USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 653 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 177:sc= -0.367 (180deg=-0.376) USER MOD Single : A 74 ASN : amide:sc= -1.86 K(o=-1.9,f=-0.48) USER MOD Single : A 79 GLN : amide:sc= -0.148 K(o=-0.15,f=-2.2!) USER MOD Single : A 83 HIS : no HD1:sc= -0.518 X(o=-0.52,f=-0.065) USER MOD Single : A 84 HIS : no HE2:sc= -9.51! C(o=-9.5!,f=-8.5!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.00501 USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 99 MET CE :methyl -128:sc= -2.88 (180deg=-5.74!) USER MOD ----------------------------------------------------------------- ATOM 148 N GLU A 13 -8.007 -6.955 -15.953 1.00 0.00 N ATOM 149 CA GLU A 13 -7.082 -7.222 -14.865 1.00 0.00 C ATOM 150 C GLU A 13 -6.299 -5.956 -14.510 1.00 0.00 C ATOM 151 O GLU A 13 -5.849 -5.232 -15.397 1.00 0.00 O ATOM 152 CB GLU A 13 -6.135 -8.371 -15.219 1.00 0.00 C ATOM 153 CG GLU A 13 -5.063 -7.912 -16.209 1.00 0.00 C ATOM 154 CD GLU A 13 -4.088 -9.047 -16.527 1.00 0.00 C ATOM 155 OE1 GLU A 13 -3.165 -9.249 -15.708 1.00 0.00 O ATOM 156 OE2 GLU A 13 -4.287 -9.688 -17.582 1.00 0.00 O ATOM 0 HA GLU A 13 -7.659 -7.526 -13.991 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.661 -8.749 -14.313 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.703 -9.196 -15.649 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.536 -7.566 -17.128 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.517 -7.065 -15.793 1.00 0.00 H new ATOM 163 N GLU A 14 -6.161 -5.728 -13.213 1.00 0.00 N ATOM 164 CA GLU A 14 -5.440 -4.562 -12.730 1.00 0.00 C ATOM 165 C GLU A 14 -4.229 -4.280 -13.622 1.00 0.00 C ATOM 166 O GLU A 14 -3.714 -5.183 -14.280 1.00 0.00 O ATOM 167 CB GLU A 14 -5.016 -4.744 -11.272 1.00 0.00 C ATOM 168 CG GLU A 14 -6.108 -4.257 -10.318 1.00 0.00 C ATOM 169 CD GLU A 14 -6.893 -5.434 -9.736 1.00 0.00 C ATOM 170 OE1 GLU A 14 -7.533 -6.143 -10.543 1.00 0.00 O ATOM 171 OE2 GLU A 14 -6.836 -5.599 -8.499 1.00 0.00 O ATOM 0 H GLU A 14 -6.536 -6.331 -12.481 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.108 -3.702 -12.775 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.803 -5.796 -11.080 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.094 -4.193 -11.086 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.659 -3.680 -9.510 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.787 -3.589 -10.848 1.00 0.00 H new ATOM 178 N GLU A 15 -3.810 -3.023 -13.616 1.00 0.00 N ATOM 179 CA GLU A 15 -2.670 -2.610 -14.417 1.00 0.00 C ATOM 180 C GLU A 15 -1.591 -1.993 -13.525 1.00 0.00 C ATOM 181 O GLU A 15 -1.836 -1.711 -12.353 1.00 0.00 O ATOM 182 CB GLU A 15 -3.096 -1.636 -15.517 1.00 0.00 C ATOM 183 CG GLU A 15 -4.115 -0.624 -14.988 1.00 0.00 C ATOM 184 CD GLU A 15 -4.599 0.302 -16.106 1.00 0.00 C ATOM 185 OE1 GLU A 15 -5.482 -0.145 -16.870 1.00 0.00 O ATOM 186 OE2 GLU A 15 -4.076 1.435 -16.171 1.00 0.00 O ATOM 0 H GLU A 15 -4.240 -2.277 -13.069 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.252 -3.492 -14.902 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.222 -1.110 -15.901 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.527 -2.190 -16.351 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.965 -1.151 -14.554 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.665 -0.033 -14.190 1.00 0.00 H new ATOM 193 N GLU A 16 -0.420 -1.802 -14.114 1.00 0.00 N ATOM 194 CA GLU A 16 0.698 -1.224 -13.387 1.00 0.00 C ATOM 195 C GLU A 16 0.657 0.303 -13.479 1.00 0.00 C ATOM 196 O GLU A 16 0.480 0.859 -14.562 1.00 0.00 O ATOM 197 CB GLU A 16 2.030 -1.768 -13.906 1.00 0.00 C ATOM 198 CG GLU A 16 2.315 -3.158 -13.332 1.00 0.00 C ATOM 199 CD GLU A 16 2.918 -4.077 -14.396 1.00 0.00 C ATOM 200 OE1 GLU A 16 2.175 -4.412 -15.344 1.00 0.00 O ATOM 201 OE2 GLU A 16 4.108 -4.424 -14.238 1.00 0.00 O ATOM 0 H GLU A 16 -0.221 -2.037 -15.086 1.00 0.00 H new ATOM 0 HA GLU A 16 0.611 -1.509 -12.339 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.007 -1.818 -14.995 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.836 -1.086 -13.635 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.000 -3.074 -12.489 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.392 -3.594 -12.950 1.00 0.00 H new ATOM 208 N LEU A 17 0.824 0.938 -12.328 1.00 0.00 N ATOM 209 CA LEU A 17 0.809 2.389 -12.264 1.00 0.00 C ATOM 210 C LEU A 17 1.964 2.869 -11.383 1.00 0.00 C ATOM 211 O LEU A 17 2.501 2.102 -10.585 1.00 0.00 O ATOM 212 CB LEU A 17 -0.562 2.891 -11.808 1.00 0.00 C ATOM 213 CG LEU A 17 -1.771 2.127 -12.351 1.00 0.00 C ATOM 214 CD1 LEU A 17 -3.007 2.365 -11.481 1.00 0.00 C ATOM 215 CD2 LEU A 17 -2.027 2.477 -13.819 1.00 0.00 C ATOM 0 H LEU A 17 0.970 0.473 -11.432 1.00 0.00 H new ATOM 0 HA LEU A 17 0.965 2.815 -13.255 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.595 2.857 -10.719 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.658 3.937 -12.098 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.548 1.061 -12.308 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.852 1.810 -11.890 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.807 2.026 -10.465 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.244 3.429 -11.468 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.892 1.920 -14.180 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.220 3.546 -13.910 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.152 2.214 -14.414 1.00 0.00 H new ATOM 227 N THR A 18 2.312 4.136 -11.557 1.00 0.00 N ATOM 228 CA THR A 18 3.394 4.727 -10.788 1.00 0.00 C ATOM 229 C THR A 18 2.920 6.009 -10.100 1.00 0.00 C ATOM 230 O THR A 18 2.153 6.779 -10.676 1.00 0.00 O ATOM 231 CB THR A 18 4.580 4.945 -11.730 1.00 0.00 C ATOM 232 OG1 THR A 18 4.916 3.634 -12.174 1.00 0.00 O ATOM 233 CG2 THR A 18 5.833 5.422 -10.993 1.00 0.00 C ATOM 0 H THR A 18 1.864 4.769 -12.219 1.00 0.00 H new ATOM 0 HA THR A 18 3.717 4.064 -9.985 1.00 0.00 H new ATOM 0 HB THR A 18 4.308 5.674 -12.493 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.676 3.682 -12.791 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.644 5.561 -11.707 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.623 6.368 -10.493 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.125 4.677 -10.253 1.00 0.00 H new ATOM 241 N LEU A 19 3.397 6.198 -8.879 1.00 0.00 N ATOM 242 CA LEU A 19 3.032 7.373 -8.107 1.00 0.00 C ATOM 243 C LEU A 19 4.293 7.992 -7.500 1.00 0.00 C ATOM 244 O LEU A 19 5.325 7.331 -7.398 1.00 0.00 O ATOM 245 CB LEU A 19 1.960 7.023 -7.072 1.00 0.00 C ATOM 246 CG LEU A 19 0.563 6.737 -7.626 1.00 0.00 C ATOM 247 CD1 LEU A 19 -0.319 6.070 -6.568 1.00 0.00 C ATOM 248 CD2 LEU A 19 -0.077 8.009 -8.186 1.00 0.00 C ATOM 0 H LEU A 19 4.033 5.557 -8.405 1.00 0.00 H new ATOM 0 HA LEU A 19 2.585 8.128 -8.753 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.294 6.149 -6.513 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.886 7.846 -6.361 1.00 0.00 H new ATOM 0 HG LEU A 19 0.661 6.035 -8.454 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.307 5.877 -6.987 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.134 5.128 -6.258 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.413 6.729 -5.705 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.069 7.777 -8.573 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.161 8.753 -7.394 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.543 8.404 -8.991 1.00 0.00 H new ATOM 260 N THR A 20 4.168 9.253 -7.113 1.00 0.00 N ATOM 261 CA THR A 20 5.285 9.968 -6.520 1.00 0.00 C ATOM 262 C THR A 20 4.824 10.749 -5.288 1.00 0.00 C ATOM 263 O THR A 20 3.794 11.421 -5.324 1.00 0.00 O ATOM 264 CB THR A 20 5.910 10.851 -7.601 1.00 0.00 C ATOM 265 OG1 THR A 20 6.044 9.984 -8.724 1.00 0.00 O ATOM 266 CG2 THR A 20 7.347 11.256 -7.269 1.00 0.00 C ATOM 0 H THR A 20 3.310 9.798 -7.199 1.00 0.00 H new ATOM 0 HA THR A 20 6.050 9.279 -6.162 1.00 0.00 H new ATOM 0 HB THR A 20 5.302 11.746 -7.733 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.441 10.477 -9.472 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.743 11.882 -8.069 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.361 11.813 -6.332 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.963 10.362 -7.169 1.00 0.00 H new ATOM 274 N ILE A 21 5.609 10.636 -4.227 1.00 0.00 N ATOM 275 CA ILE A 21 5.294 11.324 -2.986 1.00 0.00 C ATOM 276 C ILE A 21 6.464 12.231 -2.599 1.00 0.00 C ATOM 277 O ILE A 21 7.607 11.969 -2.973 1.00 0.00 O ATOM 278 CB ILE A 21 4.910 10.318 -1.899 1.00 0.00 C ATOM 279 CG1 ILE A 21 3.789 9.394 -2.378 1.00 0.00 C ATOM 280 CG2 ILE A 21 4.547 11.032 -0.595 1.00 0.00 C ATOM 281 CD1 ILE A 21 3.916 8.006 -1.748 1.00 0.00 C ATOM 0 H ILE A 21 6.463 10.078 -4.201 1.00 0.00 H new ATOM 0 HA ILE A 21 4.423 11.966 -3.117 1.00 0.00 H new ATOM 0 HB ILE A 21 5.777 9.691 -1.692 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.822 9.827 -2.122 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.822 9.309 -3.464 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.278 10.294 0.161 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.402 11.612 -0.248 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.702 11.699 -0.768 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.107 7.369 -2.105 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.874 7.566 -2.026 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.858 8.092 -0.663 1.00 0.00 H new ATOM 293 N LEU A 22 6.139 13.278 -1.856 1.00 0.00 N ATOM 294 CA LEU A 22 7.149 14.225 -1.414 1.00 0.00 C ATOM 295 C LEU A 22 7.503 13.942 0.047 1.00 0.00 C ATOM 296 O LEU A 22 6.639 13.996 0.921 1.00 0.00 O ATOM 297 CB LEU A 22 6.684 15.660 -1.668 1.00 0.00 C ATOM 298 CG LEU A 22 6.704 16.124 -3.125 1.00 0.00 C ATOM 299 CD1 LEU A 22 7.906 17.033 -3.395 1.00 0.00 C ATOM 300 CD2 LEU A 22 6.662 14.931 -4.082 1.00 0.00 C ATOM 0 H LEU A 22 5.190 13.492 -1.549 1.00 0.00 H new ATOM 0 HA LEU A 22 8.065 14.104 -1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.668 15.764 -1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.312 16.333 -1.085 1.00 0.00 H new ATOM 0 HG LEU A 22 5.806 16.714 -3.307 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.896 17.349 -4.438 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.851 17.910 -2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.828 16.488 -3.189 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.677 15.289 -5.111 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.529 14.293 -3.907 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.750 14.359 -3.911 1.00 0.00 H new ATOM 312 N ARG A 23 8.776 13.646 0.267 1.00 0.00 N ATOM 313 CA ARG A 23 9.255 13.354 1.608 1.00 0.00 C ATOM 314 C ARG A 23 9.524 14.654 2.369 1.00 0.00 C ATOM 315 O ARG A 23 10.536 15.314 2.138 1.00 0.00 O ATOM 316 CB ARG A 23 10.537 12.521 1.565 1.00 0.00 C ATOM 317 CG ARG A 23 10.492 11.392 2.597 1.00 0.00 C ATOM 318 CD ARG A 23 11.715 10.482 2.468 1.00 0.00 C ATOM 319 NE ARG A 23 12.276 10.196 3.808 1.00 0.00 N ATOM 320 CZ ARG A 23 11.836 9.220 4.613 1.00 0.00 C ATOM 321 NH1 ARG A 23 10.827 8.430 4.221 1.00 0.00 N ATOM 322 NH2 ARG A 23 12.406 9.033 5.812 1.00 0.00 N ATOM 0 H ARG A 23 9.490 13.602 -0.460 1.00 0.00 H new ATOM 0 HA ARG A 23 8.481 12.782 2.120 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.669 12.102 0.568 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.398 13.161 1.758 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.453 11.814 3.601 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.583 10.806 2.461 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.435 9.551 1.975 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.470 10.959 1.843 1.00 0.00 H new ATOM 0 HE ARG A 23 13.045 10.778 4.139 1.00 0.00 H new ATOM 0 HH11 ARG A 23 10.393 8.572 3.309 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.493 7.687 4.835 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.174 9.634 6.111 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.071 8.290 6.425 1.00 0.00 H new ATOM 381 N LEU A 28 6.199 8.827 4.763 1.00 0.00 N ATOM 382 CA LEU A 28 4.939 8.895 4.043 1.00 0.00 C ATOM 383 C LEU A 28 3.781 8.796 5.039 1.00 0.00 C ATOM 384 O LEU A 28 4.001 8.726 6.247 1.00 0.00 O ATOM 385 CB LEU A 28 4.894 7.836 2.940 1.00 0.00 C ATOM 386 CG LEU A 28 6.095 7.802 1.994 1.00 0.00 C ATOM 387 CD1 LEU A 28 5.992 6.627 1.019 1.00 0.00 C ATOM 388 CD2 LEU A 28 6.258 9.138 1.266 1.00 0.00 C ATOM 0 HA LEU A 28 4.842 9.855 3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.797 6.856 3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.994 7.996 2.347 1.00 0.00 H new ATOM 0 HG LEU A 28 6.995 7.648 2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.858 6.626 0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.961 5.692 1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.083 6.725 0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.119 9.087 0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.361 9.347 0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.410 9.934 1.995 1.00 0.00 H new ATOM 400 N GLY A 29 2.573 8.792 4.495 1.00 0.00 N ATOM 401 CA GLY A 29 1.381 8.702 5.321 1.00 0.00 C ATOM 402 C GLY A 29 0.410 7.656 4.769 1.00 0.00 C ATOM 403 O GLY A 29 -0.720 7.982 4.408 1.00 0.00 O ATOM 0 H GLY A 29 2.394 8.850 3.492 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.660 8.441 6.342 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.889 9.674 5.363 1.00 0.00 H new ATOM 407 N ILE A 30 0.886 6.420 4.721 1.00 0.00 N ATOM 408 CA ILE A 30 0.074 5.324 4.220 1.00 0.00 C ATOM 409 C ILE A 30 0.365 4.064 5.037 1.00 0.00 C ATOM 410 O ILE A 30 1.381 3.988 5.726 1.00 0.00 O ATOM 411 CB ILE A 30 0.287 5.144 2.715 1.00 0.00 C ATOM 412 CG1 ILE A 30 1.776 5.187 2.364 1.00 0.00 C ATOM 413 CG2 ILE A 30 -0.520 6.173 1.920 1.00 0.00 C ATOM 414 CD1 ILE A 30 2.170 3.986 1.501 1.00 0.00 C ATOM 0 H ILE A 30 1.824 6.154 5.021 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.986 5.547 4.345 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.082 4.158 2.432 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.002 6.111 1.832 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.369 5.193 3.279 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.351 6.023 0.854 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.581 6.052 2.140 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.204 7.178 2.200 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.233 4.040 1.265 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.966 3.064 2.045 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.592 3.997 0.577 1.00 0.00 H new ATOM 426 N SER A 31 -0.546 3.107 4.934 1.00 0.00 N ATOM 427 CA SER A 31 -0.400 1.855 5.656 1.00 0.00 C ATOM 428 C SER A 31 -0.346 0.686 4.669 1.00 0.00 C ATOM 429 O SER A 31 -1.043 0.693 3.656 1.00 0.00 O ATOM 430 CB SER A 31 -1.543 1.656 6.652 1.00 0.00 C ATOM 431 OG SER A 31 -1.342 2.400 7.851 1.00 0.00 O ATOM 0 H SER A 31 -1.388 3.174 4.362 1.00 0.00 H new ATOM 0 HA SER A 31 0.533 1.892 6.219 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.483 1.959 6.191 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.633 0.597 6.893 1.00 0.00 H new ATOM 0 HG SER A 31 -2.094 2.248 8.461 1.00 0.00 H new ATOM 437 N ILE A 32 0.487 -0.289 5.001 1.00 0.00 N ATOM 438 CA ILE A 32 0.640 -1.462 4.158 1.00 0.00 C ATOM 439 C ILE A 32 0.128 -2.694 4.906 1.00 0.00 C ATOM 440 O ILE A 32 -0.062 -2.652 6.121 1.00 0.00 O ATOM 441 CB ILE A 32 2.087 -1.591 3.677 1.00 0.00 C ATOM 442 CG1 ILE A 32 3.033 -1.853 4.851 1.00 0.00 C ATOM 443 CG2 ILE A 32 2.507 -0.365 2.865 1.00 0.00 C ATOM 444 CD1 ILE A 32 4.377 -2.396 4.362 1.00 0.00 C ATOM 0 H ILE A 32 1.063 -0.291 5.843 1.00 0.00 H new ATOM 0 HA ILE A 32 0.036 -1.364 3.256 1.00 0.00 H new ATOM 0 HB ILE A 32 2.151 -2.453 3.013 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.191 -0.930 5.408 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.577 -2.566 5.538 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.539 -0.483 2.536 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.858 -0.265 1.995 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.424 0.528 3.485 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.030 -2.573 5.216 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.218 -3.332 3.826 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.842 -1.670 3.695 1.00 0.00 H new ATOM 456 N ALA A 33 -0.080 -3.762 4.151 1.00 0.00 N ATOM 457 CA ALA A 33 -0.567 -5.004 4.728 1.00 0.00 C ATOM 458 C ALA A 33 -0.387 -6.137 3.715 1.00 0.00 C ATOM 459 O ALA A 33 -0.667 -5.964 2.529 1.00 0.00 O ATOM 460 CB ALA A 33 -2.025 -4.831 5.157 1.00 0.00 C ATOM 0 H ALA A 33 0.080 -3.793 3.144 1.00 0.00 H new ATOM 0 HA ALA A 33 0.006 -5.264 5.618 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -2.390 -5.763 5.590 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.094 -4.035 5.898 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.631 -4.572 4.289 1.00 0.00 H new ATOM 466 N GLY A 34 0.078 -7.270 4.219 1.00 0.00 N ATOM 467 CA GLY A 34 0.298 -8.431 3.373 1.00 0.00 C ATOM 468 C GLY A 34 1.751 -8.904 3.458 1.00 0.00 C ATOM 469 O GLY A 34 2.167 -9.466 4.470 1.00 0.00 O ATOM 0 H GLY A 34 0.309 -7.409 5.203 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.369 -9.238 3.676 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.052 -8.185 2.340 1.00 0.00 H new ATOM 473 N GLY A 35 2.483 -8.658 2.381 1.00 0.00 N ATOM 474 CA GLY A 35 3.881 -9.052 2.321 1.00 0.00 C ATOM 475 C GLY A 35 4.017 -10.563 2.121 1.00 0.00 C ATOM 476 O GLY A 35 3.401 -11.131 1.221 1.00 0.00 O ATOM 0 H GLY A 35 2.135 -8.191 1.544 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.376 -8.527 1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.386 -8.756 3.241 1.00 0.00 H new ATOM 480 N LYS A 36 4.827 -11.170 2.976 1.00 0.00 N ATOM 481 CA LYS A 36 5.052 -12.604 2.904 1.00 0.00 C ATOM 482 C LYS A 36 4.834 -13.219 4.288 1.00 0.00 C ATOM 483 O LYS A 36 5.280 -12.669 5.293 1.00 0.00 O ATOM 484 CB LYS A 36 6.429 -12.901 2.308 1.00 0.00 C ATOM 485 CG LYS A 36 6.783 -14.382 2.458 1.00 0.00 C ATOM 486 CD LYS A 36 7.252 -14.971 1.126 1.00 0.00 C ATOM 487 CE LYS A 36 8.655 -14.475 0.771 1.00 0.00 C ATOM 488 NZ LYS A 36 9.421 -15.536 0.080 1.00 0.00 N ATOM 0 H LYS A 36 5.335 -10.695 3.722 1.00 0.00 H new ATOM 0 HA LYS A 36 4.333 -13.070 2.231 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.440 -12.626 1.253 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.184 -12.291 2.805 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.566 -14.498 3.207 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.914 -14.933 2.817 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.251 -16.059 1.185 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.554 -14.694 0.336 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.585 -13.594 0.132 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.180 -14.171 1.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.371 -15.182 -0.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.504 -16.365 0.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.928 -15.807 -0.795 1.00 0.00 H new ATOM 502 N GLY A 37 4.148 -14.353 4.295 1.00 0.00 N ATOM 503 CA GLY A 37 3.866 -15.050 5.538 1.00 0.00 C ATOM 504 C GLY A 37 2.548 -14.570 6.148 1.00 0.00 C ATOM 505 O GLY A 37 1.639 -15.367 6.376 1.00 0.00 O ATOM 0 H GLY A 37 3.779 -14.806 3.459 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.816 -16.123 5.354 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.679 -14.885 6.244 1.00 0.00 H new ATOM 509 N SER A 38 2.485 -13.270 6.395 1.00 0.00 N ATOM 510 CA SER A 38 1.292 -12.675 6.974 1.00 0.00 C ATOM 511 C SER A 38 0.093 -12.902 6.051 1.00 0.00 C ATOM 512 O SER A 38 0.257 -13.318 4.905 1.00 0.00 O ATOM 513 CB SER A 38 1.491 -11.179 7.228 1.00 0.00 C ATOM 514 OG SER A 38 1.288 -10.838 8.597 1.00 0.00 O ATOM 0 H SER A 38 3.241 -12.612 6.205 1.00 0.00 H new ATOM 0 HA SER A 38 1.100 -13.157 7.933 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.499 -10.891 6.928 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.799 -10.611 6.606 1.00 0.00 H new ATOM 0 HG SER A 38 1.426 -9.875 8.718 1.00 0.00 H new ATOM 520 N THR A 39 -1.086 -12.619 6.585 1.00 0.00 N ATOM 521 CA THR A 39 -2.312 -12.788 5.824 1.00 0.00 C ATOM 522 C THR A 39 -2.413 -11.720 4.733 1.00 0.00 C ATOM 523 O THR A 39 -1.987 -10.584 4.930 1.00 0.00 O ATOM 524 CB THR A 39 -3.485 -12.765 6.806 1.00 0.00 C ATOM 525 OG1 THR A 39 -3.431 -14.040 7.441 1.00 0.00 O ATOM 526 CG2 THR A 39 -4.841 -12.759 6.098 1.00 0.00 C ATOM 0 H THR A 39 -1.218 -12.274 7.536 1.00 0.00 H new ATOM 0 HA THR A 39 -2.325 -13.745 5.302 1.00 0.00 H new ATOM 0 HB THR A 39 -3.406 -11.886 7.446 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.157 -14.110 8.096 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.639 -12.743 6.840 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.917 -11.875 5.464 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.935 -13.655 5.484 1.00 0.00 H new ATOM 534 N PRO A 40 -2.994 -12.135 3.575 1.00 0.00 N ATOM 535 CA PRO A 40 -3.156 -11.228 2.452 1.00 0.00 C ATOM 536 C PRO A 40 -4.293 -10.236 2.708 1.00 0.00 C ATOM 537 O PRO A 40 -5.318 -10.597 3.284 1.00 0.00 O ATOM 538 CB PRO A 40 -3.411 -12.127 1.253 1.00 0.00 C ATOM 539 CG PRO A 40 -3.843 -13.468 1.823 1.00 0.00 C ATOM 540 CD PRO A 40 -3.510 -13.474 3.306 1.00 0.00 C ATOM 0 HA PRO A 40 -2.278 -10.604 2.285 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.184 -11.709 0.609 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.512 -12.232 0.645 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.912 -13.621 1.671 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.329 -14.283 1.313 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.393 -13.687 3.909 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.770 -14.239 3.543 1.00 0.00 H new ATOM 548 N TYR A 41 -4.073 -9.006 2.268 1.00 0.00 N ATOM 549 CA TYR A 41 -5.066 -7.960 2.442 1.00 0.00 C ATOM 550 C TYR A 41 -6.371 -8.319 1.730 1.00 0.00 C ATOM 551 O TYR A 41 -7.453 -7.944 2.181 1.00 0.00 O ATOM 552 CB TYR A 41 -4.475 -6.705 1.796 1.00 0.00 C ATOM 553 CG TYR A 41 -5.451 -5.531 1.710 1.00 0.00 C ATOM 554 CD1 TYR A 41 -5.567 -4.651 2.768 1.00 0.00 C ATOM 555 CD2 TYR A 41 -6.216 -5.350 0.576 1.00 0.00 C ATOM 556 CE1 TYR A 41 -6.486 -3.545 2.687 1.00 0.00 C ATOM 557 CE2 TYR A 41 -7.135 -4.245 0.496 1.00 0.00 C ATOM 558 CZ TYR A 41 -7.225 -3.397 1.555 1.00 0.00 C ATOM 559 OH TYR A 41 -8.092 -2.352 1.479 1.00 0.00 O ATOM 0 H TYR A 41 -3.221 -8.710 1.791 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.293 -7.819 3.499 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.599 -6.395 2.365 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.132 -6.953 0.792 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.969 -4.792 3.656 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.125 -6.038 -0.252 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -6.586 -2.849 3.507 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -7.740 -4.093 -0.386 1.00 0.00 H new ATOM 0 HH TYR A 41 -8.551 -2.370 0.614 1.00 0.00 H new ATOM 569 N LYS A 42 -6.228 -9.042 0.629 1.00 0.00 N ATOM 570 CA LYS A 42 -7.382 -9.456 -0.150 1.00 0.00 C ATOM 571 C LYS A 42 -6.976 -10.593 -1.091 1.00 0.00 C ATOM 572 O LYS A 42 -5.965 -10.498 -1.784 1.00 0.00 O ATOM 573 CB LYS A 42 -8.003 -8.256 -0.868 1.00 0.00 C ATOM 574 CG LYS A 42 -7.074 -7.733 -1.965 1.00 0.00 C ATOM 575 CD LYS A 42 -7.524 -6.355 -2.455 1.00 0.00 C ATOM 576 CE LYS A 42 -8.444 -6.479 -3.671 1.00 0.00 C ATOM 577 NZ LYS A 42 -8.446 -5.220 -4.449 1.00 0.00 N ATOM 0 H LYS A 42 -5.330 -9.352 0.258 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.162 -9.846 0.504 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.960 -8.543 -1.303 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.206 -7.462 -0.149 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.054 -7.672 -1.584 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.061 -8.433 -2.800 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.044 -5.832 -1.653 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.652 -5.755 -2.714 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.113 -7.303 -4.303 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.457 -6.714 -3.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.075 -5.321 -5.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.783 -4.441 -3.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.481 -5.012 -4.776 1.00 0.00 H new ATOM 591 N GLY A 43 -7.787 -11.641 -1.085 1.00 0.00 N ATOM 592 CA GLY A 43 -7.524 -12.794 -1.929 1.00 0.00 C ATOM 593 C GLY A 43 -6.200 -13.461 -1.551 1.00 0.00 C ATOM 594 O GLY A 43 -5.392 -12.879 -0.828 1.00 0.00 O ATOM 0 H GLY A 43 -8.626 -11.716 -0.509 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.338 -13.513 -1.832 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.494 -12.485 -2.974 1.00 0.00 H new ATOM 598 N ASP A 44 -6.018 -14.671 -2.057 1.00 0.00 N ATOM 599 CA ASP A 44 -4.805 -15.423 -1.782 1.00 0.00 C ATOM 600 C ASP A 44 -3.646 -14.825 -2.583 1.00 0.00 C ATOM 601 O ASP A 44 -3.198 -15.413 -3.566 1.00 0.00 O ATOM 602 CB ASP A 44 -4.959 -16.888 -2.196 1.00 0.00 C ATOM 603 CG ASP A 44 -5.625 -17.787 -1.153 1.00 0.00 C ATOM 604 OD1 ASP A 44 -5.255 -17.652 0.033 1.00 0.00 O ATOM 605 OD2 ASP A 44 -6.490 -18.590 -1.566 1.00 0.00 O ATOM 0 H ASP A 44 -6.690 -15.150 -2.656 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.611 -15.369 -0.711 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.542 -16.931 -3.116 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.972 -17.291 -2.425 1.00 0.00 H new ATOM 610 N ASP A 45 -3.196 -13.663 -2.133 1.00 0.00 N ATOM 611 CA ASP A 45 -2.098 -12.979 -2.795 1.00 0.00 C ATOM 612 C ASP A 45 -1.192 -12.338 -1.742 1.00 0.00 C ATOM 613 O ASP A 45 -1.561 -11.339 -1.125 1.00 0.00 O ATOM 614 CB ASP A 45 -2.615 -11.869 -3.713 1.00 0.00 C ATOM 615 CG ASP A 45 -2.892 -12.299 -5.155 1.00 0.00 C ATOM 616 OD1 ASP A 45 -3.134 -13.509 -5.350 1.00 0.00 O ATOM 617 OD2 ASP A 45 -2.855 -11.407 -6.030 1.00 0.00 O ATOM 0 H ASP A 45 -3.572 -13.178 -1.318 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.552 -13.713 -3.388 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.533 -11.465 -3.288 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.886 -11.059 -3.725 1.00 0.00 H new ATOM 622 N GLU A 46 -0.024 -12.938 -1.568 1.00 0.00 N ATOM 623 CA GLU A 46 0.937 -12.438 -0.599 1.00 0.00 C ATOM 624 C GLU A 46 1.624 -11.180 -1.134 1.00 0.00 C ATOM 625 O GLU A 46 2.850 -11.130 -1.227 1.00 0.00 O ATOM 626 CB GLU A 46 1.964 -13.514 -0.241 1.00 0.00 C ATOM 627 CG GLU A 46 1.293 -14.706 0.444 1.00 0.00 C ATOM 628 CD GLU A 46 0.974 -14.390 1.907 1.00 0.00 C ATOM 629 OE1 GLU A 46 1.896 -14.546 2.736 1.00 0.00 O ATOM 630 OE2 GLU A 46 -0.186 -13.998 2.162 1.00 0.00 O ATOM 0 H GLU A 46 0.279 -13.766 -2.081 1.00 0.00 H new ATOM 0 HA GLU A 46 0.402 -12.176 0.313 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.475 -13.849 -1.144 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.724 -13.092 0.417 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.375 -14.964 -0.084 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.947 -15.576 0.391 1.00 0.00 H new ATOM 637 N GLY A 47 0.805 -10.196 -1.473 1.00 0.00 N ATOM 638 CA GLY A 47 1.319 -8.941 -1.997 1.00 0.00 C ATOM 639 C GLY A 47 1.147 -7.811 -0.979 1.00 0.00 C ATOM 640 O GLY A 47 0.485 -7.986 0.042 1.00 0.00 O ATOM 0 H GLY A 47 -0.211 -10.242 -1.395 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.374 -9.052 -2.248 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.797 -8.687 -2.920 1.00 0.00 H new ATOM 644 N ILE A 48 1.755 -6.677 -1.295 1.00 0.00 N ATOM 645 CA ILE A 48 1.678 -5.519 -0.421 1.00 0.00 C ATOM 646 C ILE A 48 0.569 -4.587 -0.913 1.00 0.00 C ATOM 647 O ILE A 48 0.680 -3.997 -1.987 1.00 0.00 O ATOM 648 CB ILE A 48 3.046 -4.841 -0.308 1.00 0.00 C ATOM 649 CG1 ILE A 48 4.045 -5.742 0.421 1.00 0.00 C ATOM 650 CG2 ILE A 48 2.924 -3.468 0.355 1.00 0.00 C ATOM 651 CD1 ILE A 48 3.721 -5.826 1.914 1.00 0.00 C ATOM 0 H ILE A 48 2.303 -6.536 -2.144 1.00 0.00 H new ATOM 0 HA ILE A 48 1.414 -5.823 0.592 1.00 0.00 H new ATOM 0 HB ILE A 48 3.432 -4.680 -1.315 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.025 -6.741 -0.016 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.055 -5.355 0.286 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.910 -3.008 0.423 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.268 -2.833 -0.241 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.507 -3.583 1.356 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.446 -6.473 2.408 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.766 -4.829 2.353 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.720 -6.236 2.047 1.00 0.00 H new ATOM 663 N PHE A 49 -0.475 -4.483 -0.104 1.00 0.00 N ATOM 664 CA PHE A 49 -1.603 -3.633 -0.444 1.00 0.00 C ATOM 665 C PHE A 49 -1.764 -2.502 0.574 1.00 0.00 C ATOM 666 O PHE A 49 -1.399 -2.654 1.739 1.00 0.00 O ATOM 667 CB PHE A 49 -2.853 -4.514 -0.411 1.00 0.00 C ATOM 668 CG PHE A 49 -3.010 -5.418 -1.636 1.00 0.00 C ATOM 669 CD1 PHE A 49 -1.996 -6.244 -2.006 1.00 0.00 C ATOM 670 CD2 PHE A 49 -4.165 -5.394 -2.355 1.00 0.00 C ATOM 671 CE1 PHE A 49 -2.141 -7.082 -3.143 1.00 0.00 C ATOM 672 CE2 PHE A 49 -4.311 -6.232 -3.491 1.00 0.00 C ATOM 673 CZ PHE A 49 -3.296 -7.059 -3.862 1.00 0.00 C ATOM 0 H PHE A 49 -0.563 -4.973 0.786 1.00 0.00 H new ATOM 0 HA PHE A 49 -1.448 -3.184 -1.425 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.824 -5.135 0.485 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.733 -3.876 -0.328 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.080 -6.263 -1.435 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.971 -4.737 -2.061 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.335 -7.738 -3.437 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.228 -6.213 -4.061 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.407 -7.697 -4.727 1.00 0.00 H new ATOM 683 N ILE A 50 -2.311 -1.393 0.098 1.00 0.00 N ATOM 684 CA ILE A 50 -2.524 -0.237 0.952 1.00 0.00 C ATOM 685 C ILE A 50 -3.614 -0.560 1.976 1.00 0.00 C ATOM 686 O ILE A 50 -4.710 -0.981 1.611 1.00 0.00 O ATOM 687 CB ILE A 50 -2.822 1.004 0.109 1.00 0.00 C ATOM 688 CG1 ILE A 50 -1.731 1.228 -0.941 1.00 0.00 C ATOM 689 CG2 ILE A 50 -3.025 2.234 0.996 1.00 0.00 C ATOM 690 CD1 ILE A 50 -0.349 1.299 -0.289 1.00 0.00 C ATOM 0 H ILE A 50 -2.613 -1.271 -0.868 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.618 -0.004 1.511 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.756 0.837 -0.427 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.752 0.418 -1.671 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.929 2.152 -1.484 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.235 3.102 0.371 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.863 2.061 1.671 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.122 2.416 1.578 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.408 1.459 -1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.324 2.125 0.422 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.145 0.364 0.233 1.00 0.00 H new ATOM 702 N SER A 51 -3.274 -0.351 3.240 1.00 0.00 N ATOM 703 CA SER A 51 -4.209 -0.615 4.320 1.00 0.00 C ATOM 704 C SER A 51 -4.954 0.669 4.692 1.00 0.00 C ATOM 705 O SER A 51 -6.133 0.628 5.038 1.00 0.00 O ATOM 706 CB SER A 51 -3.490 -1.186 5.544 1.00 0.00 C ATOM 707 OG SER A 51 -4.199 -0.920 6.752 1.00 0.00 O ATOM 0 H SER A 51 -2.364 -0.002 3.540 1.00 0.00 H new ATOM 0 HA SER A 51 -4.928 -1.358 3.976 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.369 -2.263 5.424 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.490 -0.758 5.609 1.00 0.00 H new ATOM 0 HG SER A 51 -3.709 -1.302 7.510 1.00 0.00 H new ATOM 713 N ARG A 52 -4.234 1.778 4.609 1.00 0.00 N ATOM 714 CA ARG A 52 -4.811 3.071 4.933 1.00 0.00 C ATOM 715 C ARG A 52 -4.064 4.186 4.198 1.00 0.00 C ATOM 716 O ARG A 52 -2.876 4.054 3.906 1.00 0.00 O ATOM 717 CB ARG A 52 -4.756 3.338 6.439 1.00 0.00 C ATOM 718 CG ARG A 52 -5.801 4.377 6.850 1.00 0.00 C ATOM 719 CD ARG A 52 -7.218 3.859 6.599 1.00 0.00 C ATOM 720 NE ARG A 52 -8.179 4.567 7.474 1.00 0.00 N ATOM 721 CZ ARG A 52 -8.515 5.856 7.332 1.00 0.00 C ATOM 722 NH1 ARG A 52 -7.969 6.587 6.350 1.00 0.00 N ATOM 723 NH2 ARG A 52 -9.395 6.416 8.173 1.00 0.00 N ATOM 0 H ARG A 52 -3.256 1.808 4.322 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.854 3.056 4.615 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.928 2.409 6.983 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.761 3.689 6.714 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.681 4.621 7.906 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.642 5.299 6.290 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.488 4.007 5.553 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.261 2.787 6.790 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.613 4.041 8.233 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.298 6.162 5.711 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.225 7.568 6.242 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.809 5.861 8.922 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.651 7.397 8.065 1.00 0.00 H new ATOM 737 N VAL A 53 -4.791 5.258 3.919 1.00 0.00 N ATOM 738 CA VAL A 53 -4.212 6.394 3.223 1.00 0.00 C ATOM 739 C VAL A 53 -4.512 7.673 4.006 1.00 0.00 C ATOM 740 O VAL A 53 -5.643 8.159 3.999 1.00 0.00 O ATOM 741 CB VAL A 53 -4.724 6.441 1.781 1.00 0.00 C ATOM 742 CG1 VAL A 53 -4.551 7.839 1.184 1.00 0.00 C ATOM 743 CG2 VAL A 53 -4.030 5.385 0.918 1.00 0.00 C ATOM 0 H VAL A 53 -5.776 5.364 4.162 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.128 6.295 3.166 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.790 6.213 1.796 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.922 7.846 0.159 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.112 8.560 1.778 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.495 8.109 1.189 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.412 5.440 -0.101 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.955 5.568 0.913 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.228 4.394 1.327 1.00 0.00 H new ATOM 753 N SER A 54 -3.481 8.183 4.662 1.00 0.00 N ATOM 754 CA SER A 54 -3.620 9.397 5.449 1.00 0.00 C ATOM 755 C SER A 54 -4.392 10.451 4.652 1.00 0.00 C ATOM 756 O SER A 54 -3.860 11.034 3.709 1.00 0.00 O ATOM 757 CB SER A 54 -2.253 9.943 5.866 1.00 0.00 C ATOM 758 OG SER A 54 -1.681 9.191 6.933 1.00 0.00 O ATOM 0 H SER A 54 -2.545 7.778 4.665 1.00 0.00 H new ATOM 0 HA SER A 54 -4.176 9.156 6.355 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.579 9.927 5.009 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.356 10.984 6.171 1.00 0.00 H new ATOM 0 HG SER A 54 -0.808 9.570 7.169 1.00 0.00 H new ATOM 764 N GLU A 55 -5.634 10.664 5.062 1.00 0.00 N ATOM 765 CA GLU A 55 -6.484 11.637 4.398 1.00 0.00 C ATOM 766 C GLU A 55 -5.688 12.903 4.074 1.00 0.00 C ATOM 767 O GLU A 55 -5.629 13.325 2.920 1.00 0.00 O ATOM 768 CB GLU A 55 -7.712 11.965 5.251 1.00 0.00 C ATOM 769 CG GLU A 55 -9.003 11.600 4.515 1.00 0.00 C ATOM 770 CD GLU A 55 -9.965 12.788 4.475 1.00 0.00 C ATOM 771 OE1 GLU A 55 -10.115 13.434 5.534 1.00 0.00 O ATOM 772 OE2 GLU A 55 -10.530 13.024 3.385 1.00 0.00 O ATOM 0 H GLU A 55 -6.072 10.179 5.846 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.837 11.204 3.462 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.660 11.421 6.194 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.716 13.027 5.496 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.769 11.282 3.499 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.482 10.756 5.011 1.00 0.00 H new ATOM 779 N GLU A 56 -5.096 13.474 5.112 1.00 0.00 N ATOM 780 CA GLU A 56 -4.307 14.683 4.953 1.00 0.00 C ATOM 781 C GLU A 56 -2.818 14.371 5.117 1.00 0.00 C ATOM 782 O GLU A 56 -2.189 14.815 6.076 1.00 0.00 O ATOM 783 CB GLU A 56 -4.752 15.764 5.940 1.00 0.00 C ATOM 784 CG GLU A 56 -5.314 16.981 5.203 1.00 0.00 C ATOM 785 CD GLU A 56 -5.406 18.192 6.135 1.00 0.00 C ATOM 786 OE1 GLU A 56 -4.328 18.675 6.545 1.00 0.00 O ATOM 787 OE2 GLU A 56 -6.551 18.606 6.415 1.00 0.00 O ATOM 0 H GLU A 56 -5.147 13.121 6.068 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.469 15.068 3.946 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.509 15.359 6.611 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.907 16.067 6.558 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.678 17.221 4.351 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.302 16.747 4.807 1.00 0.00 H new ATOM 794 N GLY A 57 -2.297 13.608 4.167 1.00 0.00 N ATOM 795 CA GLY A 57 -0.895 13.231 4.195 1.00 0.00 C ATOM 796 C GLY A 57 -0.223 13.519 2.851 1.00 0.00 C ATOM 797 O GLY A 57 -0.831 14.115 1.964 1.00 0.00 O ATOM 0 H GLY A 57 -2.822 13.241 3.373 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.383 13.779 4.986 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.804 12.171 4.431 1.00 0.00 H new ATOM 801 N PRO A 58 1.056 13.070 2.740 1.00 0.00 N ATOM 802 CA PRO A 58 1.818 13.273 1.519 1.00 0.00 C ATOM 803 C PRO A 58 1.351 12.320 0.416 1.00 0.00 C ATOM 804 O PRO A 58 1.345 12.681 -0.759 1.00 0.00 O ATOM 805 CB PRO A 58 3.268 13.055 1.918 1.00 0.00 C ATOM 806 CG PRO A 58 3.228 12.285 3.229 1.00 0.00 C ATOM 807 CD PRO A 58 1.809 12.360 3.769 1.00 0.00 C ATOM 0 HA PRO A 58 1.681 14.269 1.099 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.804 12.495 1.152 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.787 14.006 2.039 1.00 0.00 H new ATOM 0 HG2 PRO A 58 3.522 11.247 3.072 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.932 12.711 3.944 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.399 11.365 3.944 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.775 12.890 4.721 1.00 0.00 H new ATOM 815 N ALA A 59 0.971 11.122 0.836 1.00 0.00 N ATOM 816 CA ALA A 59 0.504 10.115 -0.101 1.00 0.00 C ATOM 817 C ALA A 59 -0.782 10.604 -0.770 1.00 0.00 C ATOM 818 O ALA A 59 -0.851 10.700 -1.995 1.00 0.00 O ATOM 819 CB ALA A 59 0.310 8.786 0.632 1.00 0.00 C ATOM 0 H ALA A 59 0.977 10.826 1.812 1.00 0.00 H new ATOM 0 HA ALA A 59 1.242 9.950 -0.886 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.040 8.030 -0.071 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.258 8.467 1.064 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.426 8.912 1.426 1.00 0.00 H new ATOM 825 N ALA A 60 -1.769 10.902 0.062 1.00 0.00 N ATOM 826 CA ALA A 60 -3.048 11.379 -0.433 1.00 0.00 C ATOM 827 C ALA A 60 -2.812 12.339 -1.601 1.00 0.00 C ATOM 828 O ALA A 60 -3.515 12.280 -2.609 1.00 0.00 O ATOM 829 CB ALA A 60 -3.827 12.033 0.710 1.00 0.00 C ATOM 0 H ALA A 60 -1.708 10.822 1.077 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.649 10.549 -0.804 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.787 12.391 0.338 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.994 11.302 1.501 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.256 12.872 1.106 1.00 0.00 H new ATOM 835 N ARG A 61 -1.821 13.200 -1.427 1.00 0.00 N ATOM 836 CA ARG A 61 -1.483 14.171 -2.454 1.00 0.00 C ATOM 837 C ARG A 61 -1.004 13.459 -3.721 1.00 0.00 C ATOM 838 O ARG A 61 -1.463 13.765 -4.820 1.00 0.00 O ATOM 839 CB ARG A 61 -0.391 15.127 -1.971 1.00 0.00 C ATOM 840 CG ARG A 61 -0.857 15.919 -0.747 1.00 0.00 C ATOM 841 CD ARG A 61 -0.208 17.303 -0.710 1.00 0.00 C ATOM 842 NE ARG A 61 -1.165 18.324 -1.192 1.00 0.00 N ATOM 843 CZ ARG A 61 -1.001 19.644 -1.029 1.00 0.00 C ATOM 844 NH1 ARG A 61 0.084 20.111 -0.396 1.00 0.00 N ATOM 845 NH2 ARG A 61 -1.921 20.497 -1.500 1.00 0.00 N ATOM 0 H ARG A 61 -1.240 13.246 -0.590 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.382 14.747 -2.674 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.508 14.562 -1.723 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.124 15.815 -2.773 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.942 16.023 -0.768 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.607 15.372 0.162 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.107 17.539 0.306 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.688 17.310 -1.331 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.002 18.003 -1.679 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.785 19.462 -0.038 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.209 21.116 -0.272 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.746 20.142 -1.983 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.796 21.502 -1.376 1.00 0.00 H new ATOM 859 N ALA A 62 -0.089 12.522 -3.524 1.00 0.00 N ATOM 860 CA ALA A 62 0.457 11.764 -4.637 1.00 0.00 C ATOM 861 C ALA A 62 -0.691 11.187 -5.468 1.00 0.00 C ATOM 862 O ALA A 62 -0.604 11.125 -6.693 1.00 0.00 O ATOM 863 CB ALA A 62 1.394 10.677 -4.104 1.00 0.00 C ATOM 0 H ALA A 62 0.288 12.270 -2.610 1.00 0.00 H new ATOM 0 HA ALA A 62 1.044 12.410 -5.289 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.804 10.108 -4.939 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.208 11.140 -3.546 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.838 10.008 -3.447 1.00 0.00 H new ATOM 869 N GLY A 63 -1.740 10.781 -4.768 1.00 0.00 N ATOM 870 CA GLY A 63 -2.904 10.212 -5.426 1.00 0.00 C ATOM 871 C GLY A 63 -3.040 8.722 -5.108 1.00 0.00 C ATOM 872 O GLY A 63 -3.512 7.947 -5.938 1.00 0.00 O ATOM 0 H GLY A 63 -1.808 10.835 -3.752 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.802 10.740 -5.104 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.821 10.351 -6.504 1.00 0.00 H new ATOM 876 N VAL A 64 -2.617 8.365 -3.904 1.00 0.00 N ATOM 877 CA VAL A 64 -2.685 6.981 -3.466 1.00 0.00 C ATOM 878 C VAL A 64 -4.103 6.675 -2.979 1.00 0.00 C ATOM 879 O VAL A 64 -4.807 7.565 -2.506 1.00 0.00 O ATOM 880 CB VAL A 64 -1.617 6.715 -2.403 1.00 0.00 C ATOM 881 CG1 VAL A 64 -1.983 7.389 -1.079 1.00 0.00 C ATOM 882 CG2 VAL A 64 -1.396 5.214 -2.212 1.00 0.00 C ATOM 0 H VAL A 64 -2.226 9.011 -3.218 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.473 6.307 -4.296 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.680 7.149 -2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.208 7.185 -0.340 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.066 8.465 -1.229 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.936 6.998 -0.723 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.632 5.053 -1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.328 4.746 -1.895 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.070 4.772 -3.153 1.00 0.00 H new ATOM 892 N ARG A 65 -4.479 5.411 -3.113 1.00 0.00 N ATOM 893 CA ARG A 65 -5.800 4.976 -2.692 1.00 0.00 C ATOM 894 C ARG A 65 -5.723 3.589 -2.050 1.00 0.00 C ATOM 895 O ARG A 65 -5.093 2.684 -2.594 1.00 0.00 O ATOM 896 CB ARG A 65 -6.768 4.929 -3.877 1.00 0.00 C ATOM 897 CG ARG A 65 -6.954 6.319 -4.488 1.00 0.00 C ATOM 898 CD ARG A 65 -7.648 6.230 -5.849 1.00 0.00 C ATOM 899 NE ARG A 65 -7.881 7.589 -6.388 1.00 0.00 N ATOM 900 CZ ARG A 65 -8.323 7.840 -7.627 1.00 0.00 C ATOM 901 NH1 ARG A 65 -8.584 6.826 -8.464 1.00 0.00 N ATOM 902 NH2 ARG A 65 -8.505 9.105 -8.031 1.00 0.00 N ATOM 0 H ARG A 65 -3.892 4.675 -3.507 1.00 0.00 H new ATOM 0 HA ARG A 65 -6.170 5.697 -1.963 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.389 4.243 -4.634 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.732 4.540 -3.549 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -7.544 6.940 -3.815 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.984 6.803 -4.601 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -7.034 5.655 -6.542 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.596 5.702 -5.749 1.00 0.00 H new ATOM 0 HE ARG A 65 -7.693 8.384 -5.777 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.446 5.863 -8.157 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.921 7.017 -9.408 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.307 9.877 -7.395 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.842 9.296 -8.975 1.00 0.00 H new ATOM 916 N VAL A 66 -6.372 3.467 -0.902 1.00 0.00 N ATOM 917 CA VAL A 66 -6.385 2.206 -0.180 1.00 0.00 C ATOM 918 C VAL A 66 -6.818 1.085 -1.128 1.00 0.00 C ATOM 919 O VAL A 66 -7.730 1.265 -1.932 1.00 0.00 O ATOM 920 CB VAL A 66 -7.277 2.320 1.058 1.00 0.00 C ATOM 921 CG1 VAL A 66 -7.454 0.959 1.734 1.00 0.00 C ATOM 922 CG2 VAL A 66 -6.722 3.353 2.040 1.00 0.00 C ATOM 0 H VAL A 66 -6.893 4.221 -0.454 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.385 1.961 0.178 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.260 2.662 0.733 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.092 1.069 2.611 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.916 0.262 1.034 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.481 0.575 2.039 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.375 3.414 2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.722 3.054 2.356 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.673 4.327 1.554 1.00 0.00 H new ATOM 932 N GLY A 67 -6.142 -0.048 -1.000 1.00 0.00 N ATOM 933 CA GLY A 67 -6.445 -1.198 -1.835 1.00 0.00 C ATOM 934 C GLY A 67 -5.361 -1.407 -2.894 1.00 0.00 C ATOM 935 O GLY A 67 -5.162 -2.523 -3.372 1.00 0.00 O ATOM 0 H GLY A 67 -5.386 -0.194 -0.331 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.529 -2.090 -1.215 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.410 -1.055 -2.321 1.00 0.00 H new ATOM 939 N ASP A 68 -4.689 -0.316 -3.231 1.00 0.00 N ATOM 940 CA ASP A 68 -3.630 -0.366 -4.225 1.00 0.00 C ATOM 941 C ASP A 68 -2.642 -1.474 -3.855 1.00 0.00 C ATOM 942 O ASP A 68 -2.308 -1.648 -2.684 1.00 0.00 O ATOM 943 CB ASP A 68 -2.861 0.955 -4.277 1.00 0.00 C ATOM 944 CG ASP A 68 -2.835 1.634 -5.648 1.00 0.00 C ATOM 945 OD1 ASP A 68 -3.136 0.930 -6.636 1.00 0.00 O ATOM 946 OD2 ASP A 68 -2.514 2.842 -5.677 1.00 0.00 O ATOM 0 H ASP A 68 -4.857 0.608 -2.833 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.087 -0.555 -5.196 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.302 1.643 -3.556 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.834 0.773 -3.959 1.00 0.00 H new ATOM 951 N LYS A 69 -2.201 -2.195 -4.876 1.00 0.00 N ATOM 952 CA LYS A 69 -1.257 -3.281 -4.674 1.00 0.00 C ATOM 953 C LYS A 69 0.136 -2.831 -5.119 1.00 0.00 C ATOM 954 O LYS A 69 0.477 -2.931 -6.297 1.00 0.00 O ATOM 955 CB LYS A 69 -1.745 -4.552 -5.372 1.00 0.00 C ATOM 956 CG LYS A 69 -0.649 -5.619 -5.398 1.00 0.00 C ATOM 957 CD LYS A 69 -1.040 -6.784 -6.309 1.00 0.00 C ATOM 958 CE LYS A 69 -0.070 -7.957 -6.145 1.00 0.00 C ATOM 959 NZ LYS A 69 1.309 -7.540 -6.484 1.00 0.00 N ATOM 0 H LYS A 69 -2.480 -2.048 -5.846 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.188 -3.533 -3.616 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.623 -4.940 -4.856 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.052 -4.316 -6.391 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.285 -5.178 -5.746 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.470 -5.987 -4.388 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.053 -7.110 -6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.044 -6.453 -7.348 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.104 -8.324 -5.119 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.375 -8.782 -6.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.962 -8.333 -6.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.351 -7.260 -7.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.585 -6.734 -5.887 1.00 0.00 H new ATOM 973 N LEU A 70 0.902 -2.344 -4.154 1.00 0.00 N ATOM 974 CA LEU A 70 2.250 -1.878 -4.433 1.00 0.00 C ATOM 975 C LEU A 70 3.013 -2.963 -5.196 1.00 0.00 C ATOM 976 O LEU A 70 2.754 -4.152 -5.015 1.00 0.00 O ATOM 977 CB LEU A 70 2.940 -1.433 -3.142 1.00 0.00 C ATOM 978 CG LEU A 70 4.065 -0.408 -3.302 1.00 0.00 C ATOM 979 CD1 LEU A 70 4.114 0.543 -2.104 1.00 0.00 C ATOM 980 CD2 LEU A 70 5.409 -1.101 -3.539 1.00 0.00 C ATOM 0 H LEU A 70 0.615 -2.262 -3.179 1.00 0.00 H new ATOM 0 HA LEU A 70 2.224 -0.997 -5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.186 -1.014 -2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.347 -2.315 -2.648 1.00 0.00 H new ATOM 0 HG LEU A 70 3.854 0.196 -4.185 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.922 1.261 -2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.166 1.075 -2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.289 -0.029 -1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.191 -0.350 -3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.641 -1.745 -2.691 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.353 -1.703 -4.446 1.00 0.00 H new ATOM 992 N LEU A 71 3.937 -2.515 -6.032 1.00 0.00 N ATOM 993 CA LEU A 71 4.739 -3.433 -6.823 1.00 0.00 C ATOM 994 C LEU A 71 6.215 -3.051 -6.699 1.00 0.00 C ATOM 995 O LEU A 71 7.075 -3.919 -6.559 1.00 0.00 O ATOM 996 CB LEU A 71 4.235 -3.477 -8.267 1.00 0.00 C ATOM 997 CG LEU A 71 2.716 -3.498 -8.447 1.00 0.00 C ATOM 998 CD1 LEU A 71 2.329 -3.161 -9.888 1.00 0.00 C ATOM 999 CD2 LEU A 71 2.129 -4.837 -7.995 1.00 0.00 C ATOM 0 H LEU A 71 4.149 -1.528 -6.179 1.00 0.00 H new ATOM 0 HA LEU A 71 4.639 -4.450 -6.443 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.632 -2.610 -8.796 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.650 -4.362 -8.749 1.00 0.00 H new ATOM 0 HG LEU A 71 2.286 -2.725 -7.809 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.244 -3.183 -9.988 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.697 -2.166 -10.140 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.771 -3.893 -10.564 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.048 -4.826 -8.133 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.562 -5.643 -8.588 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.358 -4.998 -6.942 1.00 0.00 H new ATOM 1011 N GLU A 72 6.464 -1.751 -6.754 1.00 0.00 N ATOM 1012 CA GLU A 72 7.821 -1.243 -6.649 1.00 0.00 C ATOM 1013 C GLU A 72 7.860 -0.016 -5.737 1.00 0.00 C ATOM 1014 O GLU A 72 6.858 0.682 -5.585 1.00 0.00 O ATOM 1015 CB GLU A 72 8.394 -0.918 -8.030 1.00 0.00 C ATOM 1016 CG GLU A 72 9.433 -1.958 -8.452 1.00 0.00 C ATOM 1017 CD GLU A 72 8.777 -3.111 -9.215 1.00 0.00 C ATOM 1018 OE1 GLU A 72 8.660 -2.979 -10.452 1.00 0.00 O ATOM 1019 OE2 GLU A 72 8.407 -4.098 -8.543 1.00 0.00 O ATOM 0 H GLU A 72 5.748 -1.034 -6.870 1.00 0.00 H new ATOM 0 HA GLU A 72 8.445 -2.020 -6.207 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.588 -0.886 -8.763 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.851 0.072 -8.014 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.190 -1.487 -9.079 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.944 -2.345 -7.570 1.00 0.00 H new ATOM 1026 N VAL A 73 9.028 0.211 -5.152 1.00 0.00 N ATOM 1027 CA VAL A 73 9.210 1.342 -4.258 1.00 0.00 C ATOM 1028 C VAL A 73 10.628 1.893 -4.423 1.00 0.00 C ATOM 1029 O VAL A 73 11.582 1.330 -3.889 1.00 0.00 O ATOM 1030 CB VAL A 73 8.893 0.928 -2.820 1.00 0.00 C ATOM 1031 CG1 VAL A 73 9.769 1.691 -1.824 1.00 0.00 C ATOM 1032 CG2 VAL A 73 7.408 1.126 -2.507 1.00 0.00 C ATOM 0 H VAL A 73 9.857 -0.369 -5.280 1.00 0.00 H new ATOM 0 HA VAL A 73 8.518 2.145 -4.511 1.00 0.00 H new ATOM 0 HB VAL A 73 9.118 -0.134 -2.720 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.523 1.378 -0.809 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.819 1.478 -2.025 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.590 2.761 -1.927 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.210 0.824 -1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.146 2.177 -2.634 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.809 0.519 -3.185 1.00 0.00 H new ATOM 1042 N ASN A 74 10.720 2.987 -5.165 1.00 0.00 N ATOM 1043 CA ASN A 74 12.005 3.620 -5.407 1.00 0.00 C ATOM 1044 C ASN A 74 12.781 2.809 -6.447 1.00 0.00 C ATOM 1045 O ASN A 74 13.946 3.095 -6.720 1.00 0.00 O ATOM 1046 CB ASN A 74 12.843 3.673 -4.128 1.00 0.00 C ATOM 1047 CG ASN A 74 13.348 5.092 -3.861 1.00 0.00 C ATOM 1048 OD1 ASN A 74 14.369 5.522 -4.372 1.00 0.00 O ATOM 1049 ND2 ASN A 74 12.578 5.793 -3.034 1.00 0.00 N ATOM 0 H ASN A 74 9.926 3.451 -5.606 1.00 0.00 H new ATOM 0 HA ASN A 74 11.819 4.635 -5.759 1.00 0.00 H new ATOM 0 HB2 ASN A 74 12.245 3.331 -3.283 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.690 2.992 -4.216 1.00 0.00 H new ATOM 0 HD21 ASN A 74 12.829 6.752 -2.793 1.00 0.00 H new ATOM 0 HD22 ASN A 74 11.736 5.372 -2.641 1.00 0.00 H new ATOM 1056 N GLY A 75 12.104 1.813 -7.000 1.00 0.00 N ATOM 1057 CA GLY A 75 12.715 0.959 -8.004 1.00 0.00 C ATOM 1058 C GLY A 75 12.865 -0.473 -7.487 1.00 0.00 C ATOM 1059 O GLY A 75 13.021 -1.407 -8.272 1.00 0.00 O ATOM 0 H GLY A 75 11.138 1.579 -6.771 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.106 0.961 -8.908 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.693 1.355 -8.277 1.00 0.00 H new ATOM 1063 N VAL A 76 12.814 -0.601 -6.169 1.00 0.00 N ATOM 1064 CA VAL A 76 12.942 -1.904 -5.539 1.00 0.00 C ATOM 1065 C VAL A 76 11.655 -2.701 -5.757 1.00 0.00 C ATOM 1066 O VAL A 76 10.561 -2.205 -5.491 1.00 0.00 O ATOM 1067 CB VAL A 76 13.298 -1.737 -4.060 1.00 0.00 C ATOM 1068 CG1 VAL A 76 12.124 -1.146 -3.277 1.00 0.00 C ATOM 1069 CG2 VAL A 76 13.750 -3.065 -3.451 1.00 0.00 C ATOM 0 H VAL A 76 12.686 0.176 -5.521 1.00 0.00 H new ATOM 0 HA VAL A 76 13.755 -2.470 -5.994 1.00 0.00 H new ATOM 0 HB VAL A 76 14.131 -1.038 -3.993 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.403 -1.038 -2.229 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.868 -0.169 -3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.263 -1.810 -3.356 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.997 -2.918 -2.400 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.946 -3.797 -3.536 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.629 -3.429 -3.983 1.00 0.00 H new ATOM 1079 N ALA A 77 11.828 -3.923 -6.240 1.00 0.00 N ATOM 1080 CA ALA A 77 10.693 -4.794 -6.497 1.00 0.00 C ATOM 1081 C ALA A 77 10.168 -5.345 -5.170 1.00 0.00 C ATOM 1082 O ALA A 77 10.895 -6.020 -4.443 1.00 0.00 O ATOM 1083 CB ALA A 77 11.110 -5.902 -7.465 1.00 0.00 C ATOM 0 H ALA A 77 12.737 -4.330 -6.460 1.00 0.00 H new ATOM 0 HA ALA A 77 9.881 -4.239 -6.967 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.259 -6.556 -7.658 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.447 -5.459 -8.402 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.921 -6.483 -7.026 1.00 0.00 H new ATOM 1089 N LEU A 78 8.909 -5.037 -4.895 1.00 0.00 N ATOM 1090 CA LEU A 78 8.278 -5.494 -3.668 1.00 0.00 C ATOM 1091 C LEU A 78 7.165 -6.486 -4.011 1.00 0.00 C ATOM 1092 O LEU A 78 6.066 -6.405 -3.464 1.00 0.00 O ATOM 1093 CB LEU A 78 7.804 -4.302 -2.834 1.00 0.00 C ATOM 1094 CG LEU A 78 8.899 -3.364 -2.321 1.00 0.00 C ATOM 1095 CD1 LEU A 78 8.340 -2.380 -1.292 1.00 0.00 C ATOM 1096 CD2 LEU A 78 10.086 -4.157 -1.770 1.00 0.00 C ATOM 0 H LEU A 78 8.309 -4.477 -5.500 1.00 0.00 H new ATOM 0 HA LEU A 78 8.997 -6.025 -3.044 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.106 -3.719 -3.434 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.248 -4.682 -1.977 1.00 0.00 H new ATOM 0 HG LEU A 78 9.267 -2.776 -3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.139 -1.725 -0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.554 -1.781 -1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.929 -2.932 -0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.850 -3.467 -1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.751 -4.787 -0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.503 -4.783 -2.559 1.00 0.00 H new ATOM 1108 N GLN A 79 7.488 -7.399 -4.915 1.00 0.00 N ATOM 1109 CA GLN A 79 6.529 -8.406 -5.337 1.00 0.00 C ATOM 1110 C GLN A 79 6.691 -9.677 -4.502 1.00 0.00 C ATOM 1111 O GLN A 79 7.638 -10.437 -4.698 1.00 0.00 O ATOM 1112 CB GLN A 79 6.673 -8.709 -6.830 1.00 0.00 C ATOM 1113 CG GLN A 79 5.305 -8.915 -7.483 1.00 0.00 C ATOM 1114 CD GLN A 79 5.416 -9.811 -8.718 1.00 0.00 C ATOM 1115 OE1 GLN A 79 6.403 -10.494 -8.935 1.00 0.00 O ATOM 1116 NE2 GLN A 79 4.351 -9.770 -9.513 1.00 0.00 N ATOM 0 H GLN A 79 8.400 -7.463 -5.367 1.00 0.00 H new ATOM 0 HA GLN A 79 5.525 -8.014 -5.174 1.00 0.00 H new ATOM 0 HB2 GLN A 79 7.195 -7.888 -7.322 1.00 0.00 H new ATOM 0 HB3 GLN A 79 7.283 -9.602 -6.966 1.00 0.00 H new ATOM 0 HG2 GLN A 79 4.619 -9.364 -6.764 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.884 -7.950 -7.766 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.557 -9.176 -9.272 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.328 -10.332 -10.364 1.00 0.00 H new ATOM 1125 N GLY A 80 5.752 -9.870 -3.587 1.00 0.00 N ATOM 1126 CA GLY A 80 5.780 -11.036 -2.720 1.00 0.00 C ATOM 1127 C GLY A 80 6.977 -10.985 -1.770 1.00 0.00 C ATOM 1128 O GLY A 80 7.557 -12.019 -1.441 1.00 0.00 O ATOM 0 H GLY A 80 4.967 -9.238 -3.427 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.856 -11.087 -2.144 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.829 -11.942 -3.324 1.00 0.00 H new ATOM 1132 N ALA A 81 7.313 -9.772 -1.356 1.00 0.00 N ATOM 1133 CA ALA A 81 8.431 -9.573 -0.450 1.00 0.00 C ATOM 1134 C ALA A 81 7.924 -9.600 0.993 1.00 0.00 C ATOM 1135 O ALA A 81 6.719 -9.541 1.232 1.00 0.00 O ATOM 1136 CB ALA A 81 9.141 -8.262 -0.795 1.00 0.00 C ATOM 0 H ALA A 81 6.830 -8.917 -1.632 1.00 0.00 H new ATOM 0 HA ALA A 81 9.160 -10.376 -0.558 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.980 -8.113 -0.115 1.00 0.00 H new ATOM 0 HB2 ALA A 81 9.508 -8.306 -1.820 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.441 -7.432 -0.696 1.00 0.00 H new ATOM 1142 N GLU A 82 8.869 -9.688 1.917 1.00 0.00 N ATOM 1143 CA GLU A 82 8.533 -9.723 3.331 1.00 0.00 C ATOM 1144 C GLU A 82 8.147 -8.326 3.819 1.00 0.00 C ATOM 1145 O GLU A 82 8.643 -7.325 3.303 1.00 0.00 O ATOM 1146 CB GLU A 82 9.689 -10.293 4.155 1.00 0.00 C ATOM 1147 CG GLU A 82 9.513 -11.796 4.381 1.00 0.00 C ATOM 1148 CD GLU A 82 8.651 -12.067 5.616 1.00 0.00 C ATOM 1149 OE1 GLU A 82 8.995 -11.512 6.682 1.00 0.00 O ATOM 1150 OE2 GLU A 82 7.667 -12.824 5.466 1.00 0.00 O ATOM 0 H GLU A 82 9.868 -9.736 1.715 1.00 0.00 H new ATOM 0 HA GLU A 82 7.676 -10.383 3.465 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.632 -10.107 3.642 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.742 -9.781 5.116 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.050 -12.248 3.504 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.489 -12.266 4.504 1.00 0.00 H new ATOM 1157 N HIS A 83 7.266 -8.302 4.809 1.00 0.00 N ATOM 1158 CA HIS A 83 6.808 -7.044 5.373 1.00 0.00 C ATOM 1159 C HIS A 83 8.014 -6.173 5.732 1.00 0.00 C ATOM 1160 O HIS A 83 7.971 -4.954 5.579 1.00 0.00 O ATOM 1161 CB HIS A 83 5.877 -7.288 6.562 1.00 0.00 C ATOM 1162 CG HIS A 83 4.853 -6.200 6.774 1.00 0.00 C ATOM 1163 ND1 HIS A 83 3.740 -6.050 5.965 1.00 0.00 N ATOM 1164 CD2 HIS A 83 4.783 -5.211 7.711 1.00 0.00 C ATOM 1165 CE1 HIS A 83 3.040 -5.014 6.404 1.00 0.00 C ATOM 1166 NE2 HIS A 83 3.688 -4.495 7.486 1.00 0.00 N ATOM 0 H HIS A 83 6.857 -9.134 5.235 1.00 0.00 H new ATOM 0 HA HIS A 83 6.220 -6.502 4.632 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.360 -8.236 6.416 1.00 0.00 H new ATOM 0 HB3 HIS A 83 6.478 -7.388 7.466 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.498 -5.039 8.502 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.118 -4.645 5.979 1.00 0.00 H new ATOM 0 HE2 HIS A 83 3.382 -3.690 8.032 1.00 0.00 H new ATOM 1174 N HIS A 84 9.061 -6.835 6.204 1.00 0.00 N ATOM 1175 CA HIS A 84 10.276 -6.137 6.587 1.00 0.00 C ATOM 1176 C HIS A 84 10.916 -5.503 5.349 1.00 0.00 C ATOM 1177 O HIS A 84 11.346 -4.352 5.389 1.00 0.00 O ATOM 1178 CB HIS A 84 11.229 -7.073 7.332 1.00 0.00 C ATOM 1179 CG HIS A 84 11.852 -8.137 6.460 1.00 0.00 C ATOM 1180 ND1 HIS A 84 11.561 -9.483 6.595 1.00 0.00 N ATOM 1181 CD2 HIS A 84 12.754 -8.038 5.441 1.00 0.00 C ATOM 1182 CE1 HIS A 84 12.261 -10.155 5.693 1.00 0.00 C ATOM 1183 NE2 HIS A 84 13.000 -9.258 4.979 1.00 0.00 N ATOM 0 H HIS A 84 9.092 -7.847 6.330 1.00 0.00 H new ATOM 0 HA HIS A 84 10.033 -5.332 7.281 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.023 -6.480 7.787 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.686 -7.556 8.145 1.00 0.00 H new ATOM 0 HD1 HIS A 84 10.917 -9.889 7.274 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.193 -7.123 5.073 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.249 -11.225 5.548 1.00 0.00 H new ATOM 1191 N GLU A 85 10.957 -6.283 4.279 1.00 0.00 N ATOM 1192 CA GLU A 85 11.537 -5.813 3.033 1.00 0.00 C ATOM 1193 C GLU A 85 10.801 -4.564 2.543 1.00 0.00 C ATOM 1194 O GLU A 85 11.429 -3.598 2.113 1.00 0.00 O ATOM 1195 CB GLU A 85 11.517 -6.913 1.970 1.00 0.00 C ATOM 1196 CG GLU A 85 12.491 -8.038 2.326 1.00 0.00 C ATOM 1197 CD GLU A 85 13.279 -8.492 1.096 1.00 0.00 C ATOM 1198 OE1 GLU A 85 14.170 -7.721 0.677 1.00 0.00 O ATOM 1199 OE2 GLU A 85 12.974 -9.599 0.603 1.00 0.00 O ATOM 0 H GLU A 85 10.598 -7.237 4.249 1.00 0.00 H new ATOM 0 HA GLU A 85 12.579 -5.549 3.216 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.508 -7.316 1.878 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.782 -6.491 1.000 1.00 0.00 H new ATOM 0 HG2 GLU A 85 13.180 -7.696 3.098 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.941 -8.882 2.741 1.00 0.00 H new ATOM 1206 N ALA A 86 9.480 -4.624 2.625 1.00 0.00 N ATOM 1207 CA ALA A 86 8.652 -3.510 2.195 1.00 0.00 C ATOM 1208 C ALA A 86 8.967 -2.285 3.056 1.00 0.00 C ATOM 1209 O ALA A 86 9.315 -1.227 2.533 1.00 0.00 O ATOM 1210 CB ALA A 86 7.178 -3.911 2.270 1.00 0.00 C ATOM 0 H ALA A 86 8.962 -5.427 2.983 1.00 0.00 H new ATOM 0 HA ALA A 86 8.867 -3.249 1.159 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.557 -3.075 1.947 1.00 0.00 H new ATOM 0 HB2 ALA A 86 7.000 -4.767 1.620 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.925 -4.176 3.296 1.00 0.00 H new ATOM 1216 N VAL A 87 8.835 -2.469 4.361 1.00 0.00 N ATOM 1217 CA VAL A 87 9.101 -1.391 5.299 1.00 0.00 C ATOM 1218 C VAL A 87 10.470 -0.780 4.993 1.00 0.00 C ATOM 1219 O VAL A 87 10.578 0.423 4.761 1.00 0.00 O ATOM 1220 CB VAL A 87 8.984 -1.907 6.735 1.00 0.00 C ATOM 1221 CG1 VAL A 87 9.507 -0.872 7.734 1.00 0.00 C ATOM 1222 CG2 VAL A 87 7.543 -2.303 7.060 1.00 0.00 C ATOM 0 H VAL A 87 8.547 -3.348 4.791 1.00 0.00 H new ATOM 0 HA VAL A 87 8.360 -0.599 5.191 1.00 0.00 H new ATOM 0 HB VAL A 87 9.604 -2.799 6.822 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.412 -1.264 8.747 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.555 -0.660 7.523 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.926 0.046 7.644 1.00 0.00 H new ATOM 0 HG21 VAL A 87 7.488 -2.666 8.086 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.893 -1.435 6.947 1.00 0.00 H new ATOM 0 HG23 VAL A 87 7.220 -3.090 6.379 1.00 0.00 H new ATOM 1232 N GLU A 88 11.480 -1.637 5.002 1.00 0.00 N ATOM 1233 CA GLU A 88 12.837 -1.197 4.727 1.00 0.00 C ATOM 1234 C GLU A 88 12.870 -0.334 3.464 1.00 0.00 C ATOM 1235 O GLU A 88 13.372 0.789 3.488 1.00 0.00 O ATOM 1236 CB GLU A 88 13.786 -2.390 4.601 1.00 0.00 C ATOM 1237 CG GLU A 88 15.012 -2.214 5.500 1.00 0.00 C ATOM 1238 CD GLU A 88 16.077 -1.358 4.813 1.00 0.00 C ATOM 1239 OE1 GLU A 88 15.974 -0.118 4.935 1.00 0.00 O ATOM 1240 OE2 GLU A 88 16.970 -1.962 4.181 1.00 0.00 O ATOM 0 H GLU A 88 11.386 -2.634 5.195 1.00 0.00 H new ATOM 0 HA GLU A 88 13.178 -0.591 5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.261 -3.306 4.871 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.104 -2.498 3.564 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.715 -1.747 6.439 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.429 -3.190 5.748 1.00 0.00 H new ATOM 1247 N ALA A 89 12.329 -0.892 2.391 1.00 0.00 N ATOM 1248 CA ALA A 89 12.290 -0.187 1.121 1.00 0.00 C ATOM 1249 C ALA A 89 11.682 1.201 1.330 1.00 0.00 C ATOM 1250 O ALA A 89 12.282 2.208 0.959 1.00 0.00 O ATOM 1251 CB ALA A 89 11.510 -1.018 0.100 1.00 0.00 C ATOM 0 H ALA A 89 11.914 -1.824 2.375 1.00 0.00 H new ATOM 0 HA ALA A 89 13.297 -0.049 0.728 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.480 -0.490 -0.853 1.00 0.00 H new ATOM 0 HB2 ALA A 89 12.000 -1.982 -0.035 1.00 0.00 H new ATOM 0 HB3 ALA A 89 10.493 -1.175 0.459 1.00 0.00 H new ATOM 1257 N LEU A 90 10.498 1.209 1.925 1.00 0.00 N ATOM 1258 CA LEU A 90 9.801 2.456 2.189 1.00 0.00 C ATOM 1259 C LEU A 90 10.750 3.426 2.896 1.00 0.00 C ATOM 1260 O LEU A 90 10.953 4.548 2.435 1.00 0.00 O ATOM 1261 CB LEU A 90 8.505 2.194 2.958 1.00 0.00 C ATOM 1262 CG LEU A 90 7.295 1.787 2.115 1.00 0.00 C ATOM 1263 CD1 LEU A 90 6.143 1.311 3.002 1.00 0.00 C ATOM 1264 CD2 LEU A 90 6.869 2.923 1.183 1.00 0.00 C ATOM 0 H LEU A 90 10.004 0.371 2.232 1.00 0.00 H new ATOM 0 HA LEU A 90 9.499 2.928 1.254 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.693 1.409 3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.248 3.095 3.515 1.00 0.00 H new ATOM 0 HG LEU A 90 7.585 0.946 1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.296 1.028 2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.466 0.450 3.587 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.845 2.116 3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.007 2.607 0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.604 3.799 1.775 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.692 3.173 0.514 1.00 0.00 H new ATOM 1276 N ARG A 91 11.307 2.957 4.003 1.00 0.00 N ATOM 1277 CA ARG A 91 12.230 3.769 4.778 1.00 0.00 C ATOM 1278 C ARG A 91 13.303 4.369 3.867 1.00 0.00 C ATOM 1279 O ARG A 91 13.644 5.544 3.995 1.00 0.00 O ATOM 1280 CB ARG A 91 12.906 2.941 5.873 1.00 0.00 C ATOM 1281 CG ARG A 91 11.882 2.448 6.898 1.00 0.00 C ATOM 1282 CD ARG A 91 12.495 2.387 8.298 1.00 0.00 C ATOM 1283 NE ARG A 91 12.226 3.649 9.023 1.00 0.00 N ATOM 1284 CZ ARG A 91 12.807 3.989 10.182 1.00 0.00 C ATOM 1285 NH1 ARG A 91 13.694 3.162 10.754 1.00 0.00 N ATOM 1286 NH2 ARG A 91 12.503 5.154 10.768 1.00 0.00 N ATOM 0 H ARG A 91 11.137 2.025 4.382 1.00 0.00 H new ATOM 0 HA ARG A 91 11.656 4.569 5.245 1.00 0.00 H new ATOM 0 HB2 ARG A 91 13.418 2.089 5.426 1.00 0.00 H new ATOM 0 HB3 ARG A 91 13.665 3.543 6.373 1.00 0.00 H new ATOM 0 HG2 ARG A 91 11.018 3.113 6.904 1.00 0.00 H new ATOM 0 HG3 ARG A 91 11.522 1.460 6.611 1.00 0.00 H new ATOM 0 HD2 ARG A 91 12.078 1.545 8.850 1.00 0.00 H new ATOM 0 HD3 ARG A 91 13.570 2.221 8.227 1.00 0.00 H new ATOM 0 HE ARG A 91 11.556 4.301 8.615 1.00 0.00 H new ATOM 0 HH11 ARG A 91 13.926 2.275 10.307 1.00 0.00 H new ATOM 0 HH12 ARG A 91 14.137 3.420 11.636 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.829 5.783 10.332 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.946 5.412 11.650 1.00 0.00 H new ATOM 1300 N GLY A 92 13.804 3.535 2.967 1.00 0.00 N ATOM 1301 CA GLY A 92 14.831 3.969 2.035 1.00 0.00 C ATOM 1302 C GLY A 92 14.213 4.685 0.832 1.00 0.00 C ATOM 1303 O GLY A 92 13.859 4.048 -0.159 1.00 0.00 O ATOM 0 H GLY A 92 13.518 2.561 2.864 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.528 4.637 2.541 1.00 0.00 H new ATOM 0 HA3 GLY A 92 15.405 3.108 1.694 1.00 0.00 H new ATOM 1307 N ALA A 93 14.101 5.999 0.959 1.00 0.00 N ATOM 1308 CA ALA A 93 13.532 6.808 -0.105 1.00 0.00 C ATOM 1309 C ALA A 93 13.759 8.288 0.208 1.00 0.00 C ATOM 1310 O ALA A 93 13.528 8.731 1.332 1.00 0.00 O ATOM 1311 CB ALA A 93 12.049 6.467 -0.269 1.00 0.00 C ATOM 0 H ALA A 93 14.395 6.524 1.783 1.00 0.00 H new ATOM 0 HA ALA A 93 14.023 6.593 -1.054 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.622 7.074 -1.067 1.00 0.00 H new ATOM 0 HB2 ALA A 93 11.944 5.412 -0.520 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.523 6.672 0.663 1.00 0.00 H new ATOM 1317 N GLY A 94 14.208 9.013 -0.806 1.00 0.00 N ATOM 1318 CA GLY A 94 14.468 10.434 -0.653 1.00 0.00 C ATOM 1319 C GLY A 94 13.176 11.245 -0.777 1.00 0.00 C ATOM 1320 O GLY A 94 12.082 10.699 -0.643 1.00 0.00 O ATOM 0 H GLY A 94 14.398 8.643 -1.737 1.00 0.00 H new ATOM 0 HA2 GLY A 94 14.927 10.621 0.318 1.00 0.00 H new ATOM 0 HA3 GLY A 94 15.181 10.760 -1.410 1.00 0.00 H new ATOM 1324 N THR A 95 13.346 12.534 -1.032 1.00 0.00 N ATOM 1325 CA THR A 95 12.208 13.425 -1.176 1.00 0.00 C ATOM 1326 C THR A 95 11.131 12.778 -2.050 1.00 0.00 C ATOM 1327 O THR A 95 10.114 12.309 -1.542 1.00 0.00 O ATOM 1328 CB THR A 95 12.717 14.758 -1.726 1.00 0.00 C ATOM 1329 OG1 THR A 95 13.696 15.174 -0.778 1.00 0.00 O ATOM 1330 CG2 THR A 95 11.655 15.858 -1.672 1.00 0.00 C ATOM 0 H THR A 95 14.255 12.983 -1.143 1.00 0.00 H new ATOM 0 HA THR A 95 11.731 13.615 -0.215 1.00 0.00 H new ATOM 0 HB THR A 95 13.047 14.623 -2.756 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.079 16.031 -1.058 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.068 16.783 -2.074 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.791 15.559 -2.265 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.348 16.017 -0.638 1.00 0.00 H new ATOM 1338 N ALA A 96 11.393 12.773 -3.348 1.00 0.00 N ATOM 1339 CA ALA A 96 10.459 12.192 -4.298 1.00 0.00 C ATOM 1340 C ALA A 96 10.525 10.666 -4.202 1.00 0.00 C ATOM 1341 O ALA A 96 11.487 10.053 -4.662 1.00 0.00 O ATOM 1342 CB ALA A 96 10.777 12.702 -5.705 1.00 0.00 C ATOM 0 H ALA A 96 12.239 13.162 -3.765 1.00 0.00 H new ATOM 0 HA ALA A 96 9.438 12.494 -4.066 1.00 0.00 H new ATOM 0 HB1 ALA A 96 10.076 12.266 -6.417 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.688 13.788 -5.727 1.00 0.00 H new ATOM 0 HB3 ALA A 96 11.794 12.416 -5.975 1.00 0.00 H new ATOM 1348 N VAL A 97 9.490 10.098 -3.601 1.00 0.00 N ATOM 1349 CA VAL A 97 9.418 8.656 -3.439 1.00 0.00 C ATOM 1350 C VAL A 97 8.467 8.076 -4.488 1.00 0.00 C ATOM 1351 O VAL A 97 7.273 8.372 -4.481 1.00 0.00 O ATOM 1352 CB VAL A 97 9.010 8.310 -2.006 1.00 0.00 C ATOM 1353 CG1 VAL A 97 8.741 6.811 -1.859 1.00 0.00 C ATOM 1354 CG2 VAL A 97 10.069 8.778 -1.006 1.00 0.00 C ATOM 0 H VAL A 97 8.694 10.610 -3.220 1.00 0.00 H new ATOM 0 HA VAL A 97 10.396 8.204 -3.602 1.00 0.00 H new ATOM 0 HB VAL A 97 8.083 8.840 -1.785 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.453 6.592 -0.831 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.935 6.518 -2.532 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.643 6.253 -2.109 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.754 8.520 0.005 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.018 8.290 -1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.190 9.858 -1.083 1.00 0.00 H new ATOM 1364 N GLN A 98 9.032 7.259 -5.366 1.00 0.00 N ATOM 1365 CA GLN A 98 8.249 6.635 -6.419 1.00 0.00 C ATOM 1366 C GLN A 98 7.797 5.239 -5.988 1.00 0.00 C ATOM 1367 O GLN A 98 8.582 4.473 -5.430 1.00 0.00 O ATOM 1368 CB GLN A 98 9.040 6.576 -7.728 1.00 0.00 C ATOM 1369 CG GLN A 98 8.170 6.998 -8.913 1.00 0.00 C ATOM 1370 CD GLN A 98 8.916 6.809 -10.236 1.00 0.00 C ATOM 1371 OE1 GLN A 98 9.753 5.935 -10.386 1.00 0.00 O ATOM 1372 NE2 GLN A 98 8.566 7.676 -11.183 1.00 0.00 N ATOM 0 H GLN A 98 10.022 7.015 -5.369 1.00 0.00 H new ATOM 0 HA GLN A 98 7.362 7.244 -6.595 1.00 0.00 H new ATOM 0 HB2 GLN A 98 9.911 7.228 -7.661 1.00 0.00 H new ATOM 0 HB3 GLN A 98 9.412 5.564 -7.887 1.00 0.00 H new ATOM 0 HG2 GLN A 98 7.252 6.411 -8.922 1.00 0.00 H new ATOM 0 HG3 GLN A 98 7.879 8.043 -8.801 1.00 0.00 H new ATOM 0 HE21 GLN A 98 7.857 8.383 -10.990 1.00 0.00 H new ATOM 0 HE22 GLN A 98 9.007 7.633 -12.102 1.00 0.00 H new ATOM 1381 N MET A 99 6.534 4.949 -6.263 1.00 0.00 N ATOM 1382 CA MET A 99 5.968 3.658 -5.910 1.00 0.00 C ATOM 1383 C MET A 99 5.008 3.165 -6.995 1.00 0.00 C ATOM 1384 O MET A 99 4.031 3.839 -7.317 1.00 0.00 O ATOM 1385 CB MET A 99 5.220 3.774 -4.581 1.00 0.00 C ATOM 1386 CG MET A 99 6.190 4.034 -3.426 1.00 0.00 C ATOM 1387 SD MET A 99 5.408 3.639 -1.871 1.00 0.00 S ATOM 1388 CE MET A 99 4.157 4.912 -1.821 1.00 0.00 C ATOM 0 H MET A 99 5.886 5.586 -6.726 1.00 0.00 H new ATOM 0 HA MET A 99 6.782 2.939 -5.817 1.00 0.00 H new ATOM 0 HB2 MET A 99 4.492 4.584 -4.639 1.00 0.00 H new ATOM 0 HB3 MET A 99 4.662 2.857 -4.392 1.00 0.00 H new ATOM 0 HG2 MET A 99 7.090 3.432 -3.553 1.00 0.00 H new ATOM 0 HG3 MET A 99 6.502 5.078 -3.431 1.00 0.00 H new ATOM 0 HE1 MET A 99 4.215 5.442 -0.870 1.00 0.00 H new ATOM 0 HE2 MET A 99 4.320 5.615 -2.638 1.00 0.00 H new ATOM 0 HE3 MET A 99 3.171 4.458 -1.924 1.00 0.00 H new ATOM 1398 N ARG A 100 5.321 1.994 -7.529 1.00 0.00 N ATOM 1399 CA ARG A 100 4.499 1.403 -8.571 1.00 0.00 C ATOM 1400 C ARG A 100 3.384 0.557 -7.952 1.00 0.00 C ATOM 1401 O ARG A 100 3.640 -0.529 -7.433 1.00 0.00 O ATOM 1402 CB ARG A 100 5.337 0.526 -9.503 1.00 0.00 C ATOM 1403 CG ARG A 100 4.581 0.223 -10.798 1.00 0.00 C ATOM 1404 CD ARG A 100 5.411 -0.672 -11.721 1.00 0.00 C ATOM 1405 NE ARG A 100 5.428 -0.109 -13.090 1.00 0.00 N ATOM 1406 CZ ARG A 100 6.259 -0.515 -14.059 1.00 0.00 C ATOM 1407 NH1 ARG A 100 7.146 -1.489 -13.816 1.00 0.00 N ATOM 1408 NH2 ARG A 100 6.204 0.053 -15.271 1.00 0.00 N ATOM 0 H ARG A 100 6.133 1.438 -7.260 1.00 0.00 H new ATOM 0 HA ARG A 100 4.063 2.217 -9.151 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.276 1.029 -9.735 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.591 -0.407 -8.999 1.00 0.00 H new ATOM 0 HG2 ARG A 100 3.635 -0.266 -10.565 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.340 1.155 -11.309 1.00 0.00 H new ATOM 0 HD2 ARG A 100 6.429 -0.756 -11.341 1.00 0.00 H new ATOM 0 HD3 ARG A 100 4.993 -1.678 -11.738 1.00 0.00 H new ATOM 0 HE ARG A 100 4.765 0.635 -13.309 1.00 0.00 H new ATOM 0 HH11 ARG A 100 7.189 -1.921 -12.893 1.00 0.00 H new ATOM 0 HH12 ARG A 100 7.779 -1.798 -14.554 1.00 0.00 H new ATOM 0 HH21 ARG A 100 5.529 0.795 -15.456 1.00 0.00 H new ATOM 0 HH22 ARG A 100 6.837 -0.257 -16.008 1.00 0.00 H new ATOM 1422 N VAL A 101 2.172 1.086 -8.027 1.00 0.00 N ATOM 1423 CA VAL A 101 1.018 0.393 -7.480 1.00 0.00 C ATOM 1424 C VAL A 101 0.249 -0.283 -8.617 1.00 0.00 C ATOM 1425 O VAL A 101 0.279 0.183 -9.755 1.00 0.00 O ATOM 1426 CB VAL A 101 0.157 1.367 -6.672 1.00 0.00 C ATOM 1427 CG1 VAL A 101 0.951 1.964 -5.508 1.00 0.00 C ATOM 1428 CG2 VAL A 101 -0.414 2.467 -7.569 1.00 0.00 C ATOM 0 H VAL A 101 1.964 1.987 -8.458 1.00 0.00 H new ATOM 0 HA VAL A 101 1.334 -0.390 -6.790 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.680 0.808 -6.254 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.316 2.653 -4.950 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.286 1.164 -4.848 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.816 2.501 -5.896 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.022 3.146 -6.971 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.403 3.022 -8.029 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.031 2.018 -8.347 1.00 0.00 H new ATOM 1438 N TRP A 102 -0.423 -1.371 -8.269 1.00 0.00 N ATOM 1439 CA TRP A 102 -1.198 -2.116 -9.246 1.00 0.00 C ATOM 1440 C TRP A 102 -2.678 -1.803 -9.014 1.00 0.00 C ATOM 1441 O TRP A 102 -3.188 -1.984 -7.909 1.00 0.00 O ATOM 1442 CB TRP A 102 -0.885 -3.611 -9.171 1.00 0.00 C ATOM 1443 CG TRP A 102 -1.292 -4.397 -10.419 1.00 0.00 C ATOM 1444 CD1 TRP A 102 -0.952 -4.156 -11.693 1.00 0.00 C ATOM 1445 CD2 TRP A 102 -2.134 -5.568 -10.461 1.00 0.00 C ATOM 1446 NE1 TRP A 102 -1.512 -5.082 -12.549 1.00 0.00 N ATOM 1447 CE2 TRP A 102 -2.254 -5.968 -11.776 1.00 0.00 C ATOM 1448 CE3 TRP A 102 -2.774 -6.266 -9.422 1.00 0.00 C ATOM 1449 CZ2 TRP A 102 -3.007 -7.079 -12.175 1.00 0.00 C ATOM 1450 CZ3 TRP A 102 -3.523 -7.374 -9.837 1.00 0.00 C ATOM 1451 CH2 TRP A 102 -3.653 -7.790 -11.157 1.00 0.00 C ATOM 0 H TRP A 102 -0.447 -1.754 -7.324 1.00 0.00 H new ATOM 0 HA TRP A 102 -0.932 -1.814 -10.259 1.00 0.00 H new ATOM 0 HB2 TRP A 102 0.185 -3.740 -9.006 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -1.394 -4.035 -8.305 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -0.319 -3.340 -12.010 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -1.402 -5.111 -13.563 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -2.694 -5.971 -8.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -3.085 -7.371 -13.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -4.036 -7.946 -9.078 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -4.250 -8.658 -11.396 1.00 0.00 H new ATOM 1462 N ARG A 103 -3.325 -1.338 -10.072 1.00 0.00 N ATOM 1463 CA ARG A 103 -4.736 -0.998 -9.997 1.00 0.00 C ATOM 1464 C ARG A 103 -5.368 -1.045 -11.390 1.00 0.00 C ATOM 1465 O ARG A 103 -4.699 -0.782 -12.388 1.00 0.00 O ATOM 1466 CB ARG A 103 -4.935 0.397 -9.401 1.00 0.00 C ATOM 1467 CG ARG A 103 -6.378 0.870 -9.584 1.00 0.00 C ATOM 1468 CD ARG A 103 -6.534 2.332 -9.160 1.00 0.00 C ATOM 1469 NE ARG A 103 -5.857 2.558 -7.863 1.00 0.00 N ATOM 1470 CZ ARG A 103 -5.416 3.752 -7.444 1.00 0.00 C ATOM 1471 NH1 ARG A 103 -5.580 4.835 -8.215 1.00 0.00 N ATOM 1472 NH2 ARG A 103 -4.813 3.862 -6.252 1.00 0.00 N ATOM 0 H ARG A 103 -2.898 -1.189 -10.986 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.220 -1.730 -9.350 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.685 0.382 -8.340 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -4.254 1.101 -9.879 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -6.672 0.757 -10.628 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -7.047 0.243 -8.995 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -6.109 2.987 -9.920 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -7.591 2.584 -9.077 1.00 0.00 H new ATOM 0 HE ARG A 103 -5.718 1.755 -7.250 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -6.041 4.751 -9.121 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -5.244 5.744 -7.896 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -4.690 3.037 -5.665 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -4.477 4.770 -5.932 1.00 0.00 H new ATOM 1486 N GLU A 104 -6.649 -1.382 -11.412 1.00 0.00 N ATOM 1487 CA GLU A 104 -7.379 -1.466 -12.666 1.00 0.00 C ATOM 1488 C GLU A 104 -7.847 -0.077 -13.103 1.00 0.00 C ATOM 1489 O GLU A 104 -8.416 0.669 -12.307 1.00 0.00 O ATOM 1490 CB GLU A 104 -8.561 -2.431 -12.548 1.00 0.00 C ATOM 1491 CG GLU A 104 -9.331 -2.517 -13.867 1.00 0.00 C ATOM 1492 CD GLU A 104 -10.733 -1.922 -13.722 1.00 0.00 C ATOM 1493 OE1 GLU A 104 -11.633 -2.682 -13.304 1.00 0.00 O ATOM 1494 OE2 GLU A 104 -10.874 -0.719 -14.034 1.00 0.00 O ATOM 0 H GLU A 104 -7.200 -1.600 -10.582 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.707 -1.857 -13.429 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.201 -3.421 -12.268 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.229 -2.098 -11.754 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.785 -1.985 -14.646 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -9.404 -3.558 -14.182 1.00 0.00 H new