USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 662 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 8 ASN : amide:sc= -0.0132 X(o=-0.013,f=-0.28) USER MOD Single : A 9 ASN : amide:sc= -1.88 K(o=-1.9,f=-1.3) USER MOD Single : A 12 LYS NZ :NH3+ 169:sc= 0.425 (180deg=0.366) USER MOD Single : A 15 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.129) USER MOD Single : A 16 LYS NZ :NH3+ 153:sc= 0.244 (180deg=-0.252) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 160:sc= -0.0438 (180deg=-0.26) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -172:sc= -0.389 (180deg=-0.614) USER MOD Single : A 28 GLN : amide:sc= -0.0205 X(o=-0.021,f=-0.045) USER MOD Single : A 34 GLN : amide:sc= -0.0496 K(o=-0.05,f=-0.78) USER MOD Single : A 35 SER OG : rot 180:sc= -0.896 USER MOD Single : A 37 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.6) USER MOD Single : A 42 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0243) USER MOD Single : A 45 TYR OH : rot -130:sc= 0.66 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.236 K(o=0.24,f=-4.2!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -1.46 K(o=-1.5,f=-0.069) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HE2:sc= 0.369 K(o=0.37,f=-1.2) USER MOD Single : A 76 HIS : no HD1:sc= -0.289 X(o=-0.29,f=-0.047) USER MOD Single : A 82 ASN : amide:sc= -0.475 X(o=-0.48,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N LEU A 7 10.233 13.099 -6.860 1.00 0.00 N ATOM 98 CA LEU A 7 9.445 14.332 -7.057 1.00 0.00 C ATOM 99 C LEU A 7 10.248 15.503 -6.454 1.00 0.00 C ATOM 100 O LEU A 7 10.255 15.693 -5.231 1.00 0.00 O ATOM 101 CB LEU A 7 8.033 14.144 -6.395 1.00 0.00 C ATOM 102 CG LEU A 7 6.897 15.195 -6.701 1.00 0.00 C ATOM 103 CD1 LEU A 7 5.499 14.613 -6.349 1.00 0.00 C ATOM 104 CD2 LEU A 7 7.107 16.542 -5.959 1.00 0.00 C ATOM 0 HA LEU A 7 9.272 14.550 -8.111 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.660 13.163 -6.688 1.00 0.00 H new ATOM 0 HB3 LEU A 7 8.177 14.121 -5.315 1.00 0.00 H new ATOM 0 HG LEU A 7 6.949 15.401 -7.770 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.731 15.354 -6.568 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.318 13.717 -6.942 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.467 14.359 -5.289 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.295 17.225 -6.208 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.117 16.367 -4.883 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.057 16.981 -6.264 1.00 0.00 H new ATOM 116 N ASN A 8 10.978 16.236 -7.314 1.00 0.00 N ATOM 117 CA ASN A 8 11.818 17.378 -6.902 1.00 0.00 C ATOM 118 C ASN A 8 11.046 18.691 -7.102 1.00 0.00 C ATOM 119 O ASN A 8 10.442 19.211 -6.154 1.00 0.00 O ATOM 120 CB ASN A 8 13.169 17.369 -7.680 1.00 0.00 C ATOM 121 CG ASN A 8 14.038 18.607 -7.422 1.00 0.00 C ATOM 122 OD1 ASN A 8 13.975 19.590 -8.162 1.00 0.00 O ATOM 123 ND2 ASN A 8 14.830 18.585 -6.362 1.00 0.00 N ATOM 0 H ASN A 8 11.003 16.053 -8.317 1.00 0.00 H new ATOM 0 HA ASN A 8 12.057 17.290 -5.842 1.00 0.00 H new ATOM 0 HB2 ASN A 8 13.731 16.477 -7.403 1.00 0.00 H new ATOM 0 HB3 ASN A 8 12.963 17.297 -8.748 1.00 0.00 H new ATOM 0 HD21 ASN A 8 15.408 19.396 -6.140 1.00 0.00 H new ATOM 0 HD22 ASN A 8 14.862 17.757 -5.767 1.00 0.00 H new ATOM 130 N ASN A 9 11.041 19.211 -8.344 1.00 0.00 N ATOM 131 CA ASN A 9 10.369 20.474 -8.669 1.00 0.00 C ATOM 132 C ASN A 9 8.885 20.189 -8.903 1.00 0.00 C ATOM 133 O ASN A 9 8.502 19.713 -9.973 1.00 0.00 O ATOM 134 CB ASN A 9 11.005 21.158 -9.908 1.00 0.00 C ATOM 135 CG ASN A 9 10.414 22.546 -10.192 1.00 0.00 C ATOM 136 OD1 ASN A 9 10.003 23.258 -9.275 1.00 0.00 O ATOM 137 ND2 ASN A 9 10.359 22.949 -11.454 1.00 0.00 N ATOM 0 H ASN A 9 11.499 18.769 -9.141 1.00 0.00 H new ATOM 0 HA ASN A 9 10.486 21.166 -7.835 1.00 0.00 H new ATOM 0 HB2 ASN A 9 12.080 21.251 -9.754 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.862 20.522 -10.782 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.971 23.865 -11.681 1.00 0.00 H new ATOM 0 HD22 ASN A 9 10.705 22.343 -12.198 1.00 0.00 H new ATOM 144 N GLU A 10 8.071 20.474 -7.876 1.00 0.00 N ATOM 145 CA GLU A 10 6.617 20.267 -7.895 1.00 0.00 C ATOM 146 C GLU A 10 5.958 21.016 -9.065 1.00 0.00 C ATOM 147 O GLU A 10 5.001 20.523 -9.657 1.00 0.00 O ATOM 148 CB GLU A 10 6.035 20.717 -6.535 1.00 0.00 C ATOM 149 CG GLU A 10 4.543 20.422 -6.346 1.00 0.00 C ATOM 150 CD GLU A 10 4.037 20.726 -4.932 1.00 0.00 C ATOM 151 OE1 GLU A 10 4.274 19.909 -4.015 1.00 0.00 O ATOM 152 OE2 GLU A 10 3.421 21.793 -4.719 1.00 0.00 O ATOM 0 H GLU A 10 8.411 20.861 -6.995 1.00 0.00 H new ATOM 0 HA GLU A 10 6.404 19.209 -8.046 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.592 20.226 -5.737 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.196 21.789 -6.424 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.970 21.010 -7.063 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.356 19.372 -6.573 1.00 0.00 H new ATOM 159 N GLU A 11 6.553 22.168 -9.416 1.00 0.00 N ATOM 160 CA GLU A 11 6.106 23.043 -10.512 1.00 0.00 C ATOM 161 C GLU A 11 5.931 22.268 -11.843 1.00 0.00 C ATOM 162 O GLU A 11 4.939 22.466 -12.544 1.00 0.00 O ATOM 163 CB GLU A 11 7.140 24.174 -10.699 1.00 0.00 C ATOM 164 CG GLU A 11 6.761 25.240 -11.748 1.00 0.00 C ATOM 165 CD GLU A 11 7.896 26.232 -12.064 1.00 0.00 C ATOM 166 OE1 GLU A 11 8.977 25.780 -12.505 1.00 0.00 O ATOM 167 OE2 GLU A 11 7.703 27.462 -11.912 1.00 0.00 O ATOM 0 H GLU A 11 7.378 22.525 -8.934 1.00 0.00 H new ATOM 0 HA GLU A 11 5.132 23.453 -10.246 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.292 24.669 -9.740 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.094 23.730 -10.983 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.461 24.740 -12.669 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.894 25.796 -11.391 1.00 0.00 H new ATOM 174 N LYS A 12 6.899 21.375 -12.153 1.00 0.00 N ATOM 175 CA LYS A 12 6.881 20.510 -13.370 1.00 0.00 C ATOM 176 C LYS A 12 5.563 19.710 -13.450 1.00 0.00 C ATOM 177 O LYS A 12 4.873 19.654 -14.489 1.00 0.00 O ATOM 178 CB LYS A 12 8.069 19.500 -13.314 1.00 0.00 C ATOM 179 CG LYS A 12 9.473 20.136 -13.136 1.00 0.00 C ATOM 180 CD LYS A 12 10.064 20.745 -14.427 1.00 0.00 C ATOM 181 CE LYS A 12 10.491 19.665 -15.433 1.00 0.00 C ATOM 182 NZ LYS A 12 11.048 20.234 -16.679 1.00 0.00 N ATOM 0 H LYS A 12 7.721 21.229 -11.567 1.00 0.00 H new ATOM 0 HA LYS A 12 6.969 21.153 -14.246 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.896 18.806 -12.491 1.00 0.00 H new ATOM 0 HB3 LYS A 12 8.068 18.912 -14.232 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.412 20.915 -12.376 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.158 19.376 -12.760 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.325 21.399 -14.890 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.924 21.365 -14.174 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.235 19.017 -14.970 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.631 19.040 -15.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.488 19.477 -17.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.285 20.675 -17.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.763 20.951 -16.444 1.00 0.00 H new ATOM 196 N LEU A 13 5.228 19.127 -12.297 1.00 0.00 N ATOM 197 CA LEU A 13 4.081 18.235 -12.135 1.00 0.00 C ATOM 198 C LEU A 13 2.752 19.003 -12.163 1.00 0.00 C ATOM 199 O LEU A 13 1.762 18.516 -12.719 1.00 0.00 O ATOM 200 CB LEU A 13 4.221 17.420 -10.837 1.00 0.00 C ATOM 201 CG LEU A 13 5.422 16.420 -10.786 1.00 0.00 C ATOM 202 CD1 LEU A 13 6.749 17.082 -10.362 1.00 0.00 C ATOM 203 CD2 LEU A 13 5.103 15.216 -9.901 1.00 0.00 C ATOM 0 H LEU A 13 5.756 19.265 -11.435 1.00 0.00 H new ATOM 0 HA LEU A 13 4.069 17.547 -12.981 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.316 18.115 -10.003 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.299 16.859 -10.681 1.00 0.00 H new ATOM 0 HG LEU A 13 5.567 16.071 -11.808 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.541 16.333 -10.347 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.007 17.868 -11.072 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.639 17.513 -9.367 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.957 14.539 -9.886 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.891 15.556 -8.887 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.233 14.693 -10.298 1.00 0.00 H new ATOM 215 N VAL A 14 2.752 20.201 -11.564 1.00 0.00 N ATOM 216 CA VAL A 14 1.591 21.111 -11.583 1.00 0.00 C ATOM 217 C VAL A 14 1.226 21.468 -13.034 1.00 0.00 C ATOM 218 O VAL A 14 0.068 21.347 -13.423 1.00 0.00 O ATOM 219 CB VAL A 14 1.871 22.416 -10.763 1.00 0.00 C ATOM 220 CG1 VAL A 14 0.663 23.396 -10.799 1.00 0.00 C ATOM 221 CG2 VAL A 14 2.257 22.065 -9.316 1.00 0.00 C ATOM 0 H VAL A 14 3.554 20.570 -11.052 1.00 0.00 H new ATOM 0 HA VAL A 14 0.753 20.595 -11.115 1.00 0.00 H new ATOM 0 HB VAL A 14 2.710 22.930 -11.232 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.900 24.287 -10.218 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.456 23.680 -11.831 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.214 22.908 -10.374 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.449 22.982 -8.758 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.441 21.517 -8.845 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.155 21.447 -9.319 1.00 0.00 H new ATOM 231 N LYS A 15 2.259 21.844 -13.819 1.00 0.00 N ATOM 232 CA LYS A 15 2.132 22.179 -15.253 1.00 0.00 C ATOM 233 C LYS A 15 1.475 21.041 -16.039 1.00 0.00 C ATOM 234 O LYS A 15 0.510 21.261 -16.779 1.00 0.00 O ATOM 235 CB LYS A 15 3.525 22.462 -15.865 1.00 0.00 C ATOM 236 CG LYS A 15 4.226 23.721 -15.329 1.00 0.00 C ATOM 237 CD LYS A 15 5.661 23.857 -15.884 1.00 0.00 C ATOM 238 CE LYS A 15 6.344 25.161 -15.465 1.00 0.00 C ATOM 239 NZ LYS A 15 5.635 26.357 -15.985 1.00 0.00 N ATOM 0 H LYS A 15 3.214 21.924 -13.471 1.00 0.00 H new ATOM 0 HA LYS A 15 1.504 23.067 -15.322 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.168 21.601 -15.682 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.418 22.556 -16.946 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.646 24.603 -15.600 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.259 23.683 -14.240 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.259 23.013 -15.540 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.630 23.803 -16.972 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.390 25.212 -14.377 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.372 25.164 -15.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.225 27.201 -15.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.449 26.236 -17.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.734 26.474 -15.479 1.00 0.00 H new ATOM 253 N LYS A 16 2.010 19.818 -15.852 1.00 0.00 N ATOM 254 CA LYS A 16 1.516 18.625 -16.562 1.00 0.00 C ATOM 255 C LYS A 16 0.090 18.261 -16.115 1.00 0.00 C ATOM 256 O LYS A 16 -0.694 17.745 -16.904 1.00 0.00 O ATOM 257 CB LYS A 16 2.474 17.433 -16.361 1.00 0.00 C ATOM 258 CG LYS A 16 2.205 16.200 -17.269 1.00 0.00 C ATOM 259 CD LYS A 16 2.306 16.540 -18.777 1.00 0.00 C ATOM 260 CE LYS A 16 3.722 16.980 -19.208 1.00 0.00 C ATOM 261 NZ LYS A 16 3.747 17.473 -20.609 1.00 0.00 N ATOM 0 H LYS A 16 2.784 19.632 -15.215 1.00 0.00 H new ATOM 0 HA LYS A 16 1.482 18.860 -17.626 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.494 17.775 -16.535 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.418 17.115 -15.320 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.920 15.413 -17.029 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.212 15.805 -17.055 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.010 15.668 -19.360 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.598 17.335 -19.012 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.077 17.765 -18.541 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.410 16.140 -19.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.526 18.153 -20.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.888 16.672 -21.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.844 17.941 -20.829 1.00 0.00 H new ATOM 275 N ALA A 17 -0.241 18.569 -14.855 1.00 0.00 N ATOM 276 CA ALA A 17 -1.595 18.366 -14.314 1.00 0.00 C ATOM 277 C ALA A 17 -2.572 19.411 -14.884 1.00 0.00 C ATOM 278 O ALA A 17 -3.763 19.139 -15.008 1.00 0.00 O ATOM 279 CB ALA A 17 -1.568 18.406 -12.785 1.00 0.00 C ATOM 0 H ALA A 17 0.417 18.964 -14.183 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.949 17.382 -14.620 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.576 18.254 -12.399 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.914 17.618 -12.412 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.194 19.375 -12.453 1.00 0.00 H new ATOM 285 N LEU A 18 -2.047 20.606 -15.235 1.00 0.00 N ATOM 286 CA LEU A 18 -2.836 21.657 -15.920 1.00 0.00 C ATOM 287 C LEU A 18 -3.141 21.226 -17.362 1.00 0.00 C ATOM 288 O LEU A 18 -4.219 21.513 -17.888 1.00 0.00 O ATOM 289 CB LEU A 18 -2.106 23.032 -15.931 1.00 0.00 C ATOM 290 CG LEU A 18 -1.699 23.629 -14.549 1.00 0.00 C ATOM 291 CD1 LEU A 18 -1.037 25.018 -14.695 1.00 0.00 C ATOM 292 CD2 LEU A 18 -2.888 23.669 -13.577 1.00 0.00 C ATOM 0 H LEU A 18 -1.078 20.868 -15.055 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.764 21.780 -15.361 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.204 22.932 -16.535 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.749 23.753 -16.435 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.952 22.961 -14.120 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.769 25.399 -13.709 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.139 24.931 -15.307 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.736 25.706 -15.172 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.566 24.091 -12.625 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.681 24.287 -13.998 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.262 22.658 -13.418 1.00 0.00 H new ATOM 304 N GLU A 19 -2.169 20.535 -17.985 1.00 0.00 N ATOM 305 CA GLU A 19 -2.299 20.017 -19.358 1.00 0.00 C ATOM 306 C GLU A 19 -3.331 18.878 -19.426 1.00 0.00 C ATOM 307 O GLU A 19 -4.314 18.964 -20.166 1.00 0.00 O ATOM 308 CB GLU A 19 -0.926 19.523 -19.870 1.00 0.00 C ATOM 309 CG GLU A 19 0.165 20.615 -19.930 1.00 0.00 C ATOM 310 CD GLU A 19 1.547 20.069 -20.315 1.00 0.00 C ATOM 311 OE1 GLU A 19 1.697 19.547 -21.436 1.00 0.00 O ATOM 312 OE2 GLU A 19 2.488 20.134 -19.491 1.00 0.00 O ATOM 0 H GLU A 19 -1.272 20.320 -17.550 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.649 20.829 -19.996 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.580 18.716 -19.224 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.054 19.100 -20.866 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.132 21.376 -20.651 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.233 21.105 -18.959 1.00 0.00 H new ATOM 319 N ILE A 20 -3.092 17.826 -18.627 1.00 0.00 N ATOM 320 CA ILE A 20 -3.933 16.625 -18.602 1.00 0.00 C ATOM 321 C ILE A 20 -5.302 16.964 -17.990 1.00 0.00 C ATOM 322 O ILE A 20 -6.315 16.795 -18.644 1.00 0.00 O ATOM 323 CB ILE A 20 -3.240 15.439 -17.826 1.00 0.00 C ATOM 324 CG1 ILE A 20 -1.794 15.163 -18.373 1.00 0.00 C ATOM 325 CG2 ILE A 20 -4.101 14.151 -17.881 1.00 0.00 C ATOM 326 CD1 ILE A 20 -1.710 14.805 -19.846 1.00 0.00 C ATOM 0 H ILE A 20 -2.306 17.787 -17.978 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.077 16.287 -19.628 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.152 15.743 -16.783 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.183 16.048 -18.197 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.354 14.351 -17.794 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.596 13.352 -17.337 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.072 14.343 -17.425 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.241 13.851 -18.919 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.669 14.635 -20.120 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.288 13.900 -20.034 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.113 15.623 -20.443 1.00 0.00 H new ATOM 338 N GLY A 21 -5.303 17.518 -16.770 1.00 0.00 N ATOM 339 CA GLY A 21 -6.546 17.887 -16.071 1.00 0.00 C ATOM 340 C GLY A 21 -7.350 18.965 -16.803 1.00 0.00 C ATOM 341 O GLY A 21 -8.586 18.971 -16.747 1.00 0.00 O ATOM 0 H GLY A 21 -4.454 17.722 -16.243 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.166 16.998 -15.951 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.301 18.242 -15.070 1.00 0.00 H new ATOM 345 N GLY A 22 -6.636 19.874 -17.501 1.00 0.00 N ATOM 346 CA GLY A 22 -7.271 20.916 -18.312 1.00 0.00 C ATOM 347 C GLY A 22 -8.006 20.362 -19.530 1.00 0.00 C ATOM 348 O GLY A 22 -9.180 20.691 -19.753 1.00 0.00 O ATOM 0 H GLY A 22 -5.616 19.901 -17.514 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.975 21.472 -17.692 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.511 21.623 -18.644 1.00 0.00 H new ATOM 352 N LYS A 23 -7.318 19.496 -20.309 1.00 0.00 N ATOM 353 CA LYS A 23 -7.902 18.873 -21.518 1.00 0.00 C ATOM 354 C LYS A 23 -9.007 17.874 -21.126 1.00 0.00 C ATOM 355 O LYS A 23 -9.979 17.729 -21.840 1.00 0.00 O ATOM 356 CB LYS A 23 -6.832 18.155 -22.394 1.00 0.00 C ATOM 357 CG LYS A 23 -6.208 16.900 -21.753 1.00 0.00 C ATOM 358 CD LYS A 23 -5.431 16.020 -22.748 1.00 0.00 C ATOM 359 CE LYS A 23 -4.891 14.742 -22.090 1.00 0.00 C ATOM 360 NZ LYS A 23 -4.145 13.895 -23.051 1.00 0.00 N ATOM 0 H LYS A 23 -6.356 19.213 -20.121 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.328 19.680 -22.114 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.289 17.872 -23.342 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.036 18.863 -22.623 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.536 17.208 -20.952 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.998 16.305 -21.295 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.083 15.751 -23.579 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.601 16.591 -23.165 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.238 15.010 -21.260 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.720 14.171 -21.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.798 13.043 -22.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.775 13.617 -23.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.338 14.430 -23.431 1.00 0.00 H new ATOM 374 N MET A 24 -8.835 17.204 -19.973 1.00 0.00 N ATOM 375 CA MET A 24 -9.799 16.214 -19.454 1.00 0.00 C ATOM 376 C MET A 24 -11.116 16.901 -19.070 1.00 0.00 C ATOM 377 O MET A 24 -12.196 16.394 -19.383 1.00 0.00 O ATOM 378 CB MET A 24 -9.208 15.456 -18.239 1.00 0.00 C ATOM 379 CG MET A 24 -8.183 14.368 -18.576 1.00 0.00 C ATOM 380 SD MET A 24 -7.392 13.659 -17.103 1.00 0.00 S ATOM 381 CE MET A 24 -8.782 13.039 -16.155 1.00 0.00 C ATOM 0 H MET A 24 -8.021 17.333 -19.372 1.00 0.00 H new ATOM 0 HA MET A 24 -10.002 15.488 -20.242 1.00 0.00 H new ATOM 0 HB2 MET A 24 -8.738 16.181 -17.574 1.00 0.00 H new ATOM 0 HB3 MET A 24 -10.027 14.999 -17.684 1.00 0.00 H new ATOM 0 HG2 MET A 24 -8.676 13.573 -19.135 1.00 0.00 H new ATOM 0 HG3 MET A 24 -7.416 14.788 -19.227 1.00 0.00 H new ATOM 0 HE1 MET A 24 -8.432 12.294 -15.441 1.00 0.00 H new ATOM 0 HE2 MET A 24 -9.253 13.863 -15.619 1.00 0.00 H new ATOM 0 HE3 MET A 24 -9.507 12.583 -16.829 1.00 0.00 H new ATOM 391 N ALA A 25 -10.998 18.061 -18.393 1.00 0.00 N ATOM 392 CA ALA A 25 -12.150 18.923 -18.064 1.00 0.00 C ATOM 393 C ALA A 25 -12.853 19.378 -19.348 1.00 0.00 C ATOM 394 O ALA A 25 -14.078 19.290 -19.470 1.00 0.00 O ATOM 395 CB ALA A 25 -11.700 20.137 -17.234 1.00 0.00 C ATOM 0 H ALA A 25 -10.105 18.425 -18.060 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.856 18.346 -17.466 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.564 20.760 -17.002 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.241 19.794 -16.307 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.976 20.719 -17.804 1.00 0.00 H new ATOM 401 N LYS A 26 -12.040 19.811 -20.318 1.00 0.00 N ATOM 402 CA LYS A 26 -12.524 20.290 -21.616 1.00 0.00 C ATOM 403 C LYS A 26 -13.372 19.213 -22.323 1.00 0.00 C ATOM 404 O LYS A 26 -14.512 19.479 -22.706 1.00 0.00 O ATOM 405 CB LYS A 26 -11.334 20.740 -22.495 1.00 0.00 C ATOM 406 CG LYS A 26 -11.724 21.432 -23.825 1.00 0.00 C ATOM 407 CD LYS A 26 -10.491 21.946 -24.604 1.00 0.00 C ATOM 408 CE LYS A 26 -9.661 22.959 -23.792 1.00 0.00 C ATOM 409 NZ LYS A 26 -8.456 23.416 -24.530 1.00 0.00 N ATOM 0 H LYS A 26 -11.025 19.839 -20.224 1.00 0.00 H new ATOM 0 HA LYS A 26 -13.170 21.152 -21.450 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.713 21.424 -21.916 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.721 19.868 -22.723 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.278 20.730 -24.448 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.392 22.267 -23.615 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.860 21.101 -24.878 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.820 22.412 -25.533 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.282 23.820 -23.545 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.357 22.504 -22.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.928 24.096 -23.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.849 22.599 -24.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.746 23.874 -25.418 1.00 0.00 H new ATOM 423 N MET A 27 -12.819 17.989 -22.397 1.00 0.00 N ATOM 424 CA MET A 27 -13.477 16.812 -23.018 1.00 0.00 C ATOM 425 C MET A 27 -14.735 16.355 -22.241 1.00 0.00 C ATOM 426 O MET A 27 -15.666 15.803 -22.837 1.00 0.00 O ATOM 427 CB MET A 27 -12.475 15.635 -23.135 1.00 0.00 C ATOM 428 CG MET A 27 -11.288 15.900 -24.083 1.00 0.00 C ATOM 429 SD MET A 27 -10.163 14.490 -24.248 1.00 0.00 S ATOM 430 CE MET A 27 -9.489 14.301 -22.597 1.00 0.00 C ATOM 0 H MET A 27 -11.892 17.781 -22.025 1.00 0.00 H new ATOM 0 HA MET A 27 -13.802 17.120 -24.012 1.00 0.00 H new ATOM 0 HB2 MET A 27 -12.087 15.404 -22.143 1.00 0.00 H new ATOM 0 HB3 MET A 27 -13.011 14.751 -23.482 1.00 0.00 H new ATOM 0 HG2 MET A 27 -11.673 16.164 -25.068 1.00 0.00 H new ATOM 0 HG3 MET A 27 -10.727 16.761 -23.718 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.687 13.563 -22.614 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.095 15.257 -22.253 1.00 0.00 H new ATOM 0 HE3 MET A 27 -10.275 13.967 -21.919 1.00 0.00 H new ATOM 440 N GLN A 28 -14.743 16.565 -20.909 1.00 0.00 N ATOM 441 CA GLN A 28 -15.946 16.357 -20.063 1.00 0.00 C ATOM 442 C GLN A 28 -17.038 17.388 -20.418 1.00 0.00 C ATOM 443 O GLN A 28 -18.231 17.145 -20.200 1.00 0.00 O ATOM 444 CB GLN A 28 -15.575 16.442 -18.555 1.00 0.00 C ATOM 445 CG GLN A 28 -14.861 15.199 -17.987 1.00 0.00 C ATOM 446 CD GLN A 28 -15.786 13.987 -17.860 1.00 0.00 C ATOM 447 OE1 GLN A 28 -15.915 13.175 -18.783 1.00 0.00 O ATOM 448 NE2 GLN A 28 -16.439 13.855 -16.710 1.00 0.00 N ATOM 0 H GLN A 28 -13.925 16.881 -20.388 1.00 0.00 H new ATOM 0 HA GLN A 28 -16.340 15.360 -20.259 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.935 17.311 -18.402 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.486 16.612 -17.981 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.021 14.942 -18.632 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.449 15.439 -17.007 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -16.310 14.543 -15.968 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -17.069 13.065 -16.569 1.00 0.00 H new ATOM 457 N GLY A 29 -16.604 18.542 -20.947 1.00 0.00 N ATOM 458 CA GLY A 29 -17.507 19.558 -21.504 1.00 0.00 C ATOM 459 C GLY A 29 -17.355 20.883 -20.794 1.00 0.00 C ATOM 460 O GLY A 29 -18.345 21.545 -20.471 1.00 0.00 O ATOM 0 H GLY A 29 -15.618 18.796 -21.000 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.300 19.687 -22.566 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.538 19.215 -21.420 1.00 0.00 H new ATOM 464 N PHE A 30 -16.090 21.274 -20.553 1.00 0.00 N ATOM 465 CA PHE A 30 -15.757 22.491 -19.765 1.00 0.00 C ATOM 466 C PHE A 30 -14.676 23.318 -20.483 1.00 0.00 C ATOM 467 O PHE A 30 -14.276 22.992 -21.605 1.00 0.00 O ATOM 468 CB PHE A 30 -15.284 22.107 -18.327 1.00 0.00 C ATOM 469 CG PHE A 30 -16.325 21.340 -17.505 1.00 0.00 C ATOM 470 CD1 PHE A 30 -17.392 22.009 -16.907 1.00 0.00 C ATOM 471 CD2 PHE A 30 -16.242 19.958 -17.334 1.00 0.00 C ATOM 472 CE1 PHE A 30 -18.340 21.318 -16.176 1.00 0.00 C ATOM 473 CE2 PHE A 30 -17.189 19.272 -16.603 1.00 0.00 C ATOM 474 CZ PHE A 30 -18.237 19.953 -16.020 1.00 0.00 C ATOM 0 H PHE A 30 -15.273 20.766 -20.892 1.00 0.00 H new ATOM 0 HA PHE A 30 -16.658 23.098 -19.678 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.381 21.502 -18.404 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -15.013 23.017 -17.791 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -17.479 23.080 -17.016 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -15.422 19.416 -17.782 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -19.165 21.850 -15.725 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -17.110 18.201 -16.487 1.00 0.00 H new ATOM 0 HZ PHE A 30 -18.976 19.417 -15.442 1.00 0.00 H new ATOM 484 N ASP A 31 -14.237 24.400 -19.822 1.00 0.00 N ATOM 485 CA ASP A 31 -13.122 25.242 -20.271 1.00 0.00 C ATOM 486 C ASP A 31 -12.588 26.006 -19.054 1.00 0.00 C ATOM 487 O ASP A 31 -13.300 26.840 -18.477 1.00 0.00 O ATOM 488 CB ASP A 31 -13.578 26.219 -21.386 1.00 0.00 C ATOM 489 CG ASP A 31 -12.441 27.118 -21.903 1.00 0.00 C ATOM 490 OD1 ASP A 31 -11.515 26.595 -22.558 1.00 0.00 O ATOM 491 OD2 ASP A 31 -12.474 28.350 -21.673 1.00 0.00 O ATOM 0 H ASP A 31 -14.654 24.718 -18.947 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.333 24.622 -20.697 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.987 25.646 -22.218 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.384 26.846 -21.004 1.00 0.00 H new ATOM 496 N LEU A 32 -11.356 25.685 -18.640 1.00 0.00 N ATOM 497 CA LEU A 32 -10.724 26.277 -17.449 1.00 0.00 C ATOM 498 C LEU A 32 -10.040 27.611 -17.823 1.00 0.00 C ATOM 499 O LEU A 32 -9.380 27.675 -18.869 1.00 0.00 O ATOM 500 CB LEU A 32 -9.716 25.266 -16.832 1.00 0.00 C ATOM 501 CG LEU A 32 -10.291 23.843 -16.511 1.00 0.00 C ATOM 502 CD1 LEU A 32 -9.238 22.947 -15.826 1.00 0.00 C ATOM 503 CD2 LEU A 32 -11.586 23.925 -15.667 1.00 0.00 C ATOM 0 H LEU A 32 -10.766 25.006 -19.121 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.484 26.494 -16.698 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.877 25.152 -17.519 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.319 25.693 -15.911 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.549 23.382 -17.464 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.672 21.969 -15.619 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.377 22.830 -16.484 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.920 23.409 -14.891 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.953 22.919 -15.466 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.375 24.430 -14.724 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.343 24.485 -16.216 1.00 0.00 H new ATOM 515 N PRO A 33 -10.208 28.697 -16.986 1.00 0.00 N ATOM 516 CA PRO A 33 -9.693 30.056 -17.302 1.00 0.00 C ATOM 517 C PRO A 33 -8.150 30.115 -17.361 1.00 0.00 C ATOM 518 O PRO A 33 -7.479 29.828 -16.372 1.00 0.00 O ATOM 519 CB PRO A 33 -10.246 30.937 -16.145 1.00 0.00 C ATOM 520 CG PRO A 33 -11.337 30.121 -15.514 1.00 0.00 C ATOM 521 CD PRO A 33 -10.910 28.685 -15.673 1.00 0.00 C ATOM 0 HA PRO A 33 -10.012 30.389 -18.290 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.465 31.174 -15.423 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.631 31.885 -16.521 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.462 30.379 -14.462 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.295 30.302 -16.002 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.252 28.366 -14.865 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.763 28.007 -15.676 1.00 0.00 H new ATOM 529 N GLN A 34 -7.604 30.523 -18.525 1.00 0.00 N ATOM 530 CA GLN A 34 -6.153 30.471 -18.814 1.00 0.00 C ATOM 531 C GLN A 34 -5.439 31.799 -18.473 1.00 0.00 C ATOM 532 O GLN A 34 -4.322 31.785 -17.936 1.00 0.00 O ATOM 533 CB GLN A 34 -5.932 30.111 -20.310 1.00 0.00 C ATOM 534 CG GLN A 34 -6.548 28.766 -20.744 1.00 0.00 C ATOM 535 CD GLN A 34 -5.970 27.558 -20.002 1.00 0.00 C ATOM 536 OE1 GLN A 34 -6.463 27.153 -18.946 1.00 0.00 O ATOM 537 NE2 GLN A 34 -4.899 26.979 -20.533 1.00 0.00 N ATOM 0 H GLN A 34 -8.158 30.899 -19.295 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.716 29.701 -18.179 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.353 30.905 -20.927 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.861 30.086 -20.510 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.625 28.800 -20.581 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.391 28.633 -21.814 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.509 27.332 -21.407 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.466 26.182 -20.067 1.00 0.00 H new ATOM 546 N SER A 35 -6.100 32.941 -18.767 1.00 0.00 N ATOM 547 CA SER A 35 -5.467 34.284 -18.700 1.00 0.00 C ATOM 548 C SER A 35 -5.085 34.767 -17.257 1.00 0.00 C ATOM 549 O SER A 35 -4.010 35.364 -17.115 1.00 0.00 O ATOM 550 CB SER A 35 -6.333 35.347 -19.439 1.00 0.00 C ATOM 551 OG SER A 35 -7.661 35.404 -18.940 1.00 0.00 O ATOM 0 H SER A 35 -7.078 32.962 -19.055 1.00 0.00 H new ATOM 0 HA SER A 35 -4.514 34.172 -19.217 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.867 36.327 -19.336 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.357 35.116 -20.504 1.00 0.00 H new ATOM 0 HG SER A 35 -8.166 36.085 -19.432 1.00 0.00 H new ATOM 557 N PRO A 36 -5.924 34.564 -16.158 1.00 0.00 N ATOM 558 CA PRO A 36 -5.531 35.010 -14.788 1.00 0.00 C ATOM 559 C PRO A 36 -4.240 34.338 -14.279 1.00 0.00 C ATOM 560 O PRO A 36 -3.382 35.023 -13.697 1.00 0.00 O ATOM 561 CB PRO A 36 -6.755 34.634 -13.904 1.00 0.00 C ATOM 562 CG PRO A 36 -7.895 34.535 -14.871 1.00 0.00 C ATOM 563 CD PRO A 36 -7.298 33.967 -16.140 1.00 0.00 C ATOM 0 HA PRO A 36 -5.299 36.075 -14.767 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -6.594 33.691 -13.382 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -6.944 35.391 -13.143 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -8.683 33.889 -14.484 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -8.343 35.512 -15.051 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.265 32.878 -16.119 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -7.874 34.252 -17.020 1.00 0.00 H new ATOM 571 N GLN A 37 -4.167 32.998 -14.520 1.00 0.00 N ATOM 572 CA GLN A 37 -3.022 32.071 -14.241 1.00 0.00 C ATOM 573 C GLN A 37 -3.287 31.142 -12.997 1.00 0.00 C ATOM 574 O GLN A 37 -3.416 29.930 -13.201 1.00 0.00 O ATOM 575 CB GLN A 37 -1.606 32.765 -14.212 1.00 0.00 C ATOM 576 CG GLN A 37 -0.366 31.832 -14.327 1.00 0.00 C ATOM 577 CD GLN A 37 -0.004 31.034 -13.060 1.00 0.00 C ATOM 578 OE1 GLN A 37 -0.213 31.497 -11.936 1.00 0.00 O ATOM 579 NE2 GLN A 37 0.512 29.826 -13.237 1.00 0.00 N ATOM 0 H GLN A 37 -4.953 32.502 -14.940 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.974 31.416 -15.111 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.565 33.487 -15.027 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.523 33.328 -13.283 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.540 31.127 -15.140 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.495 32.438 -14.610 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.672 29.473 -14.180 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.749 29.249 -12.430 1.00 0.00 H new ATOM 588 N PRO A 38 -3.373 31.643 -11.693 1.00 0.00 N ATOM 589 CA PRO A 38 -3.514 30.743 -10.490 1.00 0.00 C ATOM 590 C PRO A 38 -4.838 29.958 -10.483 1.00 0.00 C ATOM 591 O PRO A 38 -4.928 28.867 -9.910 1.00 0.00 O ATOM 592 CB PRO A 38 -3.442 31.732 -9.295 1.00 0.00 C ATOM 593 CG PRO A 38 -3.936 33.019 -9.874 1.00 0.00 C ATOM 594 CD PRO A 38 -3.348 33.072 -11.255 1.00 0.00 C ATOM 0 HA PRO A 38 -2.745 29.971 -10.465 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.064 31.402 -8.463 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.425 31.828 -8.914 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.025 33.045 -9.907 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.615 33.871 -9.275 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.935 33.707 -11.918 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.334 33.472 -11.246 1.00 0.00 H new ATOM 602 N VAL A 39 -5.849 30.524 -11.151 1.00 0.00 N ATOM 603 CA VAL A 39 -7.190 29.932 -11.243 1.00 0.00 C ATOM 604 C VAL A 39 -7.170 28.610 -12.026 1.00 0.00 C ATOM 605 O VAL A 39 -8.041 27.779 -11.814 1.00 0.00 O ATOM 606 CB VAL A 39 -8.201 30.922 -11.903 1.00 0.00 C ATOM 607 CG1 VAL A 39 -8.317 32.227 -11.079 1.00 0.00 C ATOM 608 CG2 VAL A 39 -7.802 31.217 -13.368 1.00 0.00 C ATOM 0 H VAL A 39 -5.760 31.411 -11.646 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.516 29.725 -10.224 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.183 30.449 -11.912 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.027 32.899 -11.560 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.664 31.992 -10.073 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.341 32.710 -11.023 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.520 31.909 -13.808 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.807 31.662 -13.392 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.797 30.288 -13.938 1.00 0.00 H new ATOM 618 N ARG A 40 -6.168 28.436 -12.927 1.00 0.00 N ATOM 619 CA ARG A 40 -5.976 27.173 -13.681 1.00 0.00 C ATOM 620 C ARG A 40 -5.730 26.020 -12.699 1.00 0.00 C ATOM 621 O ARG A 40 -6.380 24.982 -12.770 1.00 0.00 O ATOM 622 CB ARG A 40 -4.765 27.255 -14.658 1.00 0.00 C ATOM 623 CG ARG A 40 -4.845 28.358 -15.727 1.00 0.00 C ATOM 624 CD ARG A 40 -3.701 28.274 -16.752 1.00 0.00 C ATOM 625 NE ARG A 40 -3.731 26.986 -17.476 1.00 0.00 N ATOM 626 CZ ARG A 40 -2.666 26.315 -17.932 1.00 0.00 C ATOM 627 NH1 ARG A 40 -1.436 26.807 -17.799 1.00 0.00 N ATOM 628 NH2 ARG A 40 -2.844 25.141 -18.530 1.00 0.00 N ATOM 0 H ARG A 40 -5.481 29.157 -13.148 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.881 27.002 -14.265 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.859 27.407 -14.072 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.662 26.294 -15.161 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.800 28.286 -16.247 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.821 29.333 -15.240 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.784 29.096 -17.463 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.744 28.387 -16.244 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.647 26.570 -17.644 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.294 27.709 -17.344 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.636 26.282 -18.152 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.784 24.761 -18.637 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.040 24.621 -18.881 1.00 0.00 H new ATOM 642 N VAL A 41 -4.803 26.277 -11.763 1.00 0.00 N ATOM 643 CA VAL A 41 -4.343 25.309 -10.754 1.00 0.00 C ATOM 644 C VAL A 41 -5.519 24.826 -9.874 1.00 0.00 C ATOM 645 O VAL A 41 -5.777 23.615 -9.749 1.00 0.00 O ATOM 646 CB VAL A 41 -3.191 25.957 -9.888 1.00 0.00 C ATOM 647 CG1 VAL A 41 -2.718 25.023 -8.764 1.00 0.00 C ATOM 648 CG2 VAL A 41 -2.001 26.380 -10.793 1.00 0.00 C ATOM 0 H VAL A 41 -4.342 27.184 -11.685 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.942 24.429 -11.257 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.602 26.847 -9.412 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.926 25.510 -8.195 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.554 24.798 -8.102 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.338 24.097 -9.196 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.217 26.824 -10.179 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.606 25.504 -11.308 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.344 27.109 -11.528 1.00 0.00 H new ATOM 658 N LYS A 42 -6.266 25.801 -9.339 1.00 0.00 N ATOM 659 CA LYS A 42 -7.395 25.552 -8.421 1.00 0.00 C ATOM 660 C LYS A 42 -8.586 24.913 -9.184 1.00 0.00 C ATOM 661 O LYS A 42 -9.304 24.070 -8.632 1.00 0.00 O ATOM 662 CB LYS A 42 -7.772 26.894 -7.703 1.00 0.00 C ATOM 663 CG LYS A 42 -8.531 26.763 -6.346 1.00 0.00 C ATOM 664 CD LYS A 42 -10.037 26.436 -6.488 1.00 0.00 C ATOM 665 CE LYS A 42 -10.820 27.529 -7.247 1.00 0.00 C ATOM 666 NZ LYS A 42 -10.796 28.832 -6.533 1.00 0.00 N ATOM 0 H LYS A 42 -6.107 26.790 -9.529 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.110 24.833 -7.652 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.856 27.458 -7.529 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.386 27.485 -8.383 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.056 25.983 -5.751 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.424 27.696 -5.792 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.150 25.486 -7.011 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.471 26.308 -5.496 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.394 27.654 -8.243 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.853 27.208 -7.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.403 29.513 -7.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.147 28.703 -5.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.821 29.194 -6.503 1.00 0.00 H new ATOM 680 N ALA A 43 -8.761 25.297 -10.462 1.00 0.00 N ATOM 681 CA ALA A 43 -9.843 24.766 -11.329 1.00 0.00 C ATOM 682 C ALA A 43 -9.620 23.283 -11.678 1.00 0.00 C ATOM 683 O ALA A 43 -10.565 22.483 -11.659 1.00 0.00 O ATOM 684 CB ALA A 43 -9.962 25.589 -12.617 1.00 0.00 C ATOM 0 H ALA A 43 -8.163 25.980 -10.926 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.772 24.846 -10.765 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.761 25.182 -13.237 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.189 26.625 -12.367 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.020 25.546 -13.165 1.00 0.00 H new ATOM 690 N VAL A 44 -8.354 22.941 -12.004 1.00 0.00 N ATOM 691 CA VAL A 44 -7.939 21.551 -12.291 1.00 0.00 C ATOM 692 C VAL A 44 -8.183 20.676 -11.052 1.00 0.00 C ATOM 693 O VAL A 44 -8.746 19.593 -11.168 1.00 0.00 O ATOM 694 CB VAL A 44 -6.427 21.464 -12.746 1.00 0.00 C ATOM 695 CG1 VAL A 44 -5.935 20.001 -12.844 1.00 0.00 C ATOM 696 CG2 VAL A 44 -6.220 22.176 -14.101 1.00 0.00 C ATOM 0 H VAL A 44 -7.594 23.618 -12.075 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.541 21.183 -13.122 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.836 21.968 -11.981 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.892 19.988 -13.160 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.025 19.521 -11.870 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.541 19.461 -13.572 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.173 22.103 -14.394 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.843 21.702 -14.860 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.498 23.226 -14.007 1.00 0.00 H new ATOM 706 N TYR A 45 -7.796 21.203 -9.874 1.00 0.00 N ATOM 707 CA TYR A 45 -8.064 20.568 -8.568 1.00 0.00 C ATOM 708 C TYR A 45 -9.562 20.223 -8.403 1.00 0.00 C ATOM 709 O TYR A 45 -9.896 19.066 -8.135 1.00 0.00 O ATOM 710 CB TYR A 45 -7.570 21.497 -7.425 1.00 0.00 C ATOM 711 CG TYR A 45 -8.180 21.229 -6.044 1.00 0.00 C ATOM 712 CD1 TYR A 45 -7.707 20.205 -5.218 1.00 0.00 C ATOM 713 CD2 TYR A 45 -9.253 21.998 -5.575 1.00 0.00 C ATOM 714 CE1 TYR A 45 -8.290 19.958 -3.985 1.00 0.00 C ATOM 715 CE2 TYR A 45 -9.825 21.756 -4.354 1.00 0.00 C ATOM 716 CZ TYR A 45 -9.346 20.740 -3.564 1.00 0.00 C ATOM 717 OH TYR A 45 -9.950 20.499 -2.355 1.00 0.00 O ATOM 0 H TYR A 45 -7.287 22.084 -9.801 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.515 19.627 -8.519 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.487 21.404 -7.348 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.783 22.529 -7.702 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.876 19.598 -5.545 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.637 22.799 -6.189 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.921 19.160 -3.359 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.651 22.363 -4.013 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.921 20.451 -2.478 1.00 0.00 H new ATOM 727 N LEU A 46 -10.441 21.238 -8.583 1.00 0.00 N ATOM 728 CA LEU A 46 -11.909 21.084 -8.412 1.00 0.00 C ATOM 729 C LEU A 46 -12.458 19.992 -9.336 1.00 0.00 C ATOM 730 O LEU A 46 -13.262 19.145 -8.913 1.00 0.00 O ATOM 731 CB LEU A 46 -12.654 22.422 -8.682 1.00 0.00 C ATOM 732 CG LEU A 46 -12.424 23.562 -7.643 1.00 0.00 C ATOM 733 CD1 LEU A 46 -13.238 24.817 -8.016 1.00 0.00 C ATOM 734 CD2 LEU A 46 -12.745 23.093 -6.204 1.00 0.00 C ATOM 0 H LEU A 46 -10.157 22.181 -8.849 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.084 20.792 -7.376 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.355 22.788 -9.664 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.723 22.215 -8.732 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.367 23.826 -7.669 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.061 25.598 -7.277 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.930 25.172 -9.000 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -14.299 24.570 -8.036 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.573 23.913 -5.507 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.788 22.781 -6.147 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.100 22.254 -5.942 1.00 0.00 H new ATOM 746 N PHE A 47 -11.980 20.012 -10.587 1.00 0.00 N ATOM 747 CA PHE A 47 -12.331 19.019 -11.605 1.00 0.00 C ATOM 748 C PHE A 47 -11.924 17.596 -11.145 1.00 0.00 C ATOM 749 O PHE A 47 -12.725 16.669 -11.229 1.00 0.00 O ATOM 750 CB PHE A 47 -11.672 19.381 -12.974 1.00 0.00 C ATOM 751 CG PHE A 47 -11.568 18.198 -13.937 1.00 0.00 C ATOM 752 CD1 PHE A 47 -12.713 17.594 -14.461 1.00 0.00 C ATOM 753 CD2 PHE A 47 -10.326 17.643 -14.255 1.00 0.00 C ATOM 754 CE1 PHE A 47 -12.616 16.480 -15.268 1.00 0.00 C ATOM 755 CE2 PHE A 47 -10.235 16.542 -15.070 1.00 0.00 C ATOM 756 CZ PHE A 47 -11.382 15.954 -15.572 1.00 0.00 C ATOM 0 H PHE A 47 -11.333 20.726 -10.922 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.413 19.029 -11.740 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -12.251 20.174 -13.448 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -10.674 19.780 -12.793 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -13.685 18.004 -14.232 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.426 18.086 -13.855 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.510 16.020 -15.662 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.267 16.134 -15.320 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.309 15.081 -16.203 1.00 0.00 H new ATOM 766 N LEU A 48 -10.677 17.449 -10.671 1.00 0.00 N ATOM 767 CA LEU A 48 -10.115 16.142 -10.278 1.00 0.00 C ATOM 768 C LEU A 48 -10.842 15.550 -9.049 1.00 0.00 C ATOM 769 O LEU A 48 -11.053 14.341 -8.982 1.00 0.00 O ATOM 770 CB LEU A 48 -8.600 16.264 -9.995 1.00 0.00 C ATOM 771 CG LEU A 48 -7.686 16.649 -11.195 1.00 0.00 C ATOM 772 CD1 LEU A 48 -6.217 16.750 -10.750 1.00 0.00 C ATOM 773 CD2 LEU A 48 -7.846 15.673 -12.379 1.00 0.00 C ATOM 0 H LEU A 48 -10.030 18.228 -10.549 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.266 15.459 -11.114 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.461 17.008 -9.211 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.252 15.311 -9.596 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.004 17.630 -11.548 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.596 17.020 -11.604 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.123 17.513 -9.977 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.890 15.789 -10.353 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.190 15.979 -13.194 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.580 14.666 -12.059 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.881 15.684 -12.722 1.00 0.00 H new ATOM 785 N VAL A 49 -11.222 16.409 -8.090 1.00 0.00 N ATOM 786 CA VAL A 49 -11.981 15.986 -6.888 1.00 0.00 C ATOM 787 C VAL A 49 -13.381 15.490 -7.308 1.00 0.00 C ATOM 788 O VAL A 49 -13.859 14.453 -6.830 1.00 0.00 O ATOM 789 CB VAL A 49 -12.111 17.139 -5.819 1.00 0.00 C ATOM 790 CG1 VAL A 49 -12.925 16.672 -4.586 1.00 0.00 C ATOM 791 CG2 VAL A 49 -10.719 17.654 -5.384 1.00 0.00 C ATOM 0 H VAL A 49 -11.018 17.408 -8.119 1.00 0.00 H new ATOM 0 HA VAL A 49 -11.424 15.176 -6.416 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.649 17.962 -6.289 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -12.997 17.488 -3.867 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.926 16.377 -4.901 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.425 15.822 -4.121 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.839 18.448 -4.647 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.149 16.835 -4.946 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -10.187 18.042 -6.252 1.00 0.00 H new ATOM 801 N ASP A 50 -13.992 16.231 -8.250 1.00 0.00 N ATOM 802 CA ASP A 50 -15.307 15.892 -8.836 1.00 0.00 C ATOM 803 C ASP A 50 -15.229 14.565 -9.622 1.00 0.00 C ATOM 804 O ASP A 50 -16.126 13.720 -9.528 1.00 0.00 O ATOM 805 CB ASP A 50 -15.765 17.039 -9.781 1.00 0.00 C ATOM 806 CG ASP A 50 -17.175 16.834 -10.376 1.00 0.00 C ATOM 807 OD1 ASP A 50 -18.165 17.239 -9.731 1.00 0.00 O ATOM 808 OD2 ASP A 50 -17.299 16.273 -11.493 1.00 0.00 O ATOM 0 H ASP A 50 -13.587 17.087 -8.630 1.00 0.00 H new ATOM 0 HA ASP A 50 -16.030 15.772 -8.029 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.747 17.979 -9.230 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -15.048 17.133 -10.596 1.00 0.00 H new ATOM 813 N ALA A 51 -14.119 14.391 -10.360 1.00 0.00 N ATOM 814 CA ALA A 51 -13.906 13.252 -11.273 1.00 0.00 C ATOM 815 C ALA A 51 -13.270 12.046 -10.548 1.00 0.00 C ATOM 816 O ALA A 51 -12.739 11.142 -11.207 1.00 0.00 O ATOM 817 CB ALA A 51 -13.034 13.712 -12.462 1.00 0.00 C ATOM 0 H ALA A 51 -13.335 15.044 -10.340 1.00 0.00 H new ATOM 0 HA ALA A 51 -14.874 12.916 -11.644 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.873 12.874 -13.141 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.540 14.518 -12.994 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.073 14.069 -12.092 1.00 0.00 H new ATOM 823 N LYS A 52 -13.320 12.054 -9.186 1.00 0.00 N ATOM 824 CA LYS A 52 -12.931 10.904 -8.319 1.00 0.00 C ATOM 825 C LYS A 52 -11.417 10.578 -8.412 1.00 0.00 C ATOM 826 O LYS A 52 -10.976 9.494 -8.008 1.00 0.00 O ATOM 827 CB LYS A 52 -13.795 9.651 -8.675 1.00 0.00 C ATOM 828 CG LYS A 52 -15.325 9.884 -8.628 1.00 0.00 C ATOM 829 CD LYS A 52 -15.901 9.978 -7.200 1.00 0.00 C ATOM 830 CE LYS A 52 -15.793 8.648 -6.439 1.00 0.00 C ATOM 831 NZ LYS A 52 -16.494 8.685 -5.134 1.00 0.00 N ATOM 0 H LYS A 52 -13.634 12.866 -8.655 1.00 0.00 H new ATOM 0 HA LYS A 52 -13.124 11.191 -7.285 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -13.524 9.312 -9.675 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -13.543 8.845 -7.986 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.559 10.804 -9.164 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.823 9.071 -9.157 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.372 10.754 -6.647 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -16.947 10.281 -7.252 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -16.211 7.848 -7.050 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -14.742 8.410 -6.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -16.392 7.765 -4.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -16.080 9.430 -4.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -17.503 8.886 -5.287 1.00 0.00 H new ATOM 845 N GLN A 53 -10.636 11.545 -8.918 1.00 0.00 N ATOM 846 CA GLN A 53 -9.187 11.414 -9.132 1.00 0.00 C ATOM 847 C GLN A 53 -8.425 11.649 -7.816 1.00 0.00 C ATOM 848 O GLN A 53 -7.613 10.819 -7.403 1.00 0.00 O ATOM 849 CB GLN A 53 -8.729 12.429 -10.214 1.00 0.00 C ATOM 850 CG GLN A 53 -9.450 12.291 -11.571 1.00 0.00 C ATOM 851 CD GLN A 53 -9.150 10.980 -12.302 1.00 0.00 C ATOM 852 OE1 GLN A 53 -8.049 10.435 -12.205 1.00 0.00 O ATOM 853 NE2 GLN A 53 -10.128 10.454 -13.023 1.00 0.00 N ATOM 0 H GLN A 53 -11.001 12.456 -9.195 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.967 10.403 -9.475 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.886 13.439 -9.835 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.657 12.311 -10.373 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.525 12.368 -11.410 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.163 13.126 -12.210 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.029 10.929 -13.084 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.981 9.574 -13.517 1.00 0.00 H new ATOM 862 N ILE A 54 -8.699 12.794 -7.157 1.00 0.00 N ATOM 863 CA ILE A 54 -8.061 13.161 -5.867 1.00 0.00 C ATOM 864 C ILE A 54 -9.120 13.489 -4.805 1.00 0.00 C ATOM 865 O ILE A 54 -10.275 13.785 -5.128 1.00 0.00 O ATOM 866 CB ILE A 54 -7.073 14.389 -5.994 1.00 0.00 C ATOM 867 CG1 ILE A 54 -7.814 15.642 -6.551 1.00 0.00 C ATOM 868 CG2 ILE A 54 -5.847 14.024 -6.848 1.00 0.00 C ATOM 869 CD1 ILE A 54 -6.965 16.891 -6.716 1.00 0.00 C ATOM 0 H ILE A 54 -9.364 13.489 -7.498 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.481 12.289 -5.565 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.710 14.640 -4.997 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.243 15.386 -7.520 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.645 15.875 -5.885 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.184 14.886 -6.919 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.314 13.194 -6.384 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.173 13.733 -7.847 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.581 17.700 -7.109 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.556 17.183 -5.749 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.148 16.687 -7.408 1.00 0.00 H new ATOM 881 N ALA A 55 -8.690 13.430 -3.538 1.00 0.00 N ATOM 882 CA ALA A 55 -9.498 13.808 -2.374 1.00 0.00 C ATOM 883 C ALA A 55 -9.400 15.338 -2.162 1.00 0.00 C ATOM 884 O ALA A 55 -8.395 15.947 -2.551 1.00 0.00 O ATOM 885 CB ALA A 55 -9.008 13.038 -1.131 1.00 0.00 C ATOM 0 H ALA A 55 -7.753 13.112 -3.290 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.543 13.548 -2.541 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.610 13.321 -0.267 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.104 11.966 -1.305 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.963 13.282 -0.940 1.00 0.00 H new ATOM 891 N PRO A 56 -10.438 15.995 -1.573 1.00 0.00 N ATOM 892 CA PRO A 56 -10.397 17.442 -1.313 1.00 0.00 C ATOM 893 C PRO A 56 -9.559 17.808 -0.069 1.00 0.00 C ATOM 894 O PRO A 56 -9.368 17.000 0.851 1.00 0.00 O ATOM 895 CB PRO A 56 -11.884 17.795 -1.128 1.00 0.00 C ATOM 896 CG PRO A 56 -12.483 16.562 -0.526 1.00 0.00 C ATOM 897 CD PRO A 56 -11.741 15.398 -1.150 1.00 0.00 C ATOM 0 HA PRO A 56 -9.913 17.997 -2.117 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.010 18.658 -0.475 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.356 18.043 -2.079 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.371 16.562 0.558 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.551 16.503 -0.736 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.597 14.586 -0.437 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.286 14.984 -1.998 1.00 0.00 H new ATOM 905 N LEU A 57 -9.019 19.024 -0.101 1.00 0.00 N ATOM 906 CA LEU A 57 -8.360 19.669 1.035 1.00 0.00 C ATOM 907 C LEU A 57 -9.403 20.453 1.851 1.00 0.00 C ATOM 908 O LEU A 57 -10.375 20.953 1.263 1.00 0.00 O ATOM 909 CB LEU A 57 -7.291 20.647 0.491 1.00 0.00 C ATOM 910 CG LEU A 57 -6.152 20.000 -0.350 1.00 0.00 C ATOM 911 CD1 LEU A 57 -5.400 21.065 -1.167 1.00 0.00 C ATOM 912 CD2 LEU A 57 -5.180 19.193 0.549 1.00 0.00 C ATOM 0 H LEU A 57 -9.027 19.605 -0.940 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.892 18.920 1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -7.790 21.397 -0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.842 21.172 1.334 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.609 19.301 -1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.609 20.588 -1.746 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.095 21.563 -1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.962 21.800 -0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.395 18.753 -0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.732 19.857 1.288 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.729 18.401 1.058 1.00 0.00 H new ATOM 924 N PRO A 58 -9.230 20.597 3.205 1.00 0.00 N ATOM 925 CA PRO A 58 -10.085 21.504 4.016 1.00 0.00 C ATOM 926 C PRO A 58 -9.924 22.971 3.563 1.00 0.00 C ATOM 927 O PRO A 58 -8.917 23.312 2.944 1.00 0.00 O ATOM 928 CB PRO A 58 -9.567 21.283 5.465 1.00 0.00 C ATOM 929 CG PRO A 58 -8.176 20.753 5.296 1.00 0.00 C ATOM 930 CD PRO A 58 -8.217 19.899 4.049 1.00 0.00 C ATOM 0 HA PRO A 58 -11.150 21.295 3.918 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.570 22.214 6.033 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.196 20.577 6.007 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.457 21.565 5.192 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.871 20.167 6.163 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.245 19.852 3.559 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.512 18.873 4.270 1.00 0.00 H new ATOM 938 N ASP A 59 -10.905 23.832 3.887 1.00 0.00 N ATOM 939 CA ASP A 59 -10.875 25.270 3.506 1.00 0.00 C ATOM 940 C ASP A 59 -9.662 25.993 4.140 1.00 0.00 C ATOM 941 O ASP A 59 -9.183 27.007 3.619 1.00 0.00 O ATOM 942 CB ASP A 59 -12.192 25.970 3.922 1.00 0.00 C ATOM 943 CG ASP A 59 -13.440 25.316 3.303 1.00 0.00 C ATOM 944 OD1 ASP A 59 -13.794 25.642 2.144 1.00 0.00 O ATOM 945 OD2 ASP A 59 -14.058 24.454 3.967 1.00 0.00 O ATOM 0 H ASP A 59 -11.736 23.563 4.414 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.774 25.325 2.422 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.280 25.952 5.008 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -12.151 27.017 3.623 1.00 0.00 H new ATOM 950 N SER A 60 -9.180 25.433 5.265 1.00 0.00 N ATOM 951 CA SER A 60 -7.971 25.892 5.963 1.00 0.00 C ATOM 952 C SER A 60 -6.691 25.592 5.139 1.00 0.00 C ATOM 953 O SER A 60 -5.740 26.377 5.154 1.00 0.00 O ATOM 954 CB SER A 60 -7.900 25.203 7.338 1.00 0.00 C ATOM 955 OG SER A 60 -9.099 25.402 8.075 1.00 0.00 O ATOM 0 H SER A 60 -9.628 24.637 5.719 1.00 0.00 H new ATOM 0 HA SER A 60 -8.026 26.973 6.091 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.725 24.135 7.204 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.054 25.596 7.902 1.00 0.00 H new ATOM 0 HG SER A 60 -9.028 24.953 8.943 1.00 0.00 H new ATOM 961 N LYS A 61 -6.681 24.450 4.423 1.00 0.00 N ATOM 962 CA LYS A 61 -5.553 24.042 3.552 1.00 0.00 C ATOM 963 C LYS A 61 -5.926 24.170 2.074 1.00 0.00 C ATOM 964 O LYS A 61 -5.251 23.615 1.202 1.00 0.00 O ATOM 965 CB LYS A 61 -5.107 22.594 3.900 1.00 0.00 C ATOM 966 CG LYS A 61 -4.446 22.474 5.289 1.00 0.00 C ATOM 967 CD LYS A 61 -3.146 23.310 5.388 1.00 0.00 C ATOM 968 CE LYS A 61 -2.593 23.386 6.813 1.00 0.00 C ATOM 969 NZ LYS A 61 -1.313 24.131 6.863 1.00 0.00 N ATOM 0 H LYS A 61 -7.453 23.783 4.430 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.713 24.712 3.733 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.974 21.935 3.860 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.407 22.245 3.141 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.148 22.804 6.054 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.220 21.427 5.494 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.390 22.876 4.733 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.341 24.319 5.025 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.322 23.871 7.461 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.443 22.378 7.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.968 24.163 7.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.610 23.654 6.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.462 25.100 6.517 1.00 0.00 H new ATOM 983 N LEU A 62 -6.986 24.930 1.793 1.00 0.00 N ATOM 984 CA LEU A 62 -7.388 25.266 0.421 1.00 0.00 C ATOM 985 C LEU A 62 -6.574 26.498 0.009 1.00 0.00 C ATOM 986 O LEU A 62 -7.059 27.628 0.007 1.00 0.00 O ATOM 987 CB LEU A 62 -8.934 25.495 0.331 1.00 0.00 C ATOM 988 CG LEU A 62 -9.651 24.950 -0.940 1.00 0.00 C ATOM 989 CD1 LEU A 62 -9.192 25.655 -2.229 1.00 0.00 C ATOM 990 CD2 LEU A 62 -9.477 23.426 -1.038 1.00 0.00 C ATOM 0 H LEU A 62 -7.592 25.331 2.509 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.181 24.448 -0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.397 25.037 1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.123 26.567 0.395 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.713 25.174 -0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.724 25.235 -3.083 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.406 26.721 -2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.120 25.508 -2.362 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.983 23.059 -1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.416 23.184 -1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.909 22.953 -0.156 1.00 0.00 H new ATOM 1002 N ASP A 63 -5.299 26.238 -0.263 1.00 0.00 N ATOM 1003 CA ASP A 63 -4.278 27.250 -0.545 1.00 0.00 C ATOM 1004 C ASP A 63 -3.476 26.807 -1.764 1.00 0.00 C ATOM 1005 O ASP A 63 -3.258 25.615 -1.928 1.00 0.00 O ATOM 1006 CB ASP A 63 -3.360 27.419 0.699 1.00 0.00 C ATOM 1007 CG ASP A 63 -2.039 28.153 0.403 1.00 0.00 C ATOM 1008 OD1 ASP A 63 -2.052 29.393 0.263 1.00 0.00 O ATOM 1009 OD2 ASP A 63 -0.990 27.479 0.269 1.00 0.00 O ATOM 0 H ASP A 63 -4.933 25.287 -0.295 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.741 28.214 -0.758 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.904 27.967 1.469 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.134 26.434 1.108 1.00 0.00 H new ATOM 1014 N GLY A 64 -2.993 27.790 -2.557 1.00 0.00 N ATOM 1015 CA GLY A 64 -2.312 27.545 -3.838 1.00 0.00 C ATOM 1016 C GLY A 64 -1.229 26.471 -3.783 1.00 0.00 C ATOM 1017 O GLY A 64 -1.203 25.581 -4.623 1.00 0.00 O ATOM 0 H GLY A 64 -3.068 28.779 -2.320 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.055 27.256 -4.581 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.864 28.478 -4.181 1.00 0.00 H new ATOM 1021 N ALA A 65 -0.384 26.521 -2.739 1.00 0.00 N ATOM 1022 CA ALA A 65 0.735 25.574 -2.555 1.00 0.00 C ATOM 1023 C ALA A 65 0.232 24.132 -2.295 1.00 0.00 C ATOM 1024 O ALA A 65 0.799 23.160 -2.808 1.00 0.00 O ATOM 1025 CB ALA A 65 1.624 26.044 -1.396 1.00 0.00 C ATOM 0 H ALA A 65 -0.455 27.218 -1.998 1.00 0.00 H new ATOM 0 HA ALA A 65 1.316 25.555 -3.477 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.448 25.344 -1.263 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.021 27.034 -1.621 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.034 26.089 -0.480 1.00 0.00 H new ATOM 1031 N ASN A 66 -0.846 24.024 -1.496 1.00 0.00 N ATOM 1032 CA ASN A 66 -1.472 22.732 -1.127 1.00 0.00 C ATOM 1033 C ASN A 66 -2.235 22.124 -2.323 1.00 0.00 C ATOM 1034 O ASN A 66 -2.270 20.897 -2.495 1.00 0.00 O ATOM 1035 CB ASN A 66 -2.424 22.919 0.080 1.00 0.00 C ATOM 1036 CG ASN A 66 -1.697 23.337 1.365 1.00 0.00 C ATOM 1037 OD1 ASN A 66 -1.312 22.492 2.172 1.00 0.00 O ATOM 1038 ND2 ASN A 66 -1.476 24.637 1.556 1.00 0.00 N ATOM 0 H ASN A 66 -1.312 24.832 -1.084 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.678 22.040 -0.845 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.171 23.673 -0.168 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.959 21.987 0.260 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.977 24.953 2.387 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.806 25.317 0.871 1.00 0.00 H new ATOM 1045 N ILE A 67 -2.849 23.003 -3.135 1.00 0.00 N ATOM 1046 CA ILE A 67 -3.554 22.623 -4.373 1.00 0.00 C ATOM 1047 C ILE A 67 -2.556 22.003 -5.373 1.00 0.00 C ATOM 1048 O ILE A 67 -2.795 20.924 -5.929 1.00 0.00 O ATOM 1049 CB ILE A 67 -4.265 23.873 -5.033 1.00 0.00 C ATOM 1050 CG1 ILE A 67 -5.334 24.505 -4.081 1.00 0.00 C ATOM 1051 CG2 ILE A 67 -4.895 23.503 -6.392 1.00 0.00 C ATOM 1052 CD1 ILE A 67 -6.494 23.597 -3.744 1.00 0.00 C ATOM 0 H ILE A 67 -2.870 24.006 -2.949 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.320 21.891 -4.117 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.494 24.624 -5.207 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.844 24.805 -3.155 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.723 25.412 -4.544 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.376 24.382 -6.821 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.118 23.148 -7.069 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.637 22.718 -6.247 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.183 24.119 -3.080 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.014 23.316 -4.660 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.122 22.700 -3.249 1.00 0.00 H new ATOM 1064 N LYS A 68 -1.419 22.694 -5.538 1.00 0.00 N ATOM 1065 CA LYS A 68 -0.306 22.272 -6.413 1.00 0.00 C ATOM 1066 C LYS A 68 0.263 20.909 -5.990 1.00 0.00 C ATOM 1067 O LYS A 68 0.694 20.121 -6.832 1.00 0.00 O ATOM 1068 CB LYS A 68 0.800 23.354 -6.387 1.00 0.00 C ATOM 1069 CG LYS A 68 0.405 24.646 -7.120 1.00 0.00 C ATOM 1070 CD LYS A 68 1.449 25.767 -6.991 1.00 0.00 C ATOM 1071 CE LYS A 68 1.012 27.056 -7.706 1.00 0.00 C ATOM 1072 NZ LYS A 68 1.958 28.174 -7.474 1.00 0.00 N ATOM 0 H LYS A 68 -1.240 23.578 -5.061 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.687 22.160 -7.428 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.042 23.592 -5.351 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.705 22.949 -6.841 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.251 24.423 -8.176 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.548 25.001 -6.727 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.622 25.980 -5.936 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.397 25.427 -7.407 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.932 26.866 -8.776 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.020 27.344 -7.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.623 29.022 -7.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.016 28.374 -6.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.900 27.911 -7.829 1.00 0.00 H new ATOM 1086 N HIS A 69 0.237 20.659 -4.674 1.00 0.00 N ATOM 1087 CA HIS A 69 0.699 19.398 -4.080 1.00 0.00 C ATOM 1088 C HIS A 69 -0.252 18.234 -4.468 1.00 0.00 C ATOM 1089 O HIS A 69 0.209 17.151 -4.833 1.00 0.00 O ATOM 1090 CB HIS A 69 0.805 19.579 -2.543 1.00 0.00 C ATOM 1091 CG HIS A 69 1.550 18.486 -1.828 1.00 0.00 C ATOM 1092 ND1 HIS A 69 2.928 18.422 -1.802 1.00 0.00 N ATOM 1093 CD2 HIS A 69 1.118 17.431 -1.097 1.00 0.00 C ATOM 1094 CE1 HIS A 69 3.309 17.385 -1.090 1.00 0.00 C ATOM 1095 NE2 HIS A 69 2.229 16.766 -0.653 1.00 0.00 N ATOM 0 H HIS A 69 -0.107 21.330 -3.988 1.00 0.00 H new ATOM 0 HA HIS A 69 1.685 19.139 -4.466 1.00 0.00 H new ATOM 0 HB2 HIS A 69 1.297 20.530 -2.337 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -0.201 19.644 -2.129 1.00 0.00 H new ATOM 0 HD1 HIS A 69 3.556 19.079 -2.265 1.00 0.00 H new ATOM 0 HD2 HIS A 69 0.090 17.164 -0.901 1.00 0.00 H new ATOM 0 HE1 HIS A 69 4.330 17.090 -0.896 1.00 0.00 H new ATOM 1104 N ARG A 70 -1.581 18.495 -4.424 1.00 0.00 N ATOM 1105 CA ARG A 70 -2.619 17.532 -4.891 1.00 0.00 C ATOM 1106 C ARG A 70 -2.387 17.158 -6.366 1.00 0.00 C ATOM 1107 O ARG A 70 -2.381 15.973 -6.724 1.00 0.00 O ATOM 1108 CB ARG A 70 -4.058 18.117 -4.741 1.00 0.00 C ATOM 1109 CG ARG A 70 -4.674 18.060 -3.331 1.00 0.00 C ATOM 1110 CD ARG A 70 -4.809 16.618 -2.787 1.00 0.00 C ATOM 1111 NE ARG A 70 -5.780 16.540 -1.671 1.00 0.00 N ATOM 1112 CZ ARG A 70 -5.645 15.803 -0.556 1.00 0.00 C ATOM 1113 NH1 ARG A 70 -4.517 15.149 -0.294 1.00 0.00 N ATOM 1114 NH2 ARG A 70 -6.652 15.744 0.313 1.00 0.00 N ATOM 0 H ARG A 70 -1.966 19.370 -4.068 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.533 16.644 -4.264 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.040 19.158 -5.065 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.718 17.582 -5.424 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.057 18.644 -2.648 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.658 18.528 -3.351 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.126 15.954 -3.591 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.835 16.265 -2.447 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.630 17.098 -1.757 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.734 15.202 -0.945 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.435 14.595 0.558 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.515 16.255 0.129 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.560 15.187 1.163 1.00 0.00 H new ATOM 1128 N LEU A 71 -2.182 18.197 -7.194 1.00 0.00 N ATOM 1129 CA LEU A 71 -1.982 18.053 -8.647 1.00 0.00 C ATOM 1130 C LEU A 71 -0.686 17.283 -8.956 1.00 0.00 C ATOM 1131 O LEU A 71 -0.639 16.481 -9.896 1.00 0.00 O ATOM 1132 CB LEU A 71 -1.935 19.447 -9.328 1.00 0.00 C ATOM 1133 CG LEU A 71 -3.178 20.370 -9.122 1.00 0.00 C ATOM 1134 CD1 LEU A 71 -3.083 21.634 -9.992 1.00 0.00 C ATOM 1135 CD2 LEU A 71 -4.503 19.623 -9.364 1.00 0.00 C ATOM 0 H LEU A 71 -2.150 19.165 -6.873 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.825 17.486 -9.043 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.055 19.975 -8.962 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.795 19.298 -10.399 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.175 20.680 -8.077 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.962 22.256 -9.827 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.187 22.194 -9.724 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.032 21.349 -11.043 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.339 20.305 -9.209 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.527 19.246 -10.387 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.582 18.788 -8.668 1.00 0.00 H new ATOM 1147 N ALA A 72 0.344 17.542 -8.130 1.00 0.00 N ATOM 1148 CA ALA A 72 1.674 16.938 -8.271 1.00 0.00 C ATOM 1149 C ALA A 72 1.625 15.421 -8.080 1.00 0.00 C ATOM 1150 O ALA A 72 2.035 14.665 -8.961 1.00 0.00 O ATOM 1151 CB ALA A 72 2.653 17.562 -7.273 1.00 0.00 C ATOM 0 H ALA A 72 0.272 18.183 -7.340 1.00 0.00 H new ATOM 0 HA ALA A 72 2.021 17.138 -9.285 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.635 17.103 -7.391 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.729 18.633 -7.459 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.294 17.395 -6.258 1.00 0.00 H new ATOM 1157 N LEU A 73 1.097 14.986 -6.923 1.00 0.00 N ATOM 1158 CA LEU A 73 1.019 13.553 -6.586 1.00 0.00 C ATOM 1159 C LEU A 73 -0.008 12.819 -7.460 1.00 0.00 C ATOM 1160 O LEU A 73 0.150 11.613 -7.698 1.00 0.00 O ATOM 1161 CB LEU A 73 0.736 13.323 -5.083 1.00 0.00 C ATOM 1162 CG LEU A 73 1.955 13.557 -4.132 1.00 0.00 C ATOM 1163 CD1 LEU A 73 2.237 15.051 -3.891 1.00 0.00 C ATOM 1164 CD2 LEU A 73 1.780 12.794 -2.811 1.00 0.00 C ATOM 0 H LEU A 73 0.718 15.605 -6.206 1.00 0.00 H new ATOM 0 HA LEU A 73 2.000 13.129 -6.800 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.075 13.984 -4.777 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.382 12.301 -4.949 1.00 0.00 H new ATOM 0 HG LEU A 73 2.834 13.156 -4.637 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.093 15.157 -3.224 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.455 15.538 -4.841 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.363 15.518 -3.436 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.642 12.975 -2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.876 13.138 -2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.698 11.727 -3.016 1.00 0.00 H new ATOM 1176 N TRP A 74 -1.042 13.550 -7.943 1.00 0.00 N ATOM 1177 CA TRP A 74 -2.016 12.992 -8.897 1.00 0.00 C ATOM 1178 C TRP A 74 -1.299 12.565 -10.182 1.00 0.00 C ATOM 1179 O TRP A 74 -1.286 11.384 -10.522 1.00 0.00 O ATOM 1180 CB TRP A 74 -3.153 13.990 -9.251 1.00 0.00 C ATOM 1181 CG TRP A 74 -4.087 13.455 -10.325 1.00 0.00 C ATOM 1182 CD1 TRP A 74 -4.978 12.425 -10.198 1.00 0.00 C ATOM 1183 CD2 TRP A 74 -4.187 13.898 -11.688 1.00 0.00 C ATOM 1184 NE1 TRP A 74 -5.612 12.203 -11.390 1.00 0.00 N ATOM 1185 CE2 TRP A 74 -5.147 13.091 -12.316 1.00 0.00 C ATOM 1186 CE3 TRP A 74 -3.545 14.895 -12.434 1.00 0.00 C ATOM 1187 CZ2 TRP A 74 -5.497 13.254 -13.652 1.00 0.00 C ATOM 1188 CZ3 TRP A 74 -3.895 15.062 -13.758 1.00 0.00 C ATOM 1189 CH2 TRP A 74 -4.857 14.238 -14.359 1.00 0.00 C ATOM 0 H TRP A 74 -1.218 14.521 -7.686 1.00 0.00 H new ATOM 0 HA TRP A 74 -2.476 12.132 -8.412 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.728 14.213 -8.353 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -2.715 14.929 -9.590 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -5.155 11.868 -9.290 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -6.319 11.488 -11.559 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -2.790 15.521 -11.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -6.246 12.628 -14.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.421 15.839 -14.340 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -5.099 14.382 -15.402 1.00 0.00 H new ATOM 1200 N ILE A 75 -0.688 13.546 -10.872 1.00 0.00 N ATOM 1201 CA ILE A 75 -0.063 13.312 -12.178 1.00 0.00 C ATOM 1202 C ILE A 75 1.143 12.368 -12.038 1.00 0.00 C ATOM 1203 O ILE A 75 1.383 11.565 -12.921 1.00 0.00 O ATOM 1204 CB ILE A 75 0.342 14.649 -12.906 1.00 0.00 C ATOM 1205 CG1 ILE A 75 0.771 14.382 -14.386 1.00 0.00 C ATOM 1206 CG2 ILE A 75 1.452 15.392 -12.140 1.00 0.00 C ATOM 1207 CD1 ILE A 75 -0.290 13.720 -15.256 1.00 0.00 C ATOM 0 H ILE A 75 -0.616 14.508 -10.542 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.811 12.832 -12.809 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.539 15.290 -12.922 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.054 15.330 -14.843 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.661 13.752 -14.382 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.708 16.310 -12.669 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.101 15.637 -11.138 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.334 14.756 -12.070 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.102 13.577 -16.263 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.558 12.753 -14.830 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.174 14.356 -15.298 1.00 0.00 H new ATOM 1219 N HIS A 76 1.838 12.422 -10.881 1.00 0.00 N ATOM 1220 CA HIS A 76 3.010 11.566 -10.615 1.00 0.00 C ATOM 1221 C HIS A 76 2.586 10.093 -10.581 1.00 0.00 C ATOM 1222 O HIS A 76 3.209 9.246 -11.215 1.00 0.00 O ATOM 1223 CB HIS A 76 3.708 11.956 -9.284 1.00 0.00 C ATOM 1224 CG HIS A 76 5.121 11.463 -9.186 1.00 0.00 C ATOM 1225 ND1 HIS A 76 5.602 10.735 -8.123 1.00 0.00 N ATOM 1226 CD2 HIS A 76 6.170 11.631 -10.030 1.00 0.00 C ATOM 1227 CE1 HIS A 76 6.879 10.476 -8.317 1.00 0.00 C ATOM 1228 NE2 HIS A 76 7.244 11.010 -9.464 1.00 0.00 N ATOM 0 H HIS A 76 1.604 13.053 -10.114 1.00 0.00 H new ATOM 0 HA HIS A 76 3.727 11.715 -11.422 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.702 13.041 -9.184 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.132 11.555 -8.450 1.00 0.00 H new ATOM 0 HD2 HIS A 76 6.157 12.158 -10.973 1.00 0.00 H new ATOM 0 HE1 HIS A 76 7.519 9.920 -7.648 1.00 0.00 H new ATOM 0 HE2 HIS A 76 8.181 10.966 -9.865 1.00 0.00 H new ATOM 1237 N ALA A 77 1.484 9.824 -9.858 1.00 0.00 N ATOM 1238 CA ALA A 77 0.887 8.480 -9.772 1.00 0.00 C ATOM 1239 C ALA A 77 0.176 8.100 -11.087 1.00 0.00 C ATOM 1240 O ALA A 77 0.058 6.918 -11.412 1.00 0.00 O ATOM 1241 CB ALA A 77 -0.076 8.415 -8.579 1.00 0.00 C ATOM 0 H ALA A 77 0.984 10.530 -9.318 1.00 0.00 H new ATOM 0 HA ALA A 77 1.684 7.753 -9.616 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.515 7.419 -8.520 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.469 8.627 -7.659 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.867 9.153 -8.710 1.00 0.00 H new ATOM 1247 N ALA A 78 -0.281 9.117 -11.846 1.00 0.00 N ATOM 1248 CA ALA A 78 -0.943 8.910 -13.151 1.00 0.00 C ATOM 1249 C ALA A 78 0.065 8.371 -14.177 1.00 0.00 C ATOM 1250 O ALA A 78 -0.273 7.514 -15.003 1.00 0.00 O ATOM 1251 CB ALA A 78 -1.600 10.211 -13.651 1.00 0.00 C ATOM 0 H ALA A 78 -0.203 10.097 -11.575 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.734 8.171 -13.023 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.080 10.030 -14.613 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.347 10.542 -12.930 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.839 10.983 -13.765 1.00 0.00 H new ATOM 1257 N LEU A 79 1.309 8.879 -14.091 1.00 0.00 N ATOM 1258 CA LEU A 79 2.440 8.398 -14.892 1.00 0.00 C ATOM 1259 C LEU A 79 2.783 6.946 -14.467 1.00 0.00 C ATOM 1260 O LEU A 79 3.093 6.718 -13.285 1.00 0.00 O ATOM 1261 CB LEU A 79 3.659 9.339 -14.695 1.00 0.00 C ATOM 1262 CG LEU A 79 3.427 10.847 -15.059 1.00 0.00 C ATOM 1263 CD1 LEU A 79 4.598 11.732 -14.604 1.00 0.00 C ATOM 1264 CD2 LEU A 79 3.140 11.048 -16.559 1.00 0.00 C ATOM 0 H LEU A 79 1.554 9.640 -13.458 1.00 0.00 H new ATOM 0 HA LEU A 79 2.177 8.400 -15.950 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.973 9.281 -13.653 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.485 8.963 -15.298 1.00 0.00 H new ATOM 0 HG LEU A 79 2.538 11.160 -14.512 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.398 12.769 -14.875 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.713 11.656 -13.523 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.515 11.401 -15.091 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.986 12.108 -16.761 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.986 10.686 -17.143 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.244 10.492 -16.836 1.00 0.00 H new ATOM 1276 N PRO A 80 2.721 5.942 -15.414 1.00 0.00 N ATOM 1277 CA PRO A 80 2.904 4.498 -15.083 1.00 0.00 C ATOM 1278 C PRO A 80 4.321 4.140 -14.581 1.00 0.00 C ATOM 1279 O PRO A 80 4.558 3.015 -14.121 1.00 0.00 O ATOM 1280 CB PRO A 80 2.588 3.772 -16.422 1.00 0.00 C ATOM 1281 CG PRO A 80 1.859 4.789 -17.251 1.00 0.00 C ATOM 1282 CD PRO A 80 2.449 6.120 -16.867 1.00 0.00 C ATOM 0 HA PRO A 80 2.258 4.204 -14.255 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.501 3.441 -16.917 1.00 0.00 H new ATOM 0 HB3 PRO A 80 1.976 2.886 -16.256 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.990 4.594 -18.315 1.00 0.00 H new ATOM 0 HG3 PRO A 80 0.788 4.763 -17.052 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.359 6.338 -17.427 1.00 0.00 H new ATOM 0 HD3 PRO A 80 1.756 6.940 -17.053 1.00 0.00 H new ATOM 1290 N ASP A 81 5.253 5.097 -14.693 1.00 0.00 N ATOM 1291 CA ASP A 81 6.651 4.939 -14.235 1.00 0.00 C ATOM 1292 C ASP A 81 7.002 5.934 -13.119 1.00 0.00 C ATOM 1293 O ASP A 81 8.105 5.866 -12.566 1.00 0.00 O ATOM 1294 CB ASP A 81 7.614 5.121 -15.441 1.00 0.00 C ATOM 1295 CG ASP A 81 7.427 4.037 -16.513 1.00 0.00 C ATOM 1296 OD1 ASP A 81 6.549 4.189 -17.393 1.00 0.00 O ATOM 1297 OD2 ASP A 81 8.138 3.011 -16.464 1.00 0.00 O ATOM 0 H ASP A 81 5.062 6.010 -15.106 1.00 0.00 H new ATOM 0 HA ASP A 81 6.762 3.936 -13.822 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.450 6.101 -15.888 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.644 5.101 -15.085 1.00 0.00 H new ATOM 1302 N ASN A 82 6.051 6.842 -12.789 1.00 0.00 N ATOM 1303 CA ASN A 82 6.288 7.967 -11.855 1.00 0.00 C ATOM 1304 C ASN A 82 7.489 8.811 -12.333 1.00 0.00 C ATOM 1305 O ASN A 82 8.470 9.001 -11.602 1.00 0.00 O ATOM 1306 CB ASN A 82 6.462 7.487 -10.370 1.00 0.00 C ATOM 1307 CG ASN A 82 5.144 7.238 -9.617 1.00 0.00 C ATOM 1308 OD1 ASN A 82 5.054 7.535 -8.425 1.00 0.00 O ATOM 1309 ND2 ASN A 82 4.124 6.695 -10.283 1.00 0.00 N ATOM 0 H ASN A 82 5.102 6.814 -13.162 1.00 0.00 H new ATOM 0 HA ASN A 82 5.400 8.599 -11.862 1.00 0.00 H new ATOM 0 HB2 ASN A 82 7.047 6.567 -10.366 1.00 0.00 H new ATOM 0 HB3 ASN A 82 7.040 8.234 -9.826 1.00 0.00 H new ATOM 0 HD21 ASN A 82 3.241 6.516 -9.805 1.00 0.00 H new ATOM 0 HD22 ASN A 82 4.227 6.459 -11.270 1.00 0.00 H new ATOM 1316 N ASP A 83 7.386 9.289 -13.588 1.00 0.00 N ATOM 1317 CA ASP A 83 8.445 10.042 -14.294 1.00 0.00 C ATOM 1318 C ASP A 83 8.873 11.321 -13.516 1.00 0.00 C ATOM 1319 O ASP A 83 8.098 11.827 -12.693 1.00 0.00 O ATOM 1320 CB ASP A 83 7.936 10.414 -15.724 1.00 0.00 C ATOM 1321 CG ASP A 83 7.586 9.188 -16.604 1.00 0.00 C ATOM 1322 OD1 ASP A 83 6.529 8.549 -16.369 1.00 0.00 O ATOM 1323 OD2 ASP A 83 8.351 8.865 -17.538 1.00 0.00 O ATOM 0 H ASP A 83 6.547 9.161 -14.153 1.00 0.00 H new ATOM 0 HA ASP A 83 9.329 9.408 -14.366 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.053 11.047 -15.632 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.700 11.005 -16.229 1.00 0.00 H new ATOM 1328 N PRO A 84 10.129 11.838 -13.729 1.00 0.00 N ATOM 1329 CA PRO A 84 10.585 13.120 -13.128 1.00 0.00 C ATOM 1330 C PRO A 84 10.085 14.351 -13.920 1.00 0.00 C ATOM 1331 O PRO A 84 10.307 15.497 -13.499 1.00 0.00 O ATOM 1332 CB PRO A 84 12.123 12.988 -13.195 1.00 0.00 C ATOM 1333 CG PRO A 84 12.360 12.204 -14.451 1.00 0.00 C ATOM 1334 CD PRO A 84 11.219 11.204 -14.529 1.00 0.00 C ATOM 0 HA PRO A 84 10.201 13.279 -12.120 1.00 0.00 H new ATOM 0 HB2 PRO A 84 12.607 13.964 -13.235 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.519 12.472 -12.320 1.00 0.00 H new ATOM 0 HG2 PRO A 84 12.370 12.856 -15.324 1.00 0.00 H new ATOM 0 HG3 PRO A 84 13.324 11.697 -14.421 1.00 0.00 H new ATOM 0 HD2 PRO A 84 10.909 11.031 -15.560 1.00 0.00 H new ATOM 0 HD3 PRO A 84 11.507 10.237 -14.116 1.00 0.00 H new ATOM 1342 N LEU A 85 9.413 14.077 -15.072 1.00 0.00 N ATOM 1343 CA LEU A 85 8.879 15.094 -16.003 1.00 0.00 C ATOM 1344 C LEU A 85 10.007 15.972 -16.583 1.00 0.00 C ATOM 1345 O LEU A 85 9.751 17.095 -17.038 1.00 0.00 O ATOM 1346 CB LEU A 85 7.751 15.956 -15.345 1.00 0.00 C ATOM 1347 CG LEU A 85 6.468 15.176 -14.900 1.00 0.00 C ATOM 1348 CD1 LEU A 85 6.649 14.459 -13.551 1.00 0.00 C ATOM 1349 CD2 LEU A 85 5.246 16.092 -14.870 1.00 0.00 C ATOM 0 H LEU A 85 9.227 13.122 -15.380 1.00 0.00 H new ATOM 0 HA LEU A 85 8.420 14.560 -16.835 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.167 16.460 -14.473 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.455 16.732 -16.051 1.00 0.00 H new ATOM 0 HG LEU A 85 6.300 14.403 -15.650 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.729 13.935 -13.291 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.466 13.742 -13.627 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.880 15.192 -12.778 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.371 15.522 -14.557 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.419 16.906 -14.166 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.075 16.503 -15.865 1.00 0.00 H new ATOM 1361 N LYS A 86 11.228 15.399 -16.610 1.00 0.00 N ATOM 1362 CA LYS A 86 12.476 16.087 -16.982 1.00 0.00 C ATOM 1363 C LYS A 86 12.365 16.796 -18.360 1.00 0.00 C ATOM 1364 O LYS A 86 12.269 16.105 -19.396 1.00 0.00 O ATOM 1365 CB LYS A 86 13.649 15.063 -16.966 1.00 0.00 C ATOM 1366 CG LYS A 86 15.037 15.654 -17.314 1.00 0.00 C ATOM 1367 CD LYS A 86 15.524 16.708 -16.293 1.00 0.00 C ATOM 1368 CE LYS A 86 16.901 17.295 -16.651 1.00 0.00 C ATOM 1369 NZ LYS A 86 17.373 18.267 -15.634 1.00 0.00 N ATOM 1370 OXT LYS A 86 12.385 18.047 -18.391 1.00 0.00 O ATOM 0 H LYS A 86 11.374 14.419 -16.367 1.00 0.00 H new ATOM 0 HA LYS A 86 12.670 16.871 -16.250 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.702 14.609 -15.977 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.424 14.264 -17.672 1.00 0.00 H new ATOM 0 HG2 LYS A 86 15.766 14.845 -17.367 1.00 0.00 H new ATOM 0 HG3 LYS A 86 14.993 16.109 -18.303 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.794 17.515 -16.235 1.00 0.00 H new ATOM 0 HD3 LYS A 86 15.574 16.253 -15.304 1.00 0.00 H new ATOM 0 HE2 LYS A 86 17.626 16.487 -16.744 1.00 0.00 H new ATOM 0 HE3 LYS A 86 16.844 17.786 -17.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 18.303 18.638 -15.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 16.694 19.052 -15.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 17.452 17.793 -14.712 1.00 0.00 H new