USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 542 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 13 THR OG1 : rot -33:sc= 0.187 USER MOD Set 1.2: A 16 GLN : amide:sc= -3.66! K(o=-9.3!,f=-5.4) USER MOD Set 1.3: A 60 CYS SG : rot -170:sc= -5.86! USER MOD Single : A 14 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.049) USER MOD Single : A 25 ASN : amide:sc= 0.532 K(o=0.53,f=-0.062) USER MOD Single : A 26 SER OG : rot 41:sc= -0.0678 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0.0357 USER MOD Single : A 32 MET CE :methyl 154:sc=-0.00191 (180deg=-0.185) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.68! C(o=-1.7!,f=-9.9!) USER MOD Single : A 46 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0362) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -2.63! C(o=-2.6!,f=-3!) USER MOD Single : A 59 LYS NZ :NH3+ 147:sc=-0.00763 (180deg=-0.527) USER MOD Single : A 65 SER OG : rot 178:sc= 1.16 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.0575 X(o=0.058,f=0) USER MOD Single : A 77 THR OG1 : rot 85:sc= 0.00186 USER MOD ----------------------------------------------------------------- ATOM 129 N THR A 13 -17.782 -5.796 -6.610 1.00 0.00 N ATOM 130 CA THR A 13 -17.633 -6.738 -7.711 1.00 0.00 C ATOM 131 C THR A 13 -16.745 -7.912 -7.314 1.00 0.00 C ATOM 132 O THR A 13 -16.207 -7.951 -6.207 1.00 0.00 O ATOM 133 CB THR A 13 -17.036 -6.056 -8.957 1.00 0.00 C ATOM 134 OG1 THR A 13 -15.861 -5.320 -8.597 1.00 0.00 O ATOM 135 CG2 THR A 13 -18.049 -5.122 -9.600 1.00 0.00 C ATOM 0 HA THR A 13 -18.631 -7.105 -7.950 1.00 0.00 H new ATOM 0 HB THR A 13 -16.772 -6.831 -9.677 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.964 -4.962 -7.690 1.00 0.00 H new ATOM 0 HG21 THR A 13 -17.605 -4.652 -10.478 1.00 0.00 H new ATOM 0 HG22 THR A 13 -18.929 -5.691 -9.899 1.00 0.00 H new ATOM 0 HG23 THR A 13 -18.340 -4.353 -8.885 1.00 0.00 H new ATOM 143 N LYS A 14 -16.595 -8.869 -8.224 1.00 0.00 N ATOM 144 CA LYS A 14 -15.771 -10.044 -7.970 1.00 0.00 C ATOM 145 C LYS A 14 -14.321 -9.647 -7.713 1.00 0.00 C ATOM 146 O LYS A 14 -13.745 -10.001 -6.685 1.00 0.00 O ATOM 147 CB LYS A 14 -15.843 -11.009 -9.156 1.00 0.00 C ATOM 148 CG LYS A 14 -17.260 -11.410 -9.528 1.00 0.00 C ATOM 149 CD LYS A 14 -17.840 -12.399 -8.531 1.00 0.00 C ATOM 150 CE LYS A 14 -19.238 -12.841 -8.933 1.00 0.00 C ATOM 151 NZ LYS A 14 -20.223 -11.728 -8.836 1.00 0.00 N ATOM 0 H LYS A 14 -17.034 -8.853 -9.145 1.00 0.00 H new ATOM 0 HA LYS A 14 -16.157 -10.541 -7.080 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -15.367 -10.546 -10.020 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.271 -11.906 -8.919 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -17.891 -10.522 -9.570 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -17.264 -11.852 -10.524 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -17.188 -13.270 -8.460 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -17.872 -11.943 -7.541 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -19.219 -13.220 -9.955 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -19.556 -13.664 -8.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -21.183 -12.100 -8.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -20.164 -11.293 -7.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -20.011 -11.013 -9.561 1.00 0.00 H new ATOM 165 N GLU A 15 -13.739 -8.908 -8.652 1.00 0.00 N ATOM 166 CA GLU A 15 -12.356 -8.463 -8.525 1.00 0.00 C ATOM 167 C GLU A 15 -12.022 -8.135 -7.072 1.00 0.00 C ATOM 168 O GLU A 15 -11.060 -8.660 -6.513 1.00 0.00 O ATOM 169 CB GLU A 15 -12.109 -7.236 -9.406 1.00 0.00 C ATOM 170 CG GLU A 15 -11.616 -7.579 -10.802 1.00 0.00 C ATOM 171 CD GLU A 15 -10.560 -8.667 -10.797 1.00 0.00 C ATOM 172 OE1 GLU A 15 -9.367 -8.335 -10.637 1.00 0.00 O ATOM 173 OE2 GLU A 15 -10.927 -9.850 -10.953 1.00 0.00 O ATOM 0 H GLU A 15 -14.203 -8.605 -9.508 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.708 -9.275 -8.855 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -13.034 -6.665 -9.486 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.377 -6.591 -8.919 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.460 -7.900 -11.413 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.207 -6.683 -11.269 1.00 0.00 H new ATOM 180 N GLN A 16 -12.823 -7.263 -6.469 1.00 0.00 N ATOM 181 CA GLN A 16 -12.612 -6.864 -5.083 1.00 0.00 C ATOM 182 C GLN A 16 -12.540 -8.083 -4.170 1.00 0.00 C ATOM 183 O GLN A 16 -11.529 -8.317 -3.508 1.00 0.00 O ATOM 184 CB GLN A 16 -13.734 -5.932 -4.621 1.00 0.00 C ATOM 185 CG GLN A 16 -13.865 -4.674 -5.464 1.00 0.00 C ATOM 186 CD GLN A 16 -15.024 -3.799 -5.029 1.00 0.00 C ATOM 187 OE1 GLN A 16 -16.127 -3.897 -5.568 1.00 0.00 O ATOM 188 NE2 GLN A 16 -14.781 -2.936 -4.050 1.00 0.00 N ATOM 0 H GLN A 16 -13.624 -6.819 -6.918 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.662 -6.333 -5.026 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -14.679 -6.475 -4.644 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -13.555 -5.648 -3.584 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.939 -4.102 -5.402 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -13.998 -4.954 -6.509 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -13.852 -2.888 -3.631 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -15.523 -2.321 -3.716 1.00 0.00 H new ATOM 197 N ALA A 17 -13.619 -8.858 -4.140 1.00 0.00 N ATOM 198 CA ALA A 17 -13.678 -10.055 -3.310 1.00 0.00 C ATOM 199 C ALA A 17 -12.480 -10.962 -3.570 1.00 0.00 C ATOM 200 O ALA A 17 -11.717 -11.276 -2.656 1.00 0.00 O ATOM 201 CB ALA A 17 -14.976 -10.807 -3.559 1.00 0.00 C ATOM 0 H ALA A 17 -14.465 -8.678 -4.681 1.00 0.00 H new ATOM 0 HA ALA A 17 -13.646 -9.745 -2.266 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -15.006 -11.698 -2.932 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -15.822 -10.164 -3.316 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -15.032 -11.099 -4.608 1.00 0.00 H new ATOM 207 N ASP A 18 -12.322 -11.382 -4.820 1.00 0.00 N ATOM 208 CA ASP A 18 -11.217 -12.254 -5.201 1.00 0.00 C ATOM 209 C ASP A 18 -9.886 -11.688 -4.714 1.00 0.00 C ATOM 210 O ASP A 18 -8.921 -12.426 -4.520 1.00 0.00 O ATOM 211 CB ASP A 18 -11.182 -12.436 -6.719 1.00 0.00 C ATOM 212 CG ASP A 18 -12.077 -13.567 -7.186 1.00 0.00 C ATOM 213 OD1 ASP A 18 -11.784 -14.733 -6.849 1.00 0.00 O ATOM 214 OD2 ASP A 18 -13.070 -13.286 -7.890 1.00 0.00 O ATOM 0 H ASP A 18 -12.946 -11.133 -5.588 1.00 0.00 H new ATOM 0 HA ASP A 18 -11.374 -13.225 -4.730 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.492 -11.509 -7.201 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.158 -12.633 -7.035 1.00 0.00 H new ATOM 219 N ALA A 19 -9.843 -10.374 -4.519 1.00 0.00 N ATOM 220 CA ALA A 19 -8.632 -9.710 -4.054 1.00 0.00 C ATOM 221 C ALA A 19 -8.376 -10.003 -2.580 1.00 0.00 C ATOM 222 O ALA A 19 -7.256 -10.332 -2.188 1.00 0.00 O ATOM 223 CB ALA A 19 -8.731 -8.209 -4.287 1.00 0.00 C ATOM 0 H ALA A 19 -10.633 -9.748 -4.676 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.790 -10.101 -4.626 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.820 -7.725 -3.935 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.858 -8.014 -5.352 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.587 -7.812 -3.741 1.00 0.00 H new ATOM 229 N ILE A 20 -9.421 -9.882 -1.768 1.00 0.00 N ATOM 230 CA ILE A 20 -9.308 -10.135 -0.337 1.00 0.00 C ATOM 231 C ILE A 20 -8.906 -11.580 -0.064 1.00 0.00 C ATOM 232 O ILE A 20 -7.953 -11.842 0.670 1.00 0.00 O ATOM 233 CB ILE A 20 -10.631 -9.835 0.394 1.00 0.00 C ATOM 234 CG1 ILE A 20 -10.987 -8.353 0.261 1.00 0.00 C ATOM 235 CG2 ILE A 20 -10.529 -10.232 1.859 1.00 0.00 C ATOM 236 CD1 ILE A 20 -11.865 -8.047 -0.932 1.00 0.00 C ATOM 0 H ILE A 20 -10.355 -9.611 -2.076 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.534 -9.468 0.041 1.00 0.00 H new ATOM 0 HB ILE A 20 -11.425 -10.423 -0.066 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -11.495 -8.027 1.169 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.068 -7.772 0.184 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -11.471 -10.014 2.362 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -10.317 -11.299 1.933 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.726 -9.668 2.334 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -12.077 -6.978 -0.963 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -11.351 -8.342 -1.847 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -12.800 -8.600 -0.847 1.00 0.00 H new ATOM 248 N ARG A 21 -9.638 -12.515 -0.661 1.00 0.00 N ATOM 249 CA ARG A 21 -9.358 -13.935 -0.483 1.00 0.00 C ATOM 250 C ARG A 21 -7.882 -14.232 -0.731 1.00 0.00 C ATOM 251 O ARG A 21 -7.304 -15.120 -0.105 1.00 0.00 O ATOM 252 CB ARG A 21 -10.224 -14.770 -1.427 1.00 0.00 C ATOM 253 CG ARG A 21 -9.561 -15.060 -2.764 1.00 0.00 C ATOM 254 CD ARG A 21 -10.565 -15.579 -3.782 1.00 0.00 C ATOM 255 NE ARG A 21 -10.741 -17.025 -3.689 1.00 0.00 N ATOM 256 CZ ARG A 21 -11.766 -17.677 -4.229 1.00 0.00 C ATOM 257 NH1 ARG A 21 -12.700 -17.014 -4.897 1.00 0.00 N ATOM 258 NH2 ARG A 21 -11.856 -18.995 -4.102 1.00 0.00 N ATOM 0 H ARG A 21 -10.430 -12.315 -1.272 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.597 -14.201 0.547 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.471 -15.714 -0.941 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -11.164 -14.247 -1.603 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.092 -14.152 -3.144 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.768 -15.795 -2.626 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.525 -15.086 -3.628 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.231 -15.318 -4.786 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.039 -17.565 -3.182 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.633 -16.001 -4.998 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.485 -17.517 -5.310 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.139 -19.508 -3.590 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -12.643 -19.495 -4.516 1.00 0.00 H new ATOM 272 N ARG A 22 -7.279 -13.484 -1.650 1.00 0.00 N ATOM 273 CA ARG A 22 -5.872 -13.669 -1.982 1.00 0.00 C ATOM 274 C ARG A 22 -4.975 -13.036 -0.923 1.00 0.00 C ATOM 275 O ARG A 22 -4.071 -13.684 -0.394 1.00 0.00 O ATOM 276 CB ARG A 22 -5.566 -13.063 -3.353 1.00 0.00 C ATOM 277 CG ARG A 22 -5.810 -14.018 -4.510 1.00 0.00 C ATOM 278 CD ARG A 22 -6.017 -13.269 -5.817 1.00 0.00 C ATOM 279 NE ARG A 22 -4.773 -12.693 -6.321 1.00 0.00 N ATOM 280 CZ ARG A 22 -4.725 -11.657 -7.151 1.00 0.00 C ATOM 281 NH1 ARG A 22 -5.847 -11.086 -7.568 1.00 0.00 N ATOM 282 NH2 ARG A 22 -3.554 -11.190 -7.565 1.00 0.00 N ATOM 0 H ARG A 22 -7.743 -12.745 -2.177 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.670 -14.740 -2.012 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.179 -12.173 -3.492 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.525 -12.739 -3.374 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.962 -14.696 -4.608 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.686 -14.631 -4.298 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.430 -13.948 -6.563 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.750 -12.476 -5.668 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.892 -13.109 -6.019 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.749 -11.442 -7.251 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.808 -10.291 -8.205 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.689 -11.627 -7.246 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.519 -10.394 -8.202 1.00 0.00 H new ATOM 296 N ILE A 23 -5.231 -11.769 -0.618 1.00 0.00 N ATOM 297 CA ILE A 23 -4.448 -11.049 0.378 1.00 0.00 C ATOM 298 C ILE A 23 -4.262 -11.885 1.640 1.00 0.00 C ATOM 299 O ILE A 23 -3.136 -12.125 2.077 1.00 0.00 O ATOM 300 CB ILE A 23 -5.110 -9.711 0.756 1.00 0.00 C ATOM 301 CG1 ILE A 23 -5.112 -8.761 -0.444 1.00 0.00 C ATOM 302 CG2 ILE A 23 -4.389 -9.078 1.937 1.00 0.00 C ATOM 303 CD1 ILE A 23 -5.884 -7.484 -0.202 1.00 0.00 C ATOM 0 H ILE A 23 -5.975 -11.219 -1.047 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.475 -10.849 -0.070 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.143 -9.903 1.046 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.083 -8.511 -0.701 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.539 -9.276 -1.304 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.869 -8.133 2.192 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.434 -9.751 2.794 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.347 -8.896 1.672 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.843 -6.859 -1.094 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.923 -7.724 0.025 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.444 -6.947 0.638 1.00 0.00 H new ATOM 315 N ARG A 24 -5.373 -12.328 2.219 1.00 0.00 N ATOM 316 CA ARG A 24 -5.333 -13.138 3.430 1.00 0.00 C ATOM 317 C ARG A 24 -4.538 -14.421 3.200 1.00 0.00 C ATOM 318 O ARG A 24 -3.998 -15.005 4.138 1.00 0.00 O ATOM 319 CB ARG A 24 -6.752 -13.480 3.888 1.00 0.00 C ATOM 320 CG ARG A 24 -7.541 -14.289 2.872 1.00 0.00 C ATOM 321 CD ARG A 24 -9.039 -14.155 3.096 1.00 0.00 C ATOM 322 NE ARG A 24 -9.770 -15.330 2.629 1.00 0.00 N ATOM 323 CZ ARG A 24 -11.084 -15.477 2.758 1.00 0.00 C ATOM 324 NH1 ARG A 24 -11.807 -14.529 3.337 1.00 0.00 N ATOM 325 NH2 ARG A 24 -11.677 -16.576 2.308 1.00 0.00 N ATOM 0 H ARG A 24 -6.312 -12.139 1.869 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.837 -12.558 4.209 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.698 -14.039 4.822 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.289 -12.556 4.100 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.291 -13.954 1.865 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.254 -15.338 2.939 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.235 -14.005 4.158 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.405 -13.270 2.576 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.243 -16.079 2.179 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.355 -13.684 3.685 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.816 -14.645 3.435 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.124 -17.308 1.863 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.686 -16.688 2.407 1.00 0.00 H new ATOM 339 N ASN A 25 -4.473 -14.853 1.945 1.00 0.00 N ATOM 340 CA ASN A 25 -3.746 -16.067 1.591 1.00 0.00 C ATOM 341 C ASN A 25 -2.503 -15.737 0.770 1.00 0.00 C ATOM 342 O ASN A 25 -1.930 -16.608 0.115 1.00 0.00 O ATOM 343 CB ASN A 25 -4.651 -17.019 0.807 1.00 0.00 C ATOM 344 CG ASN A 25 -5.712 -17.659 1.682 1.00 0.00 C ATOM 345 OD1 ASN A 25 -5.406 -18.251 2.716 1.00 0.00 O ATOM 346 ND2 ASN A 25 -6.969 -17.541 1.268 1.00 0.00 N ATOM 0 H ASN A 25 -4.915 -14.381 1.156 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.431 -16.554 2.514 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.133 -16.473 -0.004 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.043 -17.799 0.348 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.727 -17.950 1.815 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.176 -17.041 0.404 1.00 0.00 H new ATOM 353 N SER A 26 -2.092 -14.474 0.811 1.00 0.00 N ATOM 354 CA SER A 26 -0.919 -14.027 0.068 1.00 0.00 C ATOM 355 C SER A 26 0.364 -14.516 0.733 1.00 0.00 C ATOM 356 O SER A 26 0.539 -14.384 1.944 1.00 0.00 O ATOM 357 CB SER A 26 -0.904 -12.501 -0.034 1.00 0.00 C ATOM 358 OG SER A 26 -1.681 -12.055 -1.132 1.00 0.00 O ATOM 0 H SER A 26 -2.554 -13.742 1.351 1.00 0.00 H new ATOM 0 HA SER A 26 -0.972 -14.450 -0.935 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.291 -12.068 0.889 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.122 -12.151 -0.145 1.00 0.00 H new ATOM 0 HG SER A 26 -2.504 -12.584 -1.187 1.00 0.00 H new ATOM 364 N LYS A 27 1.260 -15.083 -0.069 1.00 0.00 N ATOM 365 CA LYS A 27 2.528 -15.592 0.439 1.00 0.00 C ATOM 366 C LYS A 27 3.337 -14.479 1.098 1.00 0.00 C ATOM 367 O LYS A 27 4.046 -14.710 2.077 1.00 0.00 O ATOM 368 CB LYS A 27 3.339 -16.223 -0.695 1.00 0.00 C ATOM 369 CG LYS A 27 2.593 -17.317 -1.440 1.00 0.00 C ATOM 370 CD LYS A 27 2.711 -18.655 -0.730 1.00 0.00 C ATOM 371 CE LYS A 27 1.639 -19.629 -1.195 1.00 0.00 C ATOM 372 NZ LYS A 27 2.050 -20.359 -2.426 1.00 0.00 N ATOM 0 H LYS A 27 1.131 -15.201 -1.074 1.00 0.00 H new ATOM 0 HA LYS A 27 2.311 -16.352 1.189 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.626 -15.445 -1.402 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.260 -16.637 -0.285 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.542 -17.044 -1.532 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.989 -17.405 -2.452 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.697 -19.081 -0.916 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.626 -18.506 0.346 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.430 -20.345 -0.401 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.713 -19.086 -1.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.293 -21.013 -2.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.225 -19.677 -3.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.919 -20.897 -2.236 1.00 0.00 H new ATOM 386 N ASP A 28 3.224 -13.272 0.555 1.00 0.00 N ATOM 387 CA ASP A 28 3.943 -12.122 1.091 1.00 0.00 C ATOM 388 C ASP A 28 3.364 -10.818 0.550 1.00 0.00 C ATOM 389 O ASP A 28 2.494 -10.828 -0.321 1.00 0.00 O ATOM 390 CB ASP A 28 5.430 -12.216 0.746 1.00 0.00 C ATOM 391 CG ASP A 28 6.196 -13.088 1.721 1.00 0.00 C ATOM 392 OD1 ASP A 28 6.396 -12.655 2.875 1.00 0.00 O ATOM 393 OD2 ASP A 28 6.595 -14.205 1.330 1.00 0.00 O ATOM 0 H ASP A 28 2.641 -13.064 -0.256 1.00 0.00 H new ATOM 0 HA ASP A 28 3.829 -12.127 2.175 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.542 -12.617 -0.261 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.863 -11.216 0.740 1.00 0.00 H new ATOM 398 N SER A 29 3.853 -9.698 1.072 1.00 0.00 N ATOM 399 CA SER A 29 3.380 -8.386 0.644 1.00 0.00 C ATOM 400 C SER A 29 3.378 -8.279 -0.877 1.00 0.00 C ATOM 401 O SER A 29 2.433 -7.762 -1.473 1.00 0.00 O ATOM 402 CB SER A 29 4.258 -7.285 1.243 1.00 0.00 C ATOM 403 OG SER A 29 4.585 -7.571 2.592 1.00 0.00 O ATOM 0 H SER A 29 4.576 -9.672 1.791 1.00 0.00 H new ATOM 0 HA SER A 29 2.358 -8.261 1.001 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.172 -7.185 0.657 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.737 -6.329 1.187 1.00 0.00 H new ATOM 0 HG SER A 29 5.148 -6.854 2.951 1.00 0.00 H new ATOM 409 N TRP A 30 4.443 -8.770 -1.500 1.00 0.00 N ATOM 410 CA TRP A 30 4.565 -8.730 -2.953 1.00 0.00 C ATOM 411 C TRP A 30 3.307 -9.276 -3.620 1.00 0.00 C ATOM 412 O TRP A 30 2.848 -8.742 -4.630 1.00 0.00 O ATOM 413 CB TRP A 30 5.786 -9.533 -3.405 1.00 0.00 C ATOM 414 CG TRP A 30 7.011 -9.263 -2.586 1.00 0.00 C ATOM 415 CD1 TRP A 30 7.784 -10.184 -1.938 1.00 0.00 C ATOM 416 CD2 TRP A 30 7.603 -7.985 -2.325 1.00 0.00 C ATOM 417 NE1 TRP A 30 8.820 -9.556 -1.290 1.00 0.00 N ATOM 418 CE2 TRP A 30 8.733 -8.207 -1.513 1.00 0.00 C ATOM 419 CE3 TRP A 30 7.291 -6.676 -2.700 1.00 0.00 C ATOM 420 CZ2 TRP A 30 9.547 -7.168 -1.070 1.00 0.00 C ATOM 421 CZ3 TRP A 30 8.100 -5.646 -2.259 1.00 0.00 C ATOM 422 CH2 TRP A 30 9.217 -5.896 -1.452 1.00 0.00 C ATOM 0 H TRP A 30 5.235 -9.201 -1.022 1.00 0.00 H new ATOM 0 HA TRP A 30 4.691 -7.690 -3.254 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.551 -10.596 -3.355 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.998 -9.302 -4.449 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.607 -11.249 -1.935 1.00 0.00 H new ATOM 0 HE1 TRP A 30 9.538 -10.019 -0.733 1.00 0.00 H new ATOM 0 HE3 TRP A 30 6.433 -6.473 -3.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 10.408 -7.359 -0.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 7.867 -4.630 -2.542 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.830 -5.069 -1.125 1.00 0.00 H new ATOM 433 N ASP A 31 2.755 -10.341 -3.050 1.00 0.00 N ATOM 434 CA ASP A 31 1.549 -10.958 -3.589 1.00 0.00 C ATOM 435 C ASP A 31 0.340 -10.047 -3.397 1.00 0.00 C ATOM 436 O ASP A 31 -0.475 -9.881 -4.304 1.00 0.00 O ATOM 437 CB ASP A 31 1.297 -12.309 -2.918 1.00 0.00 C ATOM 438 CG ASP A 31 0.643 -13.307 -3.853 1.00 0.00 C ATOM 439 OD1 ASP A 31 -0.058 -12.871 -4.789 1.00 0.00 O ATOM 440 OD2 ASP A 31 0.832 -14.524 -3.648 1.00 0.00 O ATOM 0 H ASP A 31 3.124 -10.795 -2.214 1.00 0.00 H new ATOM 0 HA ASP A 31 1.698 -11.114 -4.657 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.243 -12.716 -2.561 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.662 -12.164 -2.044 1.00 0.00 H new ATOM 445 N MET A 32 0.231 -9.460 -2.210 1.00 0.00 N ATOM 446 CA MET A 32 -0.878 -8.566 -1.899 1.00 0.00 C ATOM 447 C MET A 32 -0.878 -7.355 -2.827 1.00 0.00 C ATOM 448 O MET A 32 -1.786 -7.184 -3.641 1.00 0.00 O ATOM 449 CB MET A 32 -0.798 -8.106 -0.442 1.00 0.00 C ATOM 450 CG MET A 32 -1.326 -9.131 0.549 1.00 0.00 C ATOM 451 SD MET A 32 -0.975 -8.687 2.261 1.00 0.00 S ATOM 452 CE MET A 32 0.280 -9.895 2.674 1.00 0.00 C ATOM 0 H MET A 32 0.897 -9.587 -1.448 1.00 0.00 H new ATOM 0 HA MET A 32 -1.807 -9.116 -2.048 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.240 -7.878 -0.198 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.363 -7.180 -0.330 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.403 -9.236 0.418 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.883 -10.103 0.332 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.913 -9.504 3.470 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.198 -10.816 3.009 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.890 -10.102 1.794 1.00 0.00 H new ATOM 462 N LEU A 33 0.146 -6.518 -2.699 1.00 0.00 N ATOM 463 CA LEU A 33 0.265 -5.323 -3.527 1.00 0.00 C ATOM 464 C LEU A 33 0.480 -5.693 -4.991 1.00 0.00 C ATOM 465 O LEU A 33 0.109 -4.943 -5.893 1.00 0.00 O ATOM 466 CB LEU A 33 1.421 -4.450 -3.034 1.00 0.00 C ATOM 467 CG LEU A 33 1.427 -4.126 -1.540 1.00 0.00 C ATOM 468 CD1 LEU A 33 2.714 -3.413 -1.154 1.00 0.00 C ATOM 469 CD2 LEU A 33 0.216 -3.280 -1.172 1.00 0.00 C ATOM 0 H LEU A 33 0.905 -6.645 -2.030 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.666 -4.762 -3.447 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.358 -4.949 -3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.404 -3.512 -3.589 1.00 0.00 H new ATOM 0 HG LEU A 33 1.373 -5.062 -0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.701 -3.190 -0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.567 -4.053 -1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.798 -2.484 -1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.237 -3.059 -0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.239 -2.348 -1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.696 -3.827 -1.411 1.00 0.00 H new ATOM 481 N GLY A 34 1.082 -6.856 -5.219 1.00 0.00 N ATOM 482 CA GLY A 34 1.335 -7.307 -6.575 1.00 0.00 C ATOM 483 C GLY A 34 2.539 -6.629 -7.197 1.00 0.00 C ATOM 484 O GLY A 34 2.525 -6.283 -8.379 1.00 0.00 O ATOM 0 H GLY A 34 1.399 -7.494 -4.489 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.491 -8.386 -6.573 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.455 -7.113 -7.189 1.00 0.00 H new ATOM 488 N VAL A 35 3.585 -6.435 -6.399 1.00 0.00 N ATOM 489 CA VAL A 35 4.803 -5.792 -6.878 1.00 0.00 C ATOM 490 C VAL A 35 6.033 -6.630 -6.546 1.00 0.00 C ATOM 491 O VAL A 35 6.097 -7.271 -5.497 1.00 0.00 O ATOM 492 CB VAL A 35 4.973 -4.387 -6.269 1.00 0.00 C ATOM 493 CG1 VAL A 35 3.853 -3.467 -6.731 1.00 0.00 C ATOM 494 CG2 VAL A 35 5.017 -4.467 -4.751 1.00 0.00 C ATOM 0 H VAL A 35 3.613 -6.714 -5.418 1.00 0.00 H new ATOM 0 HA VAL A 35 4.709 -5.702 -7.960 1.00 0.00 H new ATOM 0 HB VAL A 35 5.919 -3.971 -6.615 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.989 -2.479 -6.291 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.873 -3.386 -7.818 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.893 -3.876 -6.415 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.137 -3.466 -4.337 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.088 -4.903 -4.383 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.857 -5.090 -4.444 1.00 0.00 H new ATOM 504 N LYS A 36 7.009 -6.620 -7.448 1.00 0.00 N ATOM 505 CA LYS A 36 8.240 -7.377 -7.252 1.00 0.00 C ATOM 506 C LYS A 36 8.959 -6.928 -5.983 1.00 0.00 C ATOM 507 O LYS A 36 8.818 -5.791 -5.531 1.00 0.00 O ATOM 508 CB LYS A 36 9.163 -7.210 -8.460 1.00 0.00 C ATOM 509 CG LYS A 36 9.959 -5.916 -8.444 1.00 0.00 C ATOM 510 CD LYS A 36 9.182 -4.775 -9.077 1.00 0.00 C ATOM 511 CE LYS A 36 9.123 -4.912 -10.590 1.00 0.00 C ATOM 512 NZ LYS A 36 8.200 -3.917 -11.202 1.00 0.00 N ATOM 0 H LYS A 36 6.971 -6.096 -8.322 1.00 0.00 H new ATOM 0 HA LYS A 36 7.977 -8.429 -7.146 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.855 -8.052 -8.497 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.566 -7.248 -9.371 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.214 -5.657 -7.416 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.898 -6.059 -8.979 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.170 -4.755 -8.673 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.649 -3.826 -8.815 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.123 -4.783 -11.005 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.796 -5.919 -10.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.188 -4.044 -12.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.241 -4.056 -10.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.526 -2.956 -10.975 1.00 0.00 H new ATOM 526 N PRO A 37 9.749 -7.839 -5.396 1.00 0.00 N ATOM 527 CA PRO A 37 10.507 -7.558 -4.173 1.00 0.00 C ATOM 528 C PRO A 37 11.650 -6.577 -4.412 1.00 0.00 C ATOM 529 O PRO A 37 12.266 -6.086 -3.467 1.00 0.00 O ATOM 530 CB PRO A 37 11.054 -8.930 -3.772 1.00 0.00 C ATOM 531 CG PRO A 37 11.115 -9.700 -5.046 1.00 0.00 C ATOM 532 CD PRO A 37 9.963 -9.213 -5.880 1.00 0.00 C ATOM 0 HA PRO A 37 9.888 -7.091 -3.407 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.039 -8.845 -3.313 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.405 -9.418 -3.045 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.064 -9.535 -5.557 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.036 -10.771 -4.859 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.201 -9.232 -6.944 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.076 -9.831 -5.740 1.00 0.00 H new ATOM 540 N GLY A 38 11.927 -6.296 -5.681 1.00 0.00 N ATOM 541 CA GLY A 38 12.995 -5.375 -6.021 1.00 0.00 C ATOM 542 C GLY A 38 12.478 -3.999 -6.394 1.00 0.00 C ATOM 543 O GLY A 38 13.163 -3.235 -7.073 1.00 0.00 O ATOM 0 H GLY A 38 11.431 -6.690 -6.480 1.00 0.00 H new ATOM 0 HA2 GLY A 38 13.677 -5.286 -5.175 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.570 -5.782 -6.853 1.00 0.00 H new ATOM 547 N ALA A 39 11.265 -3.685 -5.952 1.00 0.00 N ATOM 548 CA ALA A 39 10.657 -2.393 -6.243 1.00 0.00 C ATOM 549 C ALA A 39 11.102 -1.337 -5.237 1.00 0.00 C ATOM 550 O ALA A 39 11.855 -1.630 -4.308 1.00 0.00 O ATOM 551 CB ALA A 39 9.140 -2.513 -6.250 1.00 0.00 C ATOM 0 H ALA A 39 10.684 -4.308 -5.391 1.00 0.00 H new ATOM 0 HA ALA A 39 10.990 -2.077 -7.232 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.699 -1.540 -6.469 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.835 -3.229 -7.013 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.798 -2.855 -5.273 1.00 0.00 H new ATOM 557 N SER A 40 10.632 -0.109 -5.428 1.00 0.00 N ATOM 558 CA SER A 40 10.985 0.992 -4.539 1.00 0.00 C ATOM 559 C SER A 40 9.734 1.644 -3.958 1.00 0.00 C ATOM 560 O SER A 40 8.614 1.335 -4.364 1.00 0.00 O ATOM 561 CB SER A 40 11.816 2.035 -5.289 1.00 0.00 C ATOM 562 OG SER A 40 13.173 1.636 -5.381 1.00 0.00 O ATOM 0 H SER A 40 10.006 0.149 -6.191 1.00 0.00 H new ATOM 0 HA SER A 40 11.577 0.588 -3.718 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.408 2.179 -6.289 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.750 2.995 -4.776 1.00 0.00 H new ATOM 0 HG SER A 40 13.682 2.318 -5.866 1.00 0.00 H new ATOM 568 N ARG A 41 9.934 2.548 -3.004 1.00 0.00 N ATOM 569 CA ARG A 41 8.823 3.243 -2.365 1.00 0.00 C ATOM 570 C ARG A 41 7.786 3.674 -3.398 1.00 0.00 C ATOM 571 O ARG A 41 6.606 3.341 -3.283 1.00 0.00 O ATOM 572 CB ARG A 41 9.332 4.465 -1.598 1.00 0.00 C ATOM 573 CG ARG A 41 8.235 5.233 -0.879 1.00 0.00 C ATOM 574 CD ARG A 41 8.812 6.270 0.071 1.00 0.00 C ATOM 575 NE ARG A 41 9.141 5.696 1.374 1.00 0.00 N ATOM 576 CZ ARG A 41 9.632 6.403 2.385 1.00 0.00 C ATOM 577 NH1 ARG A 41 9.849 7.704 2.246 1.00 0.00 N ATOM 578 NH2 ARG A 41 9.905 5.809 3.540 1.00 0.00 N ATOM 0 H ARG A 41 10.855 2.816 -2.657 1.00 0.00 H new ATOM 0 HA ARG A 41 8.350 2.554 -1.665 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.075 4.142 -0.869 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.837 5.135 -2.293 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.594 5.725 -1.611 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.607 4.537 -0.322 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.708 6.706 -0.370 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.095 7.080 0.202 1.00 0.00 H new ATOM 0 HE ARG A 41 8.985 4.698 1.514 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.639 8.164 1.360 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.226 8.244 3.025 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.738 4.809 3.651 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.282 6.352 4.316 1.00 0.00 H new ATOM 592 N ASP A 42 8.233 4.415 -4.405 1.00 0.00 N ATOM 593 CA ASP A 42 7.344 4.891 -5.458 1.00 0.00 C ATOM 594 C ASP A 42 6.437 3.769 -5.952 1.00 0.00 C ATOM 595 O ASP A 42 5.219 3.929 -6.024 1.00 0.00 O ATOM 596 CB ASP A 42 8.157 5.457 -6.624 1.00 0.00 C ATOM 597 CG ASP A 42 9.451 4.700 -6.849 1.00 0.00 C ATOM 598 OD1 ASP A 42 9.401 3.605 -7.446 1.00 0.00 O ATOM 599 OD2 ASP A 42 10.513 5.204 -6.429 1.00 0.00 O ATOM 0 H ASP A 42 9.206 4.699 -4.515 1.00 0.00 H new ATOM 0 HA ASP A 42 6.720 5.682 -5.042 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.556 5.422 -7.533 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.382 6.506 -6.431 1.00 0.00 H new ATOM 604 N GLU A 43 7.040 2.634 -6.292 1.00 0.00 N ATOM 605 CA GLU A 43 6.286 1.486 -6.781 1.00 0.00 C ATOM 606 C GLU A 43 5.375 0.928 -5.691 1.00 0.00 C ATOM 607 O GLU A 43 4.163 0.816 -5.876 1.00 0.00 O ATOM 608 CB GLU A 43 7.238 0.394 -7.273 1.00 0.00 C ATOM 609 CG GLU A 43 7.768 0.635 -8.676 1.00 0.00 C ATOM 610 CD GLU A 43 9.149 0.045 -8.888 1.00 0.00 C ATOM 611 OE1 GLU A 43 10.137 0.679 -8.463 1.00 0.00 O ATOM 612 OE2 GLU A 43 9.240 -1.052 -9.478 1.00 0.00 O ATOM 0 H GLU A 43 8.048 2.485 -6.238 1.00 0.00 H new ATOM 0 HA GLU A 43 5.666 1.820 -7.613 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.079 0.320 -6.584 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.721 -0.565 -7.249 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.077 0.203 -9.400 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.802 1.707 -8.868 1.00 0.00 H new ATOM 619 N VAL A 44 5.968 0.580 -4.553 1.00 0.00 N ATOM 620 CA VAL A 44 5.212 0.035 -3.432 1.00 0.00 C ATOM 621 C VAL A 44 3.975 0.877 -3.143 1.00 0.00 C ATOM 622 O VAL A 44 2.908 0.346 -2.835 1.00 0.00 O ATOM 623 CB VAL A 44 6.075 -0.045 -2.159 1.00 0.00 C ATOM 624 CG1 VAL A 44 5.231 -0.475 -0.968 1.00 0.00 C ATOM 625 CG2 VAL A 44 7.244 -0.996 -2.366 1.00 0.00 C ATOM 0 H VAL A 44 6.970 0.666 -4.383 1.00 0.00 H new ATOM 0 HA VAL A 44 4.904 -0.971 -3.717 1.00 0.00 H new ATOM 0 HB VAL A 44 6.476 0.947 -1.950 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.858 -0.526 -0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.432 0.249 -0.808 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.798 -1.456 -1.164 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.843 -1.040 -1.456 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.866 -1.991 -2.600 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.862 -0.639 -3.190 1.00 0.00 H new ATOM 635 N ASN A 45 4.125 2.194 -3.244 1.00 0.00 N ATOM 636 CA ASN A 45 3.019 3.111 -2.993 1.00 0.00 C ATOM 637 C ASN A 45 2.021 3.089 -4.148 1.00 0.00 C ATOM 638 O ASN A 45 0.809 3.074 -3.936 1.00 0.00 O ATOM 639 CB ASN A 45 3.545 4.532 -2.786 1.00 0.00 C ATOM 640 CG ASN A 45 4.013 4.773 -1.363 1.00 0.00 C ATOM 641 OD1 ASN A 45 3.227 5.157 -0.496 1.00 0.00 O ATOM 642 ND2 ASN A 45 5.298 4.549 -1.118 1.00 0.00 N ATOM 0 H ASN A 45 5.001 2.650 -3.498 1.00 0.00 H new ATOM 0 HA ASN A 45 2.507 2.785 -2.088 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.371 4.715 -3.473 1.00 0.00 H new ATOM 0 HB3 ASN A 45 2.760 5.247 -3.034 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.671 4.694 -0.180 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.912 4.231 -1.868 1.00 0.00 H new ATOM 649 N LYS A 46 2.541 3.087 -5.371 1.00 0.00 N ATOM 650 CA LYS A 46 1.698 3.065 -6.561 1.00 0.00 C ATOM 651 C LYS A 46 0.733 1.885 -6.522 1.00 0.00 C ATOM 652 O LYS A 46 -0.472 2.049 -6.714 1.00 0.00 O ATOM 653 CB LYS A 46 2.562 2.990 -7.821 1.00 0.00 C ATOM 654 CG LYS A 46 1.921 3.638 -9.037 1.00 0.00 C ATOM 655 CD LYS A 46 1.873 5.151 -8.902 1.00 0.00 C ATOM 656 CE LYS A 46 3.133 5.800 -9.453 1.00 0.00 C ATOM 657 NZ LYS A 46 3.143 5.816 -10.942 1.00 0.00 N ATOM 0 H LYS A 46 3.542 3.100 -5.564 1.00 0.00 H new ATOM 0 HA LYS A 46 1.116 3.987 -6.581 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.519 3.473 -7.624 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.773 1.944 -8.045 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.482 3.369 -9.932 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.910 3.251 -9.166 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.002 5.537 -9.432 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.753 5.420 -7.853 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.209 6.821 -9.078 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.008 5.261 -9.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.927 6.411 -11.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.267 4.847 -11.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.242 6.201 -11.291 1.00 0.00 H new ATOM 671 N ALA A 47 1.270 0.695 -6.271 1.00 0.00 N ATOM 672 CA ALA A 47 0.455 -0.512 -6.204 1.00 0.00 C ATOM 673 C ALA A 47 -0.508 -0.459 -5.022 1.00 0.00 C ATOM 674 O ALA A 47 -1.658 -0.887 -5.126 1.00 0.00 O ATOM 675 CB ALA A 47 1.343 -1.743 -6.109 1.00 0.00 C ATOM 0 H ALA A 47 2.266 0.541 -6.111 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.136 -0.573 -7.118 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.721 -2.637 -6.060 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.986 -1.796 -6.987 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.959 -1.679 -5.212 1.00 0.00 H new ATOM 681 N TYR A 48 -0.030 0.066 -3.899 1.00 0.00 N ATOM 682 CA TYR A 48 -0.848 0.172 -2.697 1.00 0.00 C ATOM 683 C TYR A 48 -2.057 1.071 -2.937 1.00 0.00 C ATOM 684 O TYR A 48 -3.142 0.825 -2.411 1.00 0.00 O ATOM 685 CB TYR A 48 -0.016 0.716 -1.535 1.00 0.00 C ATOM 686 CG TYR A 48 -0.827 1.484 -0.516 1.00 0.00 C ATOM 687 CD1 TYR A 48 -1.310 2.756 -0.798 1.00 0.00 C ATOM 688 CD2 TYR A 48 -1.113 0.936 0.729 1.00 0.00 C ATOM 689 CE1 TYR A 48 -2.051 3.460 0.131 1.00 0.00 C ATOM 690 CE2 TYR A 48 -1.855 1.633 1.663 1.00 0.00 C ATOM 691 CZ TYR A 48 -2.321 2.895 1.359 1.00 0.00 C ATOM 692 OH TYR A 48 -3.061 3.593 2.286 1.00 0.00 O ATOM 0 H TYR A 48 0.919 0.425 -3.796 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.206 -0.826 -2.443 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.484 -0.115 -1.037 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.764 1.366 -1.931 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.103 3.202 -1.760 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.749 -0.052 0.970 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.417 4.449 -0.104 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -2.069 1.192 2.625 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.162 3.053 3.098 1.00 0.00 H new ATOM 702 N ARG A 49 -1.860 2.115 -3.736 1.00 0.00 N ATOM 703 CA ARG A 49 -2.932 3.053 -4.046 1.00 0.00 C ATOM 704 C ARG A 49 -4.035 2.371 -4.850 1.00 0.00 C ATOM 705 O ARG A 49 -5.153 2.193 -4.366 1.00 0.00 O ATOM 706 CB ARG A 49 -2.383 4.249 -4.826 1.00 0.00 C ATOM 707 CG ARG A 49 -1.825 5.350 -3.939 1.00 0.00 C ATOM 708 CD ARG A 49 -1.418 6.568 -4.752 1.00 0.00 C ATOM 709 NE ARG A 49 -2.559 7.185 -5.423 1.00 0.00 N ATOM 710 CZ ARG A 49 -2.593 8.460 -5.793 1.00 0.00 C ATOM 711 NH1 ARG A 49 -1.553 9.250 -5.560 1.00 0.00 N ATOM 712 NH2 ARG A 49 -3.668 8.948 -6.399 1.00 0.00 N ATOM 0 H ARG A 49 -0.968 2.332 -4.180 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.356 3.405 -3.106 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.598 3.904 -5.499 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.177 4.662 -5.448 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.573 5.638 -3.200 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.962 4.974 -3.389 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.944 7.299 -4.097 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.675 6.276 -5.494 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.375 6.605 -5.618 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.724 8.879 -5.096 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.582 10.229 -5.845 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.469 8.344 -6.581 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.693 9.927 -6.683 1.00 0.00 H new ATOM 726 N LYS A 50 -3.713 1.991 -6.082 1.00 0.00 N ATOM 727 CA LYS A 50 -4.674 1.327 -6.955 1.00 0.00 C ATOM 728 C LYS A 50 -5.459 0.265 -6.192 1.00 0.00 C ATOM 729 O LYS A 50 -6.666 0.112 -6.384 1.00 0.00 O ATOM 730 CB LYS A 50 -3.957 0.690 -8.147 1.00 0.00 C ATOM 731 CG LYS A 50 -2.931 -0.358 -7.750 1.00 0.00 C ATOM 732 CD LYS A 50 -2.261 -0.971 -8.967 1.00 0.00 C ATOM 733 CE LYS A 50 -1.287 0.000 -9.616 1.00 0.00 C ATOM 734 NZ LYS A 50 -0.702 -0.554 -10.868 1.00 0.00 N ATOM 0 H LYS A 50 -2.793 2.132 -6.499 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.374 2.078 -7.320 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.697 0.232 -8.803 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.462 1.472 -8.723 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.176 0.096 -7.108 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.416 -1.141 -7.168 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.731 -1.878 -8.674 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.020 -1.265 -9.692 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.801 0.935 -9.838 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.487 0.235 -8.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.044 0.138 -11.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.190 -1.433 -10.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.463 -0.754 -11.548 1.00 0.00 H new ATOM 748 N LEU A 51 -4.767 -0.466 -5.325 1.00 0.00 N ATOM 749 CA LEU A 51 -5.399 -1.514 -4.531 1.00 0.00 C ATOM 750 C LEU A 51 -6.306 -0.915 -3.461 1.00 0.00 C ATOM 751 O LEU A 51 -7.497 -1.219 -3.401 1.00 0.00 O ATOM 752 CB LEU A 51 -4.336 -2.399 -3.878 1.00 0.00 C ATOM 753 CG LEU A 51 -4.798 -3.786 -3.431 1.00 0.00 C ATOM 754 CD1 LEU A 51 -5.186 -4.632 -4.633 1.00 0.00 C ATOM 755 CD2 LEU A 51 -3.711 -4.475 -2.619 1.00 0.00 C ATOM 0 H LEU A 51 -3.768 -0.352 -5.154 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.009 -2.123 -5.199 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.512 -2.522 -4.581 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.938 -1.874 -3.010 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.677 -3.668 -2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.512 -5.616 -4.295 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.998 -4.146 -5.173 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.326 -4.742 -5.294 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.058 -5.461 -2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.813 -4.581 -3.228 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.482 -3.877 -1.737 1.00 0.00 H new ATOM 767 N ALA A 52 -5.734 -0.060 -2.620 1.00 0.00 N ATOM 768 CA ALA A 52 -6.491 0.586 -1.555 1.00 0.00 C ATOM 769 C ALA A 52 -7.885 0.977 -2.032 1.00 0.00 C ATOM 770 O ALA A 52 -8.873 0.783 -1.322 1.00 0.00 O ATOM 771 CB ALA A 52 -5.744 1.809 -1.042 1.00 0.00 C ATOM 0 H ALA A 52 -4.749 0.201 -2.656 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.602 -0.127 -0.738 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.321 2.281 -0.247 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.772 1.505 -0.653 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.603 2.518 -1.858 1.00 0.00 H new ATOM 777 N VAL A 53 -7.960 1.529 -3.239 1.00 0.00 N ATOM 778 CA VAL A 53 -9.234 1.948 -3.811 1.00 0.00 C ATOM 779 C VAL A 53 -10.165 0.757 -4.007 1.00 0.00 C ATOM 780 O VAL A 53 -11.369 0.850 -3.763 1.00 0.00 O ATOM 781 CB VAL A 53 -9.035 2.658 -5.164 1.00 0.00 C ATOM 782 CG1 VAL A 53 -10.378 3.013 -5.782 1.00 0.00 C ATOM 783 CG2 VAL A 53 -8.173 3.899 -4.991 1.00 0.00 C ATOM 0 H VAL A 53 -7.153 1.696 -3.840 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.684 2.646 -3.105 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.519 1.977 -5.841 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.218 3.514 -6.737 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.957 2.103 -5.942 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.923 3.677 -5.111 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.042 4.389 -5.956 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.659 4.586 -4.298 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.199 3.613 -4.594 1.00 0.00 H new ATOM 793 N LEU A 54 -9.602 -0.362 -4.448 1.00 0.00 N ATOM 794 CA LEU A 54 -10.382 -1.573 -4.676 1.00 0.00 C ATOM 795 C LEU A 54 -10.844 -2.181 -3.356 1.00 0.00 C ATOM 796 O LEU A 54 -11.949 -2.715 -3.258 1.00 0.00 O ATOM 797 CB LEU A 54 -9.557 -2.595 -5.460 1.00 0.00 C ATOM 798 CG LEU A 54 -10.300 -3.851 -5.915 1.00 0.00 C ATOM 799 CD1 LEU A 54 -11.170 -3.548 -7.126 1.00 0.00 C ATOM 800 CD2 LEU A 54 -9.316 -4.969 -6.230 1.00 0.00 C ATOM 0 H LEU A 54 -8.608 -0.456 -4.655 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.263 -1.303 -5.258 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.146 -2.101 -6.341 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.712 -2.901 -4.843 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.947 -4.181 -5.102 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -11.691 -4.454 -7.436 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.899 -2.780 -6.867 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.544 -3.192 -7.944 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.863 -5.855 -6.552 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.644 -4.648 -7.026 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.736 -5.205 -5.338 1.00 0.00 H new ATOM 812 N LEU A 55 -9.991 -2.094 -2.341 1.00 0.00 N ATOM 813 CA LEU A 55 -10.312 -2.633 -1.024 1.00 0.00 C ATOM 814 C LEU A 55 -10.810 -1.533 -0.092 1.00 0.00 C ATOM 815 O LEU A 55 -11.077 -1.776 1.086 1.00 0.00 O ATOM 816 CB LEU A 55 -9.084 -3.314 -0.417 1.00 0.00 C ATOM 817 CG LEU A 55 -8.359 -4.317 -1.316 1.00 0.00 C ATOM 818 CD1 LEU A 55 -6.934 -4.534 -0.833 1.00 0.00 C ATOM 819 CD2 LEU A 55 -9.116 -5.636 -1.361 1.00 0.00 C ATOM 0 H LEU A 55 -9.072 -1.656 -2.405 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.107 -3.370 -1.144 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.374 -2.542 -0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.392 -3.829 0.493 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.320 -3.909 -2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.434 -5.250 -1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.395 -3.587 -0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.950 -4.920 0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.586 -6.338 -2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.187 -6.049 -0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.118 -5.467 -1.755 1.00 0.00 H new ATOM 831 N HIS A 56 -10.934 -0.322 -0.626 1.00 0.00 N ATOM 832 CA HIS A 56 -11.404 0.815 0.157 1.00 0.00 C ATOM 833 C HIS A 56 -12.715 0.484 0.863 1.00 0.00 C ATOM 834 O HIS A 56 -13.576 -0.216 0.330 1.00 0.00 O ATOM 835 CB HIS A 56 -11.589 2.038 -0.741 1.00 0.00 C ATOM 836 CG HIS A 56 -11.259 3.333 -0.065 1.00 0.00 C ATOM 837 ND1 HIS A 56 -12.213 4.266 0.282 1.00 0.00 N ATOM 838 CD2 HIS A 56 -10.071 3.849 0.329 1.00 0.00 C ATOM 839 CE1 HIS A 56 -11.627 5.299 0.860 1.00 0.00 C ATOM 840 NE2 HIS A 56 -10.327 5.071 0.901 1.00 0.00 N ATOM 0 H HIS A 56 -10.715 -0.103 -1.598 1.00 0.00 H new ATOM 0 HA HIS A 56 -10.652 1.040 0.913 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -10.960 1.928 -1.624 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.622 2.071 -1.087 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.102 3.386 0.215 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -12.126 6.180 1.235 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -9.627 5.700 1.294 1.00 0.00 H new ATOM 848 N PRO A 57 -12.872 0.998 2.092 1.00 0.00 N ATOM 849 CA PRO A 57 -14.076 0.771 2.897 1.00 0.00 C ATOM 850 C PRO A 57 -15.296 1.491 2.333 1.00 0.00 C ATOM 851 O PRO A 57 -16.409 0.966 2.365 1.00 0.00 O ATOM 852 CB PRO A 57 -13.701 1.345 4.265 1.00 0.00 C ATOM 853 CG PRO A 57 -12.652 2.362 3.975 1.00 0.00 C ATOM 854 CD PRO A 57 -11.887 1.842 2.790 1.00 0.00 C ATOM 0 HA PRO A 57 -14.356 -0.282 2.923 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -14.564 1.795 4.755 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.326 0.568 4.931 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -13.099 3.332 3.756 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -11.995 2.500 4.834 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.530 2.653 2.155 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.012 1.269 3.097 1.00 0.00 H new ATOM 862 N ASP A 58 -15.079 2.696 1.816 1.00 0.00 N ATOM 863 CA ASP A 58 -16.160 3.488 1.243 1.00 0.00 C ATOM 864 C ASP A 58 -16.419 3.087 -0.206 1.00 0.00 C ATOM 865 O ASP A 58 -17.327 3.609 -0.853 1.00 0.00 O ATOM 866 CB ASP A 58 -15.826 4.978 1.321 1.00 0.00 C ATOM 867 CG ASP A 58 -16.087 5.559 2.697 1.00 0.00 C ATOM 868 OD1 ASP A 58 -16.000 4.802 3.686 1.00 0.00 O ATOM 869 OD2 ASP A 58 -16.378 6.770 2.785 1.00 0.00 O ATOM 0 H ASP A 58 -14.164 3.145 1.782 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.064 3.296 1.821 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.778 5.127 1.060 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -16.418 5.519 0.583 1.00 0.00 H new ATOM 874 N LYS A 59 -15.614 2.158 -0.710 1.00 0.00 N ATOM 875 CA LYS A 59 -15.755 1.686 -2.082 1.00 0.00 C ATOM 876 C LYS A 59 -16.083 0.196 -2.114 1.00 0.00 C ATOM 877 O LYS A 59 -16.704 -0.292 -3.060 1.00 0.00 O ATOM 878 CB LYS A 59 -14.470 1.952 -2.869 1.00 0.00 C ATOM 879 CG LYS A 59 -13.946 3.370 -2.716 1.00 0.00 C ATOM 880 CD LYS A 59 -14.491 4.286 -3.798 1.00 0.00 C ATOM 881 CE LYS A 59 -13.600 4.284 -5.031 1.00 0.00 C ATOM 882 NZ LYS A 59 -14.061 3.298 -6.047 1.00 0.00 N ATOM 0 H LYS A 59 -14.857 1.717 -0.188 1.00 0.00 H new ATOM 0 HA LYS A 59 -16.577 2.232 -2.545 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -13.701 1.252 -2.541 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -14.653 1.753 -3.925 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -14.224 3.758 -1.736 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.857 3.363 -2.759 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -15.496 3.967 -4.074 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -14.574 5.301 -3.409 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.588 5.281 -5.472 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.576 4.052 -4.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.856 3.660 -7.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.564 2.395 -5.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -15.085 3.149 -5.947 1.00 0.00 H new ATOM 896 N CYS A 60 -15.664 -0.519 -1.077 1.00 0.00 N ATOM 897 CA CYS A 60 -15.915 -1.954 -0.986 1.00 0.00 C ATOM 898 C CYS A 60 -16.641 -2.298 0.310 1.00 0.00 C ATOM 899 O CYS A 60 -16.037 -2.334 1.382 1.00 0.00 O ATOM 900 CB CYS A 60 -14.599 -2.729 -1.069 1.00 0.00 C ATOM 901 SG CYS A 60 -14.783 -4.437 -1.633 1.00 0.00 S ATOM 0 H CYS A 60 -15.149 -0.130 -0.287 1.00 0.00 H new ATOM 0 HA CYS A 60 -16.551 -2.241 -1.824 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -13.923 -2.205 -1.745 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -14.128 -2.731 -0.086 1.00 0.00 H new ATOM 0 HG CYS A 60 -13.659 -5.070 -1.473 1.00 0.00 H new ATOM 907 N VAL A 61 -17.942 -2.549 0.204 1.00 0.00 N ATOM 908 CA VAL A 61 -18.752 -2.890 1.368 1.00 0.00 C ATOM 909 C VAL A 61 -18.700 -4.386 1.654 1.00 0.00 C ATOM 910 O VAL A 61 -19.465 -4.899 2.470 1.00 0.00 O ATOM 911 CB VAL A 61 -20.220 -2.466 1.174 1.00 0.00 C ATOM 912 CG1 VAL A 61 -20.304 -1.004 0.765 1.00 0.00 C ATOM 913 CG2 VAL A 61 -20.899 -3.356 0.144 1.00 0.00 C ATOM 0 H VAL A 61 -18.458 -2.523 -0.676 1.00 0.00 H new ATOM 0 HA VAL A 61 -18.334 -2.346 2.215 1.00 0.00 H new ATOM 0 HB VAL A 61 -20.743 -2.583 2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -21.349 -0.723 0.633 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -19.856 -0.383 1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -19.767 -0.857 -0.172 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -21.935 -3.043 0.019 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -20.377 -3.273 -0.809 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -20.871 -4.392 0.483 1.00 0.00 H new ATOM 923 N ALA A 62 -17.791 -5.081 0.978 1.00 0.00 N ATOM 924 CA ALA A 62 -17.637 -6.519 1.162 1.00 0.00 C ATOM 925 C ALA A 62 -17.180 -6.845 2.580 1.00 0.00 C ATOM 926 O ALA A 62 -16.527 -6.044 3.247 1.00 0.00 O ATOM 927 CB ALA A 62 -16.652 -7.078 0.146 1.00 0.00 C ATOM 0 H ALA A 62 -17.150 -4.672 0.298 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.609 -6.987 1.005 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -16.546 -8.153 0.295 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -17.020 -6.886 -0.862 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.683 -6.597 0.276 1.00 0.00 H new ATOM 933 N PRO A 63 -17.532 -8.051 3.053 1.00 0.00 N ATOM 934 CA PRO A 63 -17.168 -8.510 4.396 1.00 0.00 C ATOM 935 C PRO A 63 -15.674 -8.784 4.531 1.00 0.00 C ATOM 936 O PRO A 63 -15.140 -8.835 5.638 1.00 0.00 O ATOM 937 CB PRO A 63 -17.967 -9.807 4.555 1.00 0.00 C ATOM 938 CG PRO A 63 -18.185 -10.290 3.163 1.00 0.00 C ATOM 939 CD PRO A 63 -18.310 -9.057 2.312 1.00 0.00 C ATOM 0 HA PRO A 63 -17.388 -7.761 5.157 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.419 -10.540 5.147 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.914 -9.629 5.065 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -17.353 -10.911 2.831 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -19.085 -10.902 3.099 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -17.910 -9.217 1.311 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -19.350 -8.754 2.194 1.00 0.00 H new ATOM 947 N GLY A 64 -15.005 -8.960 3.396 1.00 0.00 N ATOM 948 CA GLY A 64 -13.578 -9.227 3.409 1.00 0.00 C ATOM 949 C GLY A 64 -12.754 -7.983 3.142 1.00 0.00 C ATOM 950 O GLY A 64 -11.653 -7.834 3.673 1.00 0.00 O ATOM 0 H GLY A 64 -15.425 -8.923 2.467 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.298 -9.644 4.376 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.346 -9.981 2.657 1.00 0.00 H new ATOM 954 N SER A 65 -13.285 -7.089 2.315 1.00 0.00 N ATOM 955 CA SER A 65 -12.588 -5.854 1.973 1.00 0.00 C ATOM 956 C SER A 65 -11.867 -5.283 3.191 1.00 0.00 C ATOM 957 O SER A 65 -10.751 -4.776 3.082 1.00 0.00 O ATOM 958 CB SER A 65 -13.574 -4.823 1.421 1.00 0.00 C ATOM 959 OG SER A 65 -14.319 -4.218 2.464 1.00 0.00 O ATOM 0 H SER A 65 -14.196 -7.196 1.869 1.00 0.00 H new ATOM 0 HA SER A 65 -11.847 -6.084 1.207 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.031 -4.057 0.866 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.253 -5.305 0.718 1.00 0.00 H new ATOM 0 HG SER A 65 -14.916 -3.538 2.088 1.00 0.00 H new ATOM 965 N GLU A 66 -12.514 -5.370 4.349 1.00 0.00 N ATOM 966 CA GLU A 66 -11.935 -4.861 5.586 1.00 0.00 C ATOM 967 C GLU A 66 -10.588 -5.519 5.868 1.00 0.00 C ATOM 968 O GLU A 66 -9.543 -4.870 5.807 1.00 0.00 O ATOM 969 CB GLU A 66 -12.888 -5.103 6.759 1.00 0.00 C ATOM 970 CG GLU A 66 -12.290 -4.755 8.111 1.00 0.00 C ATOM 971 CD GLU A 66 -12.522 -3.307 8.497 1.00 0.00 C ATOM 972 OE1 GLU A 66 -12.696 -2.472 7.586 1.00 0.00 O ATOM 973 OE2 GLU A 66 -12.529 -3.010 9.710 1.00 0.00 O ATOM 0 H GLU A 66 -13.438 -5.788 4.456 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.779 -3.789 5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.793 -4.514 6.609 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -13.187 -6.151 6.763 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.722 -5.404 8.873 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.219 -4.955 8.092 1.00 0.00 H new ATOM 980 N ASP A 67 -10.620 -6.811 6.176 1.00 0.00 N ATOM 981 CA ASP A 67 -9.402 -7.559 6.466 1.00 0.00 C ATOM 982 C ASP A 67 -8.322 -7.260 5.431 1.00 0.00 C ATOM 983 O ASP A 67 -7.152 -7.089 5.773 1.00 0.00 O ATOM 984 CB ASP A 67 -9.695 -9.060 6.498 1.00 0.00 C ATOM 985 CG ASP A 67 -8.561 -9.858 7.111 1.00 0.00 C ATOM 986 OD1 ASP A 67 -8.013 -9.415 8.143 1.00 0.00 O ATOM 987 OD2 ASP A 67 -8.222 -10.926 6.560 1.00 0.00 O ATOM 0 H ASP A 67 -11.476 -7.362 6.231 1.00 0.00 H new ATOM 0 HA ASP A 67 -9.038 -7.248 7.445 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.608 -9.237 7.066 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.877 -9.413 5.483 1.00 0.00 H new ATOM 992 N ALA A 68 -8.722 -7.201 4.165 1.00 0.00 N ATOM 993 CA ALA A 68 -7.789 -6.923 3.081 1.00 0.00 C ATOM 994 C ALA A 68 -7.047 -5.612 3.318 1.00 0.00 C ATOM 995 O ALA A 68 -5.829 -5.600 3.498 1.00 0.00 O ATOM 996 CB ALA A 68 -8.523 -6.883 1.749 1.00 0.00 C ATOM 0 H ALA A 68 -9.687 -7.342 3.865 1.00 0.00 H new ATOM 0 HA ALA A 68 -7.053 -7.727 3.053 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.813 -6.674 0.949 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -9.001 -7.846 1.568 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.281 -6.100 1.775 1.00 0.00 H new ATOM 1002 N PHE A 69 -7.789 -4.509 3.316 1.00 0.00 N ATOM 1003 CA PHE A 69 -7.200 -3.192 3.529 1.00 0.00 C ATOM 1004 C PHE A 69 -6.157 -3.236 4.641 1.00 0.00 C ATOM 1005 O PHE A 69 -5.047 -2.724 4.488 1.00 0.00 O ATOM 1006 CB PHE A 69 -8.289 -2.174 3.876 1.00 0.00 C ATOM 1007 CG PHE A 69 -7.815 -0.750 3.829 1.00 0.00 C ATOM 1008 CD1 PHE A 69 -7.169 -0.258 2.706 1.00 0.00 C ATOM 1009 CD2 PHE A 69 -8.014 0.097 4.907 1.00 0.00 C ATOM 1010 CE1 PHE A 69 -6.731 1.053 2.659 1.00 0.00 C ATOM 1011 CE2 PHE A 69 -7.579 1.408 4.866 1.00 0.00 C ATOM 1012 CZ PHE A 69 -6.936 1.886 3.741 1.00 0.00 C ATOM 0 H PHE A 69 -8.798 -4.501 3.169 1.00 0.00 H new ATOM 0 HA PHE A 69 -6.708 -2.888 2.605 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -9.122 -2.294 3.183 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.671 -2.389 4.874 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -7.006 -0.906 1.858 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.515 -0.272 5.790 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.230 1.425 1.778 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.742 2.058 5.713 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.594 2.910 3.708 1.00 0.00 H new ATOM 1022 N LYS A 70 -6.520 -3.851 5.762 1.00 0.00 N ATOM 1023 CA LYS A 70 -5.617 -3.963 6.901 1.00 0.00 C ATOM 1024 C LYS A 70 -4.292 -4.594 6.484 1.00 0.00 C ATOM 1025 O LYS A 70 -3.221 -4.095 6.830 1.00 0.00 O ATOM 1026 CB LYS A 70 -6.264 -4.796 8.010 1.00 0.00 C ATOM 1027 CG LYS A 70 -7.096 -3.975 8.980 1.00 0.00 C ATOM 1028 CD LYS A 70 -8.230 -4.795 9.574 1.00 0.00 C ATOM 1029 CE LYS A 70 -7.767 -5.590 10.785 1.00 0.00 C ATOM 1030 NZ LYS A 70 -8.911 -6.024 11.634 1.00 0.00 N ATOM 0 H LYS A 70 -7.434 -4.280 5.906 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.419 -2.959 7.277 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.897 -5.559 7.557 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.483 -5.317 8.564 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.459 -3.600 9.781 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.505 -3.106 8.465 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.047 -4.133 9.862 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.623 -5.476 8.819 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.209 -6.465 10.453 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.084 -4.983 11.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.554 -6.563 12.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.429 -5.188 11.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.550 -6.625 11.075 1.00 0.00 H new ATOM 1044 N ALA A 71 -4.372 -5.691 5.739 1.00 0.00 N ATOM 1045 CA ALA A 71 -3.179 -6.387 5.273 1.00 0.00 C ATOM 1046 C ALA A 71 -2.303 -5.468 4.429 1.00 0.00 C ATOM 1047 O ALA A 71 -1.104 -5.337 4.677 1.00 0.00 O ATOM 1048 CB ALA A 71 -3.567 -7.626 4.479 1.00 0.00 C ATOM 0 H ALA A 71 -5.251 -6.117 5.445 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.603 -6.694 6.146 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.666 -8.136 4.137 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.146 -8.298 5.113 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.167 -7.333 3.618 1.00 0.00 H new ATOM 1054 N VAL A 72 -2.908 -4.834 3.430 1.00 0.00 N ATOM 1055 CA VAL A 72 -2.182 -3.927 2.549 1.00 0.00 C ATOM 1056 C VAL A 72 -1.259 -3.010 3.344 1.00 0.00 C ATOM 1057 O VAL A 72 -0.056 -2.951 3.091 1.00 0.00 O ATOM 1058 CB VAL A 72 -3.147 -3.065 1.712 1.00 0.00 C ATOM 1059 CG1 VAL A 72 -2.373 -2.065 0.867 1.00 0.00 C ATOM 1060 CG2 VAL A 72 -4.025 -3.947 0.838 1.00 0.00 C ATOM 0 H VAL A 72 -3.899 -4.932 3.210 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.585 -4.546 1.879 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.792 -2.508 2.391 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.071 -1.465 0.283 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.790 -1.413 1.518 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.702 -2.599 0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.701 -3.323 0.253 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.398 -4.532 0.165 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.607 -4.620 1.468 1.00 0.00 H new ATOM 1070 N VAL A 73 -1.831 -2.295 4.308 1.00 0.00 N ATOM 1071 CA VAL A 73 -1.060 -1.381 5.142 1.00 0.00 C ATOM 1072 C VAL A 73 0.162 -2.075 5.734 1.00 0.00 C ATOM 1073 O VAL A 73 1.295 -1.645 5.524 1.00 0.00 O ATOM 1074 CB VAL A 73 -1.916 -0.809 6.288 1.00 0.00 C ATOM 1075 CG1 VAL A 73 -1.068 0.058 7.207 1.00 0.00 C ATOM 1076 CG2 VAL A 73 -3.091 -0.019 5.731 1.00 0.00 C ATOM 0 H VAL A 73 -2.826 -2.331 4.530 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.734 -0.564 4.498 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.310 -1.640 6.874 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.690 0.453 8.010 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.263 -0.542 7.632 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.643 0.884 6.637 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.685 0.378 6.554 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.719 0.805 5.121 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.711 -0.673 5.118 1.00 0.00 H new ATOM 1086 N ASN A 74 -0.077 -3.153 6.474 1.00 0.00 N ATOM 1087 CA ASN A 74 1.004 -3.908 7.096 1.00 0.00 C ATOM 1088 C ASN A 74 2.051 -4.312 6.062 1.00 0.00 C ATOM 1089 O ASN A 74 3.246 -4.346 6.355 1.00 0.00 O ATOM 1090 CB ASN A 74 0.450 -5.154 7.790 1.00 0.00 C ATOM 1091 CG ASN A 74 -0.008 -4.871 9.208 1.00 0.00 C ATOM 1092 OD1 ASN A 74 0.801 -4.815 10.134 1.00 0.00 O ATOM 1093 ND2 ASN A 74 -1.312 -4.690 9.383 1.00 0.00 N ATOM 0 H ASN A 74 -1.010 -3.523 6.657 1.00 0.00 H new ATOM 0 HA ASN A 74 1.480 -3.268 7.838 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.387 -5.546 7.212 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.217 -5.928 7.807 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -1.679 -4.495 10.314 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.946 -4.745 8.586 1.00 0.00 H new ATOM 1100 N ALA A 75 1.593 -4.616 4.852 1.00 0.00 N ATOM 1101 CA ALA A 75 2.490 -5.014 3.774 1.00 0.00 C ATOM 1102 C ALA A 75 3.315 -3.830 3.281 1.00 0.00 C ATOM 1103 O ALA A 75 4.534 -3.795 3.453 1.00 0.00 O ATOM 1104 CB ALA A 75 1.698 -5.623 2.627 1.00 0.00 C ATOM 0 H ALA A 75 0.606 -4.594 4.594 1.00 0.00 H new ATOM 0 HA ALA A 75 3.178 -5.764 4.164 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.380 -5.916 1.829 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.158 -6.500 2.983 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.987 -4.890 2.246 1.00 0.00 H new ATOM 1110 N ARG A 76 2.643 -2.862 2.666 1.00 0.00 N ATOM 1111 CA ARG A 76 3.315 -1.677 2.146 1.00 0.00 C ATOM 1112 C ARG A 76 4.208 -1.047 3.211 1.00 0.00 C ATOM 1113 O ARG A 76 5.434 -1.068 3.101 1.00 0.00 O ATOM 1114 CB ARG A 76 2.287 -0.656 1.656 1.00 0.00 C ATOM 1115 CG ARG A 76 2.896 0.680 1.261 1.00 0.00 C ATOM 1116 CD ARG A 76 1.941 1.831 1.536 1.00 0.00 C ATOM 1117 NE ARG A 76 2.611 3.127 1.461 1.00 0.00 N ATOM 1118 CZ ARG A 76 2.176 4.216 2.085 1.00 0.00 C ATOM 1119 NH1 ARG A 76 1.078 4.165 2.827 1.00 0.00 N ATOM 1120 NH2 ARG A 76 2.840 5.358 1.969 1.00 0.00 N ATOM 0 H ARG A 76 1.634 -2.875 2.516 1.00 0.00 H new ATOM 0 HA ARG A 76 3.941 -1.983 1.307 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.755 -1.071 0.800 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.548 -0.491 2.441 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.823 0.836 1.812 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.154 0.665 0.202 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.123 1.803 0.816 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.500 1.708 2.525 1.00 0.00 H new ATOM 0 HE ARG A 76 3.459 3.200 0.899 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.565 3.288 2.920 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.746 5.003 3.305 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.686 5.401 1.400 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.505 6.194 2.449 1.00 0.00 H new ATOM 1134 N THR A 77 3.584 -0.485 4.242 1.00 0.00 N ATOM 1135 CA THR A 77 4.320 0.153 5.325 1.00 0.00 C ATOM 1136 C THR A 77 5.549 -0.663 5.710 1.00 0.00 C ATOM 1137 O THR A 77 6.635 -0.116 5.900 1.00 0.00 O ATOM 1138 CB THR A 77 3.434 0.344 6.571 1.00 0.00 C ATOM 1139 OG1 THR A 77 2.335 1.208 6.262 1.00 0.00 O ATOM 1140 CG2 THR A 77 4.238 0.929 7.722 1.00 0.00 C ATOM 0 H THR A 77 2.570 -0.459 4.349 1.00 0.00 H new ATOM 0 HA THR A 77 4.636 1.130 4.959 1.00 0.00 H new ATOM 0 HB THR A 77 3.054 -0.632 6.873 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.606 0.683 5.870 1.00 0.00 H new ATOM 0 HG21 THR A 77 3.591 1.055 8.590 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.057 0.255 7.974 1.00 0.00 H new ATOM 0 HG23 THR A 77 4.643 1.897 7.428 1.00 0.00 H new ATOM 1148 N ALA A 78 5.370 -1.975 5.824 1.00 0.00 N ATOM 1149 CA ALA A 78 6.465 -2.867 6.184 1.00 0.00 C ATOM 1150 C ALA A 78 7.562 -2.845 5.124 1.00 0.00 C ATOM 1151 O ALA A 78 8.714 -2.519 5.415 1.00 0.00 O ATOM 1152 CB ALA A 78 5.949 -4.285 6.381 1.00 0.00 C ATOM 0 H ALA A 78 4.477 -2.444 5.672 1.00 0.00 H new ATOM 0 HA ALA A 78 6.894 -2.514 7.122 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.778 -4.940 6.649 1.00 0.00 H new ATOM 0 HB2 ALA A 78 5.206 -4.294 7.179 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.493 -4.638 5.456 1.00 0.00 H new ATOM 1158 N LEU A 79 7.198 -3.193 3.895 1.00 0.00 N ATOM 1159 CA LEU A 79 8.152 -3.214 2.791 1.00 0.00 C ATOM 1160 C LEU A 79 8.985 -1.936 2.768 1.00 0.00 C ATOM 1161 O LEU A 79 10.215 -1.984 2.813 1.00 0.00 O ATOM 1162 CB LEU A 79 7.417 -3.382 1.460 1.00 0.00 C ATOM 1163 CG LEU A 79 6.638 -4.686 1.284 1.00 0.00 C ATOM 1164 CD1 LEU A 79 5.837 -4.658 -0.008 1.00 0.00 C ATOM 1165 CD2 LEU A 79 7.583 -5.879 1.302 1.00 0.00 C ATOM 0 H LEU A 79 6.249 -3.465 3.637 1.00 0.00 H new ATOM 0 HA LEU A 79 8.823 -4.060 2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.724 -2.549 1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.146 -3.306 0.653 1.00 0.00 H new ATOM 0 HG LEU A 79 5.942 -4.787 2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.289 -5.594 -0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.133 -3.826 0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.514 -4.534 -0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.011 -6.798 1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.303 -5.785 0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.113 -5.909 2.254 1.00 0.00 H new ATOM 1177 N LEU A 80 8.307 -0.796 2.698 1.00 0.00 N ATOM 1178 CA LEU A 80 8.984 0.496 2.671 1.00 0.00 C ATOM 1179 C LEU A 80 10.152 0.520 3.653 1.00 0.00 C ATOM 1180 O LEU A 80 11.256 0.942 3.311 1.00 0.00 O ATOM 1181 CB LEU A 80 7.999 1.617 3.005 1.00 0.00 C ATOM 1182 CG LEU A 80 6.824 1.787 2.041 1.00 0.00 C ATOM 1183 CD1 LEU A 80 5.881 2.873 2.536 1.00 0.00 C ATOM 1184 CD2 LEU A 80 7.325 2.111 0.641 1.00 0.00 C ATOM 0 H LEU A 80 7.289 -0.740 2.659 1.00 0.00 H new ATOM 0 HA LEU A 80 9.375 0.652 1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.601 1.438 4.004 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.549 2.557 3.045 1.00 0.00 H new ATOM 0 HG LEU A 80 6.274 0.847 2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.051 2.980 1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.496 2.600 3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.420 3.818 2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.475 2.228 -0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.899 3.037 0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.960 1.300 0.285 1.00 0.00 H new