7.049 -1.713 1.00 0.00 C ATOM 1467 CD2 LEU A 87 -16.391 -8.736 -2.227 1.00 0.00 C ATOM 0 H LEU A 87 -12.999 -11.700 -0.124 1.00 0.00 H new ATOM 0 HA LEU A 87 -15.327 -11.109 -1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.063 -9.199 -1.292 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.741 -9.319 -2.904 1.00 0.00 H new ATOM 0 HG LEU A 87 -15.290 -8.653 -0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -15.438 -6.361 -1.429 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.749 -6.832 -1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -14.419 -6.929 -2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -17.150 -8.023 -1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -16.204 -8.611 -3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -16.742 -9.750 -2.037 1.00 0.00 H new ATOM 1479 N TYR A 88 -13.758 -11.772 -3.874 1.00 0.00 N ATOM 1480 CA TYR A 88 -13.031 -12.470 -4.935 1.00 0.00 C ATOM 1481 C TYR A 88 -11.751 -11.710 -5.291 1.00 0.00 C ATOM 1482 O TYR A 88 -10.687 -12.024 -4.757 1.00 0.00 O ATOM 1483 CB TYR A 88 -13.983 -12.685 -6.123 1.00 0.00 C ATOM 1484 CG TYR A 88 -13.408 -13.219 -7.425 1.00 0.00 C ATOM 1485 CD1 TYR A 88 -12.204 -13.954 -7.489 1.00 0.00 C ATOM 1486 CD2 TYR A 88 -14.130 -12.975 -8.607 1.00 0.00 C ATOM 1487 CE1 TYR A 88 -11.725 -14.416 -8.729 1.00 0.00 C ATOM 1488 CE2 TYR A 88 -13.668 -13.452 -9.842 1.00 0.00 C ATOM 1489 CZ TYR A 88 -12.457 -14.172 -9.910 1.00 0.00 C ATOM 1490 OH TYR A 88 -11.977 -14.592 -11.112 1.00 0.00 O ATOM 0 H TYR A 88 -14.535 -11.212 -4.225 1.00 0.00 H new ATOM 0 HA TYR A 88 -12.701 -13.455 -4.604 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -14.766 -13.371 -5.800 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -14.464 -11.731 -6.339 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -11.650 -14.162 -6.585 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -15.051 -12.413 -8.563 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -10.793 -14.960 -8.777 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -14.239 -13.268 -10.740 1.00 0.00 H new ATOM 0 HH TYR A 88 -12.606 -14.343 -11.821 1.00 0.00 H new ATOM 1500 N VAL A 89 -11.832 -10.718 -6.181 1.00 0.00 N ATOM 1501 CA VAL A 89 -10.668 -9.960 -6.633 1.00 0.00 C ATOM 1502 C VAL A 89 -10.211 -8.998 -5.527 1.00 0.00 C ATOM 1503 O VAL A 89 -10.944 -8.761 -4.560 1.00 0.00 O ATOM 1504 CB VAL A 89 -10.980 -9.254 -7.972 1.00 0.00 C ATOM 1505 CG1 VAL A 89 -11.286 -10.290 -9.068 1.00 0.00 C ATOM 1506 CG2 VAL A 89 -12.148 -8.259 -7.876 1.00 0.00 C ATOM 0 H VAL A 89 -12.709 -10.419 -6.608 1.00 0.00 H new ATOM 0 HA VAL A 89 -9.833 -10.633 -6.828 1.00 0.00 H new ATOM 0 HB VAL A 89 -10.087 -8.684 -8.228 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -11.504 -9.776 -10.004 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.423 -10.942 -9.204 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -12.149 -10.887 -8.773 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -12.315 -7.798 -8.850 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -13.050 -8.786 -7.565 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -11.909 -7.486 -7.145 1.00 0.00 H new ATOM 1516 N ALA A 90 -9.028 -8.397 -5.670 1.00 0.00 N ATOM 1517 CA ALA A 90 -8.545 -7.303 -4.831 1.00 0.00 C ATOM 1518 C ALA A 90 -7.993 -6.206 -5.752 1.00 0.00 C ATOM 1519 O ALA A 90 -7.599 -6.531 -6.879 1.00 0.00 O ATOM 1520 CB ALA A 90 -7.475 -7.818 -3.857 1.00 0.00 C ATOM 0 H ALA A 90 -8.362 -8.667 -6.394 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.354 -6.891 -4.229 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.122 -6.995 -3.236 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.904 -8.593 -3.222 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.639 -8.232 -4.421 1.00 0.00 H new ATOM 1526 N PRO A 91 -7.944 -4.941 -5.307 1.00 0.00 N ATOM 1527 CA PRO A 91 -7.489 -3.818 -6.118 1.00 0.00 C ATOM 1528 C PRO A 91 -6.028 -3.952 -6.557 1.00 0.00 C ATOM 1529 O PRO A 91 -5.255 -4.735 -6.005 1.00 0.00 O ATOM 1530 CB PRO A 91 -7.708 -2.572 -5.243 1.00 0.00 C ATOM 1531 CG PRO A 91 -7.749 -3.113 -3.819 1.00 0.00 C ATOM 1532 CD PRO A 91 -8.438 -4.455 -4.030 1.00 0.00 C ATOM 0 HA PRO A 91 -8.046 -3.765 -7.053 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -6.902 -1.850 -5.371 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -8.636 -2.063 -5.502 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -6.752 -3.225 -3.393 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -8.311 -2.463 -3.148 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -8.200 -5.151 -3.225 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -9.522 -4.343 -4.044 1.00 0.00 H new ATOM 1540 N GLU A 92 -5.606 -3.147 -7.532 1.00 0.00 N ATOM 1541 CA GLU A 92 -4.188 -2.887 -7.704 1.00 0.00 C ATOM 1542 C GLU A 92 -3.732 -2.075 -6.508 1.00 0.00 C ATOM 1543 O GLU A 92 -4.397 -1.113 -6.130 1.00 0.00 O ATOM 1544 CB GLU A 92 -3.947 -2.058 -8.971 1.00 0.00 C ATOM 1545 CG GLU A 92 -2.487 -2.060 -9.421 1.00 0.00 C ATOM 1546 CD GLU A 92 -2.095 -3.372 -10.099 1.00 0.00 C ATOM 1547 OE1 GLU A 92 -1.784 -4.349 -9.384 1.00 0.00 O ATOM 1548 OE2 GLU A 92 -2.077 -3.418 -11.350 1.00 0.00 O ATOM 0 H GLU A 92 -6.216 -2.675 -8.199 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.644 -3.828 -7.789 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.570 -2.448 -9.776 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.264 -1.031 -8.791 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.320 -1.232 -10.110 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.842 -1.892 -8.558 1.00 0.00 H new ATOM 1555 N ILE A 93 -2.581 -2.438 -5.961 1.00 0.00 N ATOM 1556 CA ILE A 93 -1.914 -1.668 -4.937 1.00 0.00 C ATOM 1557 C ILE A 93 -0.971 -0.727 -5.693 1.00 0.00 C ATOM 1558 O ILE A 93 0.174 -1.090 -5.972 1.00 0.00 O ATOM 1559 CB ILE A 93 -1.208 -2.631 -3.954 1.00 0.00 C ATOM 1560 CG1 ILE A 93 -2.089 -3.804 -3.459 1.00 0.00 C ATOM 1561 CG2 ILE A 93 -0.656 -1.840 -2.761 1.00 0.00 C ATOM 1562 CD1 ILE A 93 -3.333 -3.400 -2.663 1.00 0.00 C ATOM 0 H ILE A 93 -2.082 -3.288 -6.224 1.00 0.00 H new ATOM 0 HA ILE A 93 -2.584 -1.074 -4.315 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.397 -3.094 -4.516 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -2.405 -4.389 -4.323 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.478 -4.459 -2.838 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -0.159 -2.522 -2.071 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.059 -1.098 -3.116 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -1.475 -1.337 -2.247 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -3.880 -4.294 -2.364 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.032 -2.844 -1.775 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.974 -2.773 -3.283 1.00 0.00 H new ATOM 1574 N ARG A 94 -1.460 0.445 -6.107 1.00 0.00 N ATOM 1575 CA ARG A 94 -0.583 1.496 -6.609 1.00 0.00 C ATOM 1576 C ARG A 94 0.155 2.022 -5.385 1.00 0.00 C ATOM 1577 O ARG A 94 -0.424 2.728 -4.561 1.00 0.00 O ATOM 1578 CB ARG A 94 -1.357 2.607 -7.340 1.00 0.00 C ATOM 1579 CG ARG A 94 -1.702 2.265 -8.799 1.00 0.00 C ATOM 1580 CD ARG A 94 -2.349 3.471 -9.504 1.00 0.00 C ATOM 1581 NE ARG A 94 -2.130 3.444 -10.962 1.00 0.00 N ATOM 1582 CZ ARG A 94 -2.281 4.476 -11.803 1.00 0.00 C ATOM 1583 NH1 ARG A 94 -2.897 5.596 -11.436 1.00 0.00 N ATOM 1584 NH2 ARG A 94 -1.822 4.382 -13.045 1.00 0.00 N ATOM 0 H ARG A 94 -2.451 0.685 -6.103 1.00 0.00 H new ATOM 0 HA ARG A 94 0.108 1.110 -7.359 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -2.279 2.812 -6.797 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -0.765 3.522 -7.321 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.798 1.968 -9.331 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -2.382 1.414 -8.827 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -3.419 3.479 -9.299 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -1.939 4.394 -9.093 1.00 0.00 H new ATOM 0 HE ARG A 94 -1.836 2.556 -11.369 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -3.270 5.687 -10.491 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -2.996 6.364 -12.099 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -1.358 3.528 -13.354 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -1.934 5.164 -13.690 1.00 0.00 H new ATOM 1598 N PHE A 95 1.410 1.622 -5.217 1.00 0.00 N ATOM 1599 CA PHE A 95 2.257 2.144 -4.162 1.00 0.00 C ATOM 1600 C PHE A 95 2.688 3.572 -4.519 1.00 0.00 C ATOM 1601 O PHE A 95 2.981 3.848 -5.685 1.00 0.00 O ATOM 1602 CB PHE A 95 3.445 1.189 -3.953 1.00 0.00 C ATOM 1603 CG PHE A 95 3.045 -0.156 -3.381 1.00 0.00 C ATOM 1604 CD1 PHE A 95 2.652 -0.210 -2.032 1.00 0.00 C ATOM 1605 CD2 PHE A 95 3.130 -1.350 -4.135 1.00 0.00 C ATOM 1606 CE1 PHE A 95 2.451 -1.448 -1.410 1.00 0.00 C ATOM 1607 CE2 PHE A 95 2.919 -2.588 -3.500 1.00 0.00 C ATOM 1608 CZ PHE A 95 2.595 -2.641 -2.135 1.00 0.00 C ATOM 0 H PHE A 95 1.865 0.927 -5.810 1.00 0.00 H new ATOM 0 HA PHE A 95 1.719 2.201 -3.216 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.949 1.034 -4.907 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.166 1.659 -3.285 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.505 0.704 -1.476 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.355 -1.312 -5.191 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.183 -1.485 -0.364 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.007 -3.503 -4.066 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.457 -3.594 -1.646 1.00 0.00 H new ATOM 1618 N TYR A 96 2.786 4.462 -3.526 1.00 0.00 N ATOM 1619 CA TYR A 96 3.275 5.835 -3.683 1.00 0.00 C ATOM 1620 C TYR A 96 4.388 6.117 -2.689 1.00 0.00 C ATOM 1621 O TYR A 96 4.556 5.424 -1.687 1.00 0.00 O ATOM 1622 CB TYR A 96 2.150 6.870 -3.513 1.00 0.00 C ATOM 1623 CG TYR A 96 1.153 6.861 -4.643 1.00 0.00 C ATOM 1624 CD1 TYR A 96 0.194 5.842 -4.682 1.00 0.00 C ATOM 1625 CD2 TYR A 96 1.205 7.823 -5.671 1.00 0.00 C ATOM 1626 CE1 TYR A 96 -0.676 5.755 -5.769 1.00 0.00 C ATOM 1627 CE2 TYR A 96 0.314 7.749 -6.757 1.00 0.00 C ATOM 1628 CZ TYR A 96 -0.639 6.709 -6.800 1.00 0.00 C ATOM 1629 OH TYR A 96 -1.558 6.638 -7.793 1.00 0.00 O ATOM 0 H TYR A 96 2.520 4.241 -2.566 1.00 0.00 H new ATOM 0 HA TYR A 96 3.662 5.926 -4.698 1.00 0.00 H new ATOM 0 HB2 TYR A 96 1.628 6.677 -2.576 1.00 0.00 H new ATOM 0 HB3 TYR A 96 2.590 7.864 -3.434 1.00 0.00 H new ATOM 0 HD1 TYR A 96 0.128 5.127 -3.875 1.00 0.00 H new ATOM 0 HD2 TYR A 96 1.932 8.620 -5.625 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -1.387 4.944 -5.819 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.359 8.481 -7.550 1.00 0.00 H new ATOM 0 HH TYR A 96 -2.412 6.326 -7.427 1.00 0.00 H new ATOM 1639 N GLU A 97 5.134 7.178 -2.944 1.00 0.00 N ATOM 1640 CA GLU A 97 6.292 7.664 -2.215 1.00 0.00 C ATOM 1641 C GLU A 97 5.938 8.740 -1.197 1.00 0.00 C ATOM 1642 O GLU A 97 6.657 9.712 -0.977 1.00 0.00 O ATOM 1643 CB GLU A 97 7.406 7.982 -3.185 1.00 0.00 C ATOM 1644 CG GLU A 97 7.068 8.521 -4.570 1.00 0.00 C ATOM 1645 CD GLU A 97 6.102 9.704 -4.647 1.00 0.00 C ATOM 1646 OE1 GLU A 97 4.875 9.491 -4.471 1.00 0.00 O ATOM 1647 OE2 GLU A 97 6.528 10.808 -5.034 1.00 0.00 O ATOM 0 H GLU A 97 4.924 7.777 -3.742 1.00 0.00 H new ATOM 0 HA GLU A 97 6.687 6.877 -1.572 1.00 0.00 H new ATOM 0 HB2 GLU A 97 8.060 8.709 -2.703 1.00 0.00 H new ATOM 0 HB3 GLU A 97 7.988 7.071 -3.323 1.00 0.00 H new ATOM 0 HG2 GLU A 97 8.000 8.814 -5.054 1.00 0.00 H new ATOM 0 HG3 GLU A 97 6.648 7.704 -5.156 1.00 0.00 H new ATOM 1654 N ASP A 98 4.805 8.495 -0.548 1.00 0.00 N ATOM 1655 CA ASP A 98 4.061 9.424 0.291 1.00 0.00 C ATOM 1656 C ASP A 98 3.940 10.793 -0.388 1.00 0.00 C ATOM 1657 O ASP A 98 4.546 11.776 0.036 1.00 0.00 O ATOM 1658 CB ASP A 98 4.644 9.471 1.706 1.00 0.00 C ATOM 1659 CG ASP A 98 3.935 10.509 2.561 1.00 0.00 C ATOM 1660 OD1 ASP A 98 2.688 10.571 2.497 1.00 0.00 O ATOM 1661 OD2 ASP A 98 4.609 11.242 3.326 1.00 0.00 O ATOM 0 H ASP A 98 4.353 7.582 -0.598 1.00 0.00 H new ATOM 0 HA ASP A 98 3.039 9.065 0.410 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.553 8.490 2.172 1.00 0.00 H new ATOM 0 HB3 ASP A 98 5.708 9.703 1.656 1.00 0.00 H new ATOM 1666 N LYS A 99 3.162 10.820 -1.479 1.00 0.00 N ATOM 1667 CA LYS A 99 2.903 11.916 -2.415 1.00 0.00 C ATOM 1668 C LYS A 99 4.123 12.517 -3.111 1.00 0.00 C ATOM 1669 O LYS A 99 3.953 13.117 -4.172 1.00 0.00 O ATOM 1670 CB LYS A 99 2.060 12.999 -1.719 1.00 0.00 C ATOM 1671 CG LYS A 99 0.836 13.433 -2.538 1.00 0.00 C ATOM 1672 CD LYS A 99 0.946 14.849 -3.105 1.00 0.00 C ATOM 1673 CE LYS A 99 -0.398 15.227 -3.736 1.00 0.00 C ATOM 1674 NZ LYS A 99 -0.452 16.644 -4.139 1.00 0.00 N ATOM 0 H LYS A 99 2.645 9.985 -1.754 1.00 0.00 H new ATOM 0 HA LYS A 99 2.349 11.465 -3.238 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.727 12.625 -0.751 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.687 13.870 -1.526 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.693 12.732 -3.360 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -0.052 13.371 -1.909 1.00 0.00 H new ATOM 0 HD2 LYS A 99 1.205 15.554 -2.315 1.00 0.00 H new ATOM 0 HD3 LYS A 99 1.741 14.898 -3.849 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -0.577 14.597 -4.608 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -1.200 15.023 -3.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -1.380 16.850 -4.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -0.309 17.248 -3.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 0.295 16.835 -4.837 1.00 0.00 H new