USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 676 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 81 GLN : amide:sc= 0 X(o=0.065,f=0.071) USER MOD Set 1.2: A 82 SER OG : rot 46:sc= 0.0646 USER MOD Set 2.1: A 68 MET CE :methyl 179:sc= -1.88! (180deg=0) USER MOD Set 2.2: A 72 GLN : amide:sc= -2.15! C(o=-4!,f=-10!) USER MOD Set 3.1: A 27 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 30 SER OG : rot -50:sc= 0.79 USER MOD Single : A 5 LYS NZ :NH3+ -173:sc= -1.09 (180deg=-1.12) USER MOD Single : A 6 SER OG : rot 180:sc= -0.135 USER MOD Single : A 7 SER OG : rot 53:sc= -0.472! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -90:sc= 0.175 USER MOD Single : A 21 MET CE :methyl -142:sc= -6.83! (180deg=-12.8!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -5.62! C(o=-5.6!,f=-3.2!) USER MOD Single : A 56 GLN : amide:sc= -5.5! C(o=-5.5!,f=-11!) USER MOD Single : A 57 CYS SG : rot 17:sc= 0.442 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -110:sc= -1.42! USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.057 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 154:sc= -2.02 (180deg=-2.88!) USER MOD Single : A 89 ASN : amide:sc= -0.324 K(o=-0.32,f=-1.8) USER MOD Single : A 90 LYS NZ :NH3+ 152:sc= -0.077 (180deg=-0.501) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 7.181 0.626 0.587 1.00 0.00 N ATOM 66 CA LYS A 5 6.031 -0.244 0.761 1.00 0.00 C ATOM 67 C LYS A 5 5.585 -0.771 -0.604 1.00 0.00 C ATOM 68 O LYS A 5 6.106 -0.352 -1.637 1.00 0.00 O ATOM 69 CB LYS A 5 4.925 0.477 1.533 1.00 0.00 C ATOM 70 CG LYS A 5 5.263 0.561 3.024 1.00 0.00 C ATOM 71 CD LYS A 5 4.436 -0.442 3.831 1.00 0.00 C ATOM 72 CE LYS A 5 4.279 0.018 5.281 1.00 0.00 C ATOM 73 NZ LYS A 5 3.431 -0.931 6.037 1.00 0.00 N ATOM 0 HA LYS A 5 6.297 -1.110 1.367 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.790 1.481 1.130 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.980 -0.050 1.400 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.325 0.364 3.171 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.072 1.571 3.387 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.453 -0.559 3.374 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.918 -1.419 3.806 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.259 0.095 5.753 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.834 1.013 5.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.237 -0.545 6.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.534 -1.074 5.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.926 -1.841 6.129 1.00 0.00 H new ATOM 87 N SER A 6 4.625 -1.683 -0.565 1.00 0.00 N ATOM 88 CA SER A 6 4.102 -2.272 -1.786 1.00 0.00 C ATOM 89 C SER A 6 2.609 -2.567 -1.627 1.00 0.00 C ATOM 90 O SER A 6 2.100 -2.624 -0.510 1.00 0.00 O ATOM 91 CB SER A 6 4.860 -3.550 -2.150 1.00 0.00 C ATOM 92 OG SER A 6 4.291 -4.205 -3.281 1.00 0.00 O ATOM 0 H SER A 6 4.196 -2.029 0.293 1.00 0.00 H new ATOM 0 HA SER A 6 4.240 -1.557 -2.597 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.902 -3.307 -2.358 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.856 -4.229 -1.298 1.00 0.00 H new ATOM 0 HG SER A 6 4.804 -5.015 -3.482 1.00 0.00 H new ATOM 98 N SER A 7 1.950 -2.748 -2.763 1.00 0.00 N ATOM 99 CA SER A 7 0.526 -3.036 -2.764 1.00 0.00 C ATOM 100 C SER A 7 0.288 -4.500 -3.138 1.00 0.00 C ATOM 101 O SER A 7 1.003 -5.056 -3.971 1.00 0.00 O ATOM 102 CB SER A 7 -0.222 -2.115 -3.729 1.00 0.00 C ATOM 103 OG SER A 7 0.634 -1.596 -4.743 1.00 0.00 O ATOM 0 H SER A 7 2.376 -2.701 -3.688 1.00 0.00 H new ATOM 0 HA SER A 7 0.141 -2.856 -1.760 1.00 0.00 H new ATOM 0 HB2 SER A 7 -1.042 -2.664 -4.192 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.666 -1.290 -3.172 1.00 0.00 H new ATOM 0 HG SER A 7 1.100 -2.335 -5.187 1.00 0.00 H new ATOM 109 N ILE A 8 -0.717 -5.084 -2.503 1.00 0.00 N ATOM 110 CA ILE A 8 -1.057 -6.474 -2.758 1.00 0.00 C ATOM 111 C ILE A 8 -2.577 -6.643 -2.695 1.00 0.00 C ATOM 112 O ILE A 8 -3.146 -6.769 -1.613 1.00 0.00 O ATOM 113 CB ILE A 8 -0.296 -7.397 -1.804 1.00 0.00 C ATOM 114 CG1 ILE A 8 1.214 -7.293 -2.028 1.00 0.00 C ATOM 115 CG2 ILE A 8 -0.795 -8.838 -1.921 1.00 0.00 C ATOM 116 CD1 ILE A 8 1.835 -6.245 -1.103 1.00 0.00 C ATOM 0 H ILE A 8 -1.307 -4.620 -1.812 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.744 -6.764 -3.761 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.493 -7.070 -0.783 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.679 -8.262 -1.849 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.414 -7.030 -3.067 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -0.238 -9.473 -1.232 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.856 -8.877 -1.673 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.648 -9.192 -2.941 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.909 -6.191 -1.283 1.00 0.00 H new ATOM 0 HD12 ILE A 8 1.385 -5.272 -1.301 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.655 -6.523 -0.065 1.00 0.00 H new ATOM 128 N LEU A 9 -3.190 -6.639 -3.869 1.00 0.00 N ATOM 129 CA LEU A 9 -4.631 -6.789 -3.962 1.00 0.00 C ATOM 130 C LEU A 9 -4.984 -8.278 -3.988 1.00 0.00 C ATOM 131 O LEU A 9 -4.470 -9.026 -4.819 1.00 0.00 O ATOM 132 CB LEU A 9 -5.178 -6.007 -5.158 1.00 0.00 C ATOM 133 CG LEU A 9 -6.701 -5.914 -5.261 1.00 0.00 C ATOM 134 CD1 LEU A 9 -7.267 -4.977 -4.191 1.00 0.00 C ATOM 135 CD2 LEU A 9 -7.131 -5.503 -6.670 1.00 0.00 C ATOM 0 H LEU A 9 -2.714 -6.534 -4.765 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.114 -6.361 -3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.774 -4.995 -5.120 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.800 -6.467 -6.071 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.117 -6.904 -5.074 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.352 -4.929 -4.287 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.006 -5.354 -3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.847 -3.980 -4.321 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.218 -5.444 -6.716 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.705 -4.529 -6.911 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.777 -6.242 -7.389 1.00 0.00 H new ATOM 147 N LEU A 10 -5.858 -8.663 -3.071 1.00 0.00 N ATOM 148 CA LEU A 10 -6.285 -10.049 -2.979 1.00 0.00 C ATOM 149 C LEU A 10 -7.733 -10.166 -3.462 1.00 0.00 C ATOM 150 O LEU A 10 -8.503 -9.212 -3.359 1.00 0.00 O ATOM 151 CB LEU A 10 -6.064 -10.585 -1.563 1.00 0.00 C ATOM 152 CG LEU A 10 -4.672 -11.145 -1.267 1.00 0.00 C ATOM 153 CD1 LEU A 10 -3.595 -10.080 -1.486 1.00 0.00 C ATOM 154 CD2 LEU A 10 -4.608 -11.743 0.140 1.00 0.00 C ATOM 0 H LEU A 10 -6.283 -8.039 -2.385 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.679 -10.678 -3.631 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.268 -9.781 -0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.797 -11.369 -1.374 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.474 -11.954 -1.970 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.615 -10.504 -1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.623 -9.742 -2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.780 -9.234 -0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.607 -12.134 0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.837 -10.971 0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.334 -12.551 0.225 1.00 0.00 H new ATOM 166 N ASP A 11 -8.057 -11.341 -3.978 1.00 0.00 N ATOM 167 CA ASP A 11 -9.398 -11.595 -4.477 1.00 0.00 C ATOM 168 C ASP A 11 -9.927 -12.896 -3.869 1.00 0.00 C ATOM 169 O ASP A 11 -9.843 -13.954 -4.490 1.00 0.00 O ATOM 170 CB ASP A 11 -9.399 -11.750 -5.999 1.00 0.00 C ATOM 171 CG ASP A 11 -9.998 -10.571 -6.769 1.00 0.00 C ATOM 172 OD1 ASP A 11 -11.141 -10.160 -6.334 1.00 0.00 O ATOM 173 OD2 ASP A 11 -9.403 -10.071 -7.735 1.00 0.00 O ATOM 0 H ASP A 11 -7.414 -12.129 -4.062 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.026 -10.749 -4.200 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -8.373 -11.900 -6.335 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.954 -12.652 -6.257 1.00 0.00 H new ATOM 178 N VAL A 12 -10.459 -12.774 -2.662 1.00 0.00 N ATOM 179 CA VAL A 12 -11.001 -13.927 -1.963 1.00 0.00 C ATOM 180 C VAL A 12 -12.463 -14.122 -2.369 1.00 0.00 C ATOM 181 O VAL A 12 -13.188 -13.151 -2.578 1.00 0.00 O ATOM 182 CB VAL A 12 -10.817 -13.758 -0.454 1.00 0.00 C ATOM 183 CG1 VAL A 12 -11.056 -15.080 0.278 1.00 0.00 C ATOM 184 CG2 VAL A 12 -9.431 -13.196 -0.131 1.00 0.00 C ATOM 0 H VAL A 12 -10.526 -11.894 -2.150 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.462 -14.832 -2.243 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.560 -13.041 -0.103 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.919 -14.933 1.349 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.072 -15.424 0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.347 -15.827 -0.079 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.326 -13.085 0.948 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.666 -13.878 -0.502 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.312 -12.223 -0.609 1.00 0.00 H new ATOM 194 N LYS A 13 -12.853 -15.385 -2.467 1.00 0.00 N ATOM 195 CA LYS A 13 -14.217 -15.720 -2.843 1.00 0.00 C ATOM 196 C LYS A 13 -14.936 -16.337 -1.642 1.00 0.00 C ATOM 197 O LYS A 13 -14.397 -17.222 -0.978 1.00 0.00 O ATOM 198 CB LYS A 13 -14.226 -16.609 -4.088 1.00 0.00 C ATOM 199 CG LYS A 13 -15.313 -16.166 -5.070 1.00 0.00 C ATOM 200 CD LYS A 13 -14.744 -16.006 -6.482 1.00 0.00 C ATOM 201 CE LYS A 13 -15.833 -15.576 -7.465 1.00 0.00 C ATOM 202 NZ LYS A 13 -16.049 -16.620 -8.490 1.00 0.00 N ATOM 0 H LYS A 13 -12.249 -16.188 -2.293 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.768 -14.821 -3.117 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -13.252 -16.568 -4.575 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -14.394 -17.646 -3.798 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.120 -16.899 -5.080 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -15.745 -15.221 -4.739 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.944 -15.266 -6.474 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -14.304 -16.948 -6.810 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -16.762 -15.388 -6.927 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -15.548 -14.640 -7.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -16.792 -16.311 -9.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -15.165 -16.780 -9.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -16.342 -17.505 -8.028 1.00 0.00 H new ATOM 216 N PRO A 14 -16.174 -15.832 -1.391 1.00 0.00 N ATOM 217 CA PRO A 14 -16.972 -16.325 -0.282 1.00 0.00 C ATOM 218 C PRO A 14 -17.559 -17.703 -0.597 1.00 0.00 C ATOM 219 O PRO A 14 -17.633 -18.098 -1.759 1.00 0.00 O ATOM 220 CB PRO A 14 -18.037 -15.262 -0.061 1.00 0.00 C ATOM 221 CG PRO A 14 -18.083 -14.446 -1.343 1.00 0.00 C ATOM 222 CD PRO A 14 -16.844 -14.784 -2.157 1.00 0.00 C ATOM 0 HA PRO A 14 -16.385 -16.477 0.624 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -19.005 -15.717 0.148 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -17.789 -14.633 0.794 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -18.986 -14.676 -1.909 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -18.111 -13.380 -1.116 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -17.108 -15.131 -3.156 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -16.202 -13.912 -2.282 1.00 0.00 H new ATOM 230 N TRP A 15 -17.962 -18.394 0.459 1.00 0.00 N ATOM 231 CA TRP A 15 -18.540 -19.718 0.309 1.00 0.00 C ATOM 232 C TRP A 15 -19.899 -19.567 -0.376 1.00 0.00 C ATOM 233 O TRP A 15 -20.325 -20.449 -1.120 1.00 0.00 O ATOM 234 CB TRP A 15 -18.627 -20.434 1.659 1.00 0.00 C ATOM 235 CG TRP A 15 -17.647 -21.601 1.809 1.00 0.00 C ATOM 236 CD1 TRP A 15 -16.897 -21.917 2.874 1.00 0.00 C ATOM 237 CD2 TRP A 15 -17.342 -22.601 0.813 1.00 0.00 C ATOM 238 NE1 TRP A 15 -16.134 -23.041 2.639 1.00 0.00 N ATOM 239 CE2 TRP A 15 -16.413 -23.471 1.347 1.00 0.00 C ATOM 240 CE3 TRP A 15 -17.835 -22.764 -0.492 1.00 0.00 C ATOM 241 CZ2 TRP A 15 -15.895 -24.565 0.642 1.00 0.00 C ATOM 242 CZ3 TRP A 15 -17.308 -23.862 -1.183 1.00 0.00 C ATOM 243 CH2 TRP A 15 -16.372 -24.748 -0.661 1.00 0.00 C ATOM 0 H TRP A 15 -17.900 -18.062 1.421 1.00 0.00 H new ATOM 0 HA TRP A 15 -17.905 -20.347 -0.314 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -18.441 -19.712 2.454 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -19.642 -20.806 1.797 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -16.891 -21.361 3.800 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -15.484 -23.477 3.293 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -18.563 -22.096 -0.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -15.167 -25.231 1.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -17.653 -24.033 -2.192 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -16.015 -25.574 -1.258 1.00 0.00 H new ATOM 254 N ASP A 16 -20.543 -18.442 -0.100 1.00 0.00 N ATOM 255 CA ASP A 16 -21.846 -18.164 -0.680 1.00 0.00 C ATOM 256 C ASP A 16 -22.401 -16.872 -0.078 1.00 0.00 C ATOM 257 O ASP A 16 -21.706 -16.179 0.663 1.00 0.00 O ATOM 258 CB ASP A 16 -22.835 -19.290 -0.377 1.00 0.00 C ATOM 259 CG ASP A 16 -23.346 -20.051 -1.602 1.00 0.00 C ATOM 260 OD1 ASP A 16 -22.698 -20.991 -2.087 1.00 0.00 O ATOM 261 OD2 ASP A 16 -24.474 -19.635 -2.070 1.00 0.00 O ATOM 0 H ASP A 16 -20.187 -17.713 0.518 1.00 0.00 H new ATOM 0 HA ASP A 16 -21.723 -18.074 -1.759 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -22.358 -19.999 0.299 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -23.690 -18.869 0.153 1.00 0.00 H new ATOM 266 N ASP A 17 -23.650 -16.587 -0.419 1.00 0.00 N ATOM 267 CA ASP A 17 -24.307 -15.390 0.078 1.00 0.00 C ATOM 268 C ASP A 17 -24.336 -15.427 1.608 1.00 0.00 C ATOM 269 O ASP A 17 -24.464 -14.389 2.255 1.00 0.00 O ATOM 270 CB ASP A 17 -25.750 -15.307 -0.420 1.00 0.00 C ATOM 271 CG ASP A 17 -26.703 -14.521 0.484 1.00 0.00 C ATOM 272 OD1 ASP A 17 -26.634 -13.286 0.563 1.00 0.00 O ATOM 273 OD2 ASP A 17 -27.554 -15.240 1.134 1.00 0.00 O ATOM 0 H ASP A 17 -24.224 -17.165 -1.033 1.00 0.00 H new ATOM 0 HA ASP A 17 -23.751 -14.525 -0.283 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -25.751 -14.849 -1.409 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -26.137 -16.319 -0.537 1.00 0.00 H new ATOM 278 N GLU A 18 -24.215 -16.635 2.141 1.00 0.00 N ATOM 279 CA GLU A 18 -24.225 -16.821 3.581 1.00 0.00 C ATOM 280 C GLU A 18 -22.958 -16.228 4.203 1.00 0.00 C ATOM 281 O GLU A 18 -23.008 -15.642 5.283 1.00 0.00 O ATOM 282 CB GLU A 18 -24.373 -18.299 3.942 1.00 0.00 C ATOM 283 CG GLU A 18 -23.151 -19.100 3.488 1.00 0.00 C ATOM 284 CD GLU A 18 -23.345 -20.595 3.753 1.00 0.00 C ATOM 285 OE1 GLU A 18 -24.396 -21.154 3.408 1.00 0.00 O ATOM 286 OE2 GLU A 18 -22.353 -21.176 4.339 1.00 0.00 O ATOM 0 H GLU A 18 -24.110 -17.494 1.601 1.00 0.00 H new ATOM 0 HA GLU A 18 -25.087 -16.293 3.989 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -24.500 -18.403 5.020 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -25.271 -18.703 3.475 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -22.978 -18.935 2.424 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -22.264 -18.746 4.014 1.00 0.00 H new ATOM 293 N THR A 19 -21.853 -16.403 3.493 1.00 0.00 N ATOM 294 CA THR A 19 -20.575 -15.893 3.961 1.00 0.00 C ATOM 295 C THR A 19 -20.721 -14.448 4.442 1.00 0.00 C ATOM 296 O THR A 19 -20.899 -13.537 3.634 1.00 0.00 O ATOM 297 CB THR A 19 -19.557 -16.059 2.831 1.00 0.00 C ATOM 298 OG1 THR A 19 -19.380 -17.469 2.727 1.00 0.00 O ATOM 299 CG2 THR A 19 -18.171 -15.536 3.211 1.00 0.00 C ATOM 0 H THR A 19 -21.816 -16.890 2.598 1.00 0.00 H new ATOM 0 HA THR A 19 -20.217 -16.454 4.824 1.00 0.00 H new ATOM 0 HB THR A 19 -19.912 -15.535 1.943 1.00 0.00 H new ATOM 0 HG1 THR A 19 -18.650 -17.751 3.316 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.487 -15.678 2.374 1.00 0.00 H new ATOM 0 HG22 THR A 19 -18.236 -14.475 3.451 1.00 0.00 H new ATOM 0 HG23 THR A 19 -17.801 -16.082 4.079 1.00 0.00 H new ATOM 307 N ASP A 20 -20.640 -14.282 5.753 1.00 0.00 N ATOM 308 CA ASP A 20 -20.761 -12.964 6.351 1.00 0.00 C ATOM 309 C ASP A 20 -19.728 -12.027 5.719 1.00 0.00 C ATOM 310 O ASP A 20 -18.590 -11.949 6.181 1.00 0.00 O ATOM 311 CB ASP A 20 -20.495 -13.014 7.856 1.00 0.00 C ATOM 312 CG ASP A 20 -21.336 -12.048 8.694 1.00 0.00 C ATOM 313 OD1 ASP A 20 -21.429 -10.850 8.386 1.00 0.00 O ATOM 314 OD2 ASP A 20 -21.917 -12.577 9.716 1.00 0.00 O ATOM 0 H ASP A 20 -20.492 -15.040 6.419 1.00 0.00 H new ATOM 0 HA ASP A 20 -21.776 -12.607 6.177 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -20.676 -14.029 8.208 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -19.441 -12.800 8.031 1.00 0.00 H new ATOM 319 N MET A 21 -20.161 -11.339 4.673 1.00 0.00 N ATOM 320 CA MET A 21 -19.289 -10.410 3.975 1.00 0.00 C ATOM 321 C MET A 21 -18.768 -9.329 4.922 1.00 0.00 C ATOM 322 O MET A 21 -17.591 -8.975 4.879 1.00 0.00 O ATOM 323 CB MET A 21 -20.057 -9.755 2.825 1.00 0.00 C ATOM 324 CG MET A 21 -20.203 -10.717 1.645 1.00 0.00 C ATOM 325 SD MET A 21 -19.973 -9.838 0.108 1.00 0.00 S ATOM 326 CE MET A 21 -19.061 -11.063 -0.817 1.00 0.00 C ATOM 0 H MET A 21 -21.105 -11.406 4.292 1.00 0.00 H new ATOM 0 HA MET A 21 -18.436 -10.965 3.585 1.00 0.00 H new ATOM 0 HB2 MET A 21 -21.043 -9.446 3.171 1.00 0.00 H new ATOM 0 HB3 MET A 21 -19.536 -8.854 2.502 1.00 0.00 H new ATOM 0 HG2 MET A 21 -19.471 -11.520 1.727 1.00 0.00 H new ATOM 0 HG3 MET A 21 -21.189 -11.182 1.664 1.00 0.00 H new ATOM 0 HE1 MET A 21 -18.299 -10.570 -1.421 1.00 0.00 H new ATOM 0 HE2 MET A 21 -18.583 -11.759 -0.127 1.00 0.00 H new ATOM 0 HE3 MET A 21 -19.743 -11.609 -1.469 1.00 0.00 H new ATOM 336 N ALA A 22 -19.671 -8.833 5.757 1.00 0.00 N ATOM 337 CA ALA A 22 -19.316 -7.799 6.715 1.00 0.00 C ATOM 338 C ALA A 22 -18.198 -8.313 7.624 1.00 0.00 C ATOM 339 O ALA A 22 -17.258 -7.581 7.932 1.00 0.00 O ATOM 340 CB ALA A 22 -20.561 -7.382 7.499 1.00 0.00 C ATOM 0 H ALA A 22 -20.647 -9.128 5.790 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.941 -6.913 6.203 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -20.296 -6.607 8.218 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -21.313 -6.996 6.810 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -20.963 -8.245 8.029 1.00 0.00 H new ATOM 346 N LYS A 23 -18.338 -9.567 8.029 1.00 0.00 N ATOM 347 CA LYS A 23 -17.351 -10.187 8.897 1.00 0.00 C ATOM 348 C LYS A 23 -16.053 -10.398 8.116 1.00 0.00 C ATOM 349 O LYS A 23 -14.988 -9.954 8.542 1.00 0.00 O ATOM 350 CB LYS A 23 -17.913 -11.468 9.516 1.00 0.00 C ATOM 351 CG LYS A 23 -17.331 -11.704 10.911 1.00 0.00 C ATOM 352 CD LYS A 23 -18.415 -11.587 11.985 1.00 0.00 C ATOM 353 CE LYS A 23 -17.807 -11.225 13.340 1.00 0.00 C ATOM 354 NZ LYS A 23 -18.392 -9.965 13.851 1.00 0.00 N ATOM 0 H LYS A 23 -19.120 -10.170 7.772 1.00 0.00 H new ATOM 0 HA LYS A 23 -17.115 -9.532 9.736 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -18.999 -11.400 9.578 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -17.683 -12.318 8.874 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -16.875 -12.693 10.956 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -16.541 -10.979 11.107 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -19.140 -10.827 11.693 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -18.956 -12.530 12.065 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -17.985 -12.031 14.052 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -16.727 -11.118 13.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -17.968 -9.734 14.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -18.200 -9.195 13.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -19.420 -10.079 13.962 1.00 0.00 H new ATOM 368 N LEU A 24 -16.182 -11.080 6.987 1.00 0.00 N ATOM 369 CA LEU A 24 -15.033 -11.355 6.143 1.00 0.00 C ATOM 370 C LEU A 24 -14.346 -10.038 5.776 1.00 0.00 C ATOM 371 O LEU A 24 -13.120 -9.952 5.779 1.00 0.00 O ATOM 372 CB LEU A 24 -15.446 -12.192 4.930 1.00 0.00 C ATOM 373 CG LEU A 24 -14.469 -13.289 4.506 1.00 0.00 C ATOM 374 CD1 LEU A 24 -15.148 -14.304 3.585 1.00 0.00 C ATOM 375 CD2 LEU A 24 -13.213 -12.690 3.872 1.00 0.00 C ATOM 0 H LEU A 24 -17.066 -11.450 6.638 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.301 -11.957 6.682 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -16.409 -12.655 5.144 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -15.596 -11.520 4.085 1.00 0.00 H new ATOM 0 HG LEU A 24 -14.153 -13.827 5.399 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -14.430 -15.073 3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -15.986 -14.766 4.107 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -15.513 -13.797 2.691 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.535 -13.492 3.580 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.491 -12.111 2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.717 -12.040 4.592 1.00 0.00 H new ATOM 387 N GLU A 25 -15.167 -9.046 5.469 1.00 0.00 N ATOM 388 CA GLU A 25 -14.655 -7.737 5.100 1.00 0.00 C ATOM 389 C GLU A 25 -14.015 -7.057 6.313 1.00 0.00 C ATOM 390 O GLU A 25 -12.916 -6.513 6.217 1.00 0.00 O ATOM 391 CB GLU A 25 -15.760 -6.864 4.501 1.00 0.00 C ATOM 392 CG GLU A 25 -15.167 -5.684 3.728 1.00 0.00 C ATOM 393 CD GLU A 25 -16.101 -4.473 3.776 1.00 0.00 C ATOM 394 OE1 GLU A 25 -16.358 -4.028 4.960 1.00 0.00 O ATOM 395 OE2 GLU A 25 -16.550 -3.994 2.724 1.00 0.00 O ATOM 0 H GLU A 25 -16.184 -9.122 5.468 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.889 -7.870 4.336 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -16.382 -7.463 3.836 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -16.408 -6.494 5.296 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -14.198 -5.418 4.151 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.994 -5.974 2.692 1.00 0.00 H new ATOM 402 N GLU A 26 -14.731 -7.110 7.427 1.00 0.00 N ATOM 403 CA GLU A 26 -14.248 -6.505 8.656 1.00 0.00 C ATOM 404 C GLU A 26 -12.996 -7.234 9.149 1.00 0.00 C ATOM 405 O GLU A 26 -11.919 -6.645 9.223 1.00 0.00 O ATOM 406 CB GLU A 26 -15.337 -6.500 9.730 1.00 0.00 C ATOM 407 CG GLU A 26 -16.339 -5.368 9.490 1.00 0.00 C ATOM 408 CD GLU A 26 -15.916 -4.096 10.228 1.00 0.00 C ATOM 409 OE1 GLU A 26 -14.712 -3.844 10.390 1.00 0.00 O ATOM 410 OE2 GLU A 26 -16.888 -3.356 10.641 1.00 0.00 O ATOM 0 H GLU A 26 -15.642 -7.563 7.504 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.984 -5.468 8.448 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.858 -7.458 9.729 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.882 -6.385 10.714 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -16.415 -5.165 8.422 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.329 -5.676 9.827 1.00 0.00 H new ATOM 417 N CYS A 27 -13.179 -8.506 9.473 1.00 0.00 N ATOM 418 CA CYS A 27 -12.078 -9.321 9.957 1.00 0.00 C ATOM 419 C CYS A 27 -10.842 -9.010 9.109 1.00 0.00 C ATOM 420 O CYS A 27 -9.804 -8.617 9.640 1.00 0.00 O ATOM 421 CB CYS A 27 -12.425 -10.810 9.935 1.00 0.00 C ATOM 422 SG CYS A 27 -11.734 -11.636 11.415 1.00 0.00 S ATOM 0 H CYS A 27 -14.074 -8.992 9.410 1.00 0.00 H new ATOM 0 HA CYS A 27 -11.873 -9.078 11.000 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -13.507 -10.939 9.908 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -12.026 -11.271 9.032 1.00 0.00 H new ATOM 0 HG CYS A 27 -12.036 -12.900 11.387 1.00 0.00 H new ATOM 428 N VAL A 28 -10.994 -9.199 7.807 1.00 0.00 N ATOM 429 CA VAL A 28 -9.905 -8.944 6.880 1.00 0.00 C ATOM 430 C VAL A 28 -9.156 -7.682 7.314 1.00 0.00 C ATOM 431 O VAL A 28 -7.928 -7.661 7.338 1.00 0.00 O ATOM 432 CB VAL A 28 -10.441 -8.860 5.450 1.00 0.00 C ATOM 433 CG1 VAL A 28 -9.591 -7.913 4.600 1.00 0.00 C ATOM 434 CG2 VAL A 28 -10.522 -10.247 4.812 1.00 0.00 C ATOM 0 H VAL A 28 -11.856 -9.526 7.371 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.191 -9.767 6.895 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.451 -8.453 5.495 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.994 -7.872 3.588 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.609 -6.915 5.039 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.564 -8.277 4.567 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.906 -10.158 3.796 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.528 -10.694 4.787 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -11.189 -10.879 5.398 1.00 0.00 H new ATOM 444 N ARG A 29 -9.932 -6.660 7.647 1.00 0.00 N ATOM 445 CA ARG A 29 -9.358 -5.396 8.078 1.00 0.00 C ATOM 446 C ARG A 29 -8.816 -5.518 9.505 1.00 0.00 C ATOM 447 O ARG A 29 -7.715 -5.055 9.796 1.00 0.00 O ATOM 448 CB ARG A 29 -10.398 -4.274 8.030 1.00 0.00 C ATOM 449 CG ARG A 29 -10.567 -3.745 6.605 1.00 0.00 C ATOM 450 CD ARG A 29 -11.814 -2.867 6.490 1.00 0.00 C ATOM 451 NE ARG A 29 -11.425 -1.467 6.209 1.00 0.00 N ATOM 452 CZ ARG A 29 -12.270 -0.428 6.259 1.00 0.00 C ATOM 453 NH1 ARG A 29 -13.555 -0.625 6.579 1.00 0.00 N ATOM 454 NH2 ARG A 29 -11.828 0.808 5.990 1.00 0.00 N ATOM 0 H ARG A 29 -10.952 -6.681 7.627 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.544 -5.152 7.396 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.354 -4.643 8.401 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.093 -3.462 8.690 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.686 -3.170 6.320 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -10.641 -4.581 5.909 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -12.459 -3.240 5.695 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -12.389 -2.915 7.415 1.00 0.00 H new ATOM 0 HE ARG A 29 -10.453 -1.281 5.962 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -13.891 -1.566 6.785 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -14.198 0.166 6.617 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.849 0.958 5.747 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -12.471 1.599 6.028 1.00 0.00 H new ATOM 468 N SER A 30 -9.616 -6.145 10.355 1.00 0.00 N ATOM 469 CA SER A 30 -9.231 -6.335 11.743 1.00 0.00 C ATOM 470 C SER A 30 -7.821 -6.923 11.819 1.00 0.00 C ATOM 471 O SER A 30 -7.037 -6.556 12.693 1.00 0.00 O ATOM 472 CB SER A 30 -10.225 -7.241 12.473 1.00 0.00 C ATOM 473 OG SER A 30 -9.916 -8.621 12.299 1.00 0.00 O ATOM 0 H SER A 30 -10.529 -6.528 10.109 1.00 0.00 H new ATOM 0 HA SER A 30 -9.239 -5.363 12.236 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.222 -7.000 13.536 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.232 -7.046 12.104 1.00 0.00 H new ATOM 0 HG SER A 30 -9.786 -8.809 11.346 1.00 0.00 H new ATOM 479 N ILE A 31 -7.542 -7.828 10.893 1.00 0.00 N ATOM 480 CA ILE A 31 -6.240 -8.473 10.843 1.00 0.00 C ATOM 481 C ILE A 31 -5.146 -7.417 11.018 1.00 0.00 C ATOM 482 O ILE A 31 -5.107 -6.431 10.284 1.00 0.00 O ATOM 483 CB ILE A 31 -6.098 -9.299 9.564 1.00 0.00 C ATOM 484 CG1 ILE A 31 -7.134 -10.423 9.519 1.00 0.00 C ATOM 485 CG2 ILE A 31 -4.671 -9.826 9.407 1.00 0.00 C ATOM 486 CD1 ILE A 31 -7.207 -11.047 8.125 1.00 0.00 C ATOM 0 H ILE A 31 -8.195 -8.131 10.171 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.135 -9.182 11.664 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.295 -8.647 8.713 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.877 -11.189 10.251 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -8.112 -10.032 9.798 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.598 -10.410 8.490 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.977 -8.987 9.360 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.420 -10.457 10.260 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.951 -11.843 8.121 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.488 -10.284 7.399 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.233 -11.459 7.859 1.00 0.00 H new ATOM 498 N GLN A 32 -4.285 -7.659 11.996 1.00 0.00 N ATOM 499 CA GLN A 32 -3.195 -6.741 12.277 1.00 0.00 C ATOM 500 C GLN A 32 -1.871 -7.502 12.371 1.00 0.00 C ATOM 501 O GLN A 32 -1.726 -8.402 13.197 1.00 0.00 O ATOM 502 CB GLN A 32 -3.462 -5.945 13.556 1.00 0.00 C ATOM 503 CG GLN A 32 -3.485 -4.442 13.272 1.00 0.00 C ATOM 504 CD GLN A 32 -3.788 -3.649 14.545 1.00 0.00 C ATOM 505 OE1 GLN A 32 -4.443 -4.121 15.460 1.00 0.00 O ATOM 506 NE2 GLN A 32 -3.278 -2.420 14.551 1.00 0.00 N ATOM 0 H GLN A 32 -4.321 -8.478 12.603 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.125 -6.029 11.454 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.415 -6.252 13.987 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.692 -6.167 14.294 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.523 -4.130 12.865 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.238 -4.223 12.515 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.739 -2.088 13.751 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.426 -1.810 15.355 1.00 0.00 H new ATOM 515 N ALA A 33 -0.939 -7.115 11.513 1.00 0.00 N ATOM 516 CA ALA A 33 0.368 -7.750 11.490 1.00 0.00 C ATOM 517 C ALA A 33 1.454 -6.675 11.561 1.00 0.00 C ATOM 518 O ALA A 33 1.168 -5.488 11.421 1.00 0.00 O ATOM 519 CB ALA A 33 0.490 -8.621 10.237 1.00 0.00 C ATOM 0 H ALA A 33 -1.063 -6.369 10.828 1.00 0.00 H new ATOM 0 HA ALA A 33 0.493 -8.402 12.354 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.470 -9.098 10.219 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.286 -9.387 10.249 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.372 -8.000 9.349 1.00 0.00 H new ATOM 525 N ASP A 34 2.680 -7.131 11.777 1.00 0.00 N ATOM 526 CA ASP A 34 3.810 -6.222 11.868 1.00 0.00 C ATOM 527 C ASP A 34 4.078 -5.609 10.492 1.00 0.00 C ATOM 528 O ASP A 34 3.945 -6.283 9.471 1.00 0.00 O ATOM 529 CB ASP A 34 5.075 -6.960 12.311 1.00 0.00 C ATOM 530 CG ASP A 34 6.243 -6.057 12.712 1.00 0.00 C ATOM 531 OD1 ASP A 34 6.139 -5.263 13.658 1.00 0.00 O ATOM 532 OD2 ASP A 34 7.309 -6.196 12.000 1.00 0.00 O ATOM 0 H ASP A 34 2.915 -8.117 11.891 1.00 0.00 H new ATOM 0 HA ASP A 34 3.566 -5.452 12.600 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.826 -7.603 13.155 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.401 -7.611 11.500 1.00 0.00 H new ATOM 537 N GLY A 35 4.450 -4.338 10.509 1.00 0.00 N ATOM 538 CA GLY A 35 4.738 -3.626 9.275 1.00 0.00 C ATOM 539 C GLY A 35 3.677 -3.919 8.212 1.00 0.00 C ATOM 540 O GLY A 35 3.948 -3.826 7.016 1.00 0.00 O ATOM 0 H GLY A 35 4.559 -3.782 11.357 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.776 -2.554 9.470 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.720 -3.918 8.903 1.00 0.00 H new ATOM 544 N LEU A 36 2.490 -4.269 8.687 1.00 0.00 N ATOM 545 CA LEU A 36 1.387 -4.576 7.793 1.00 0.00 C ATOM 546 C LEU A 36 0.379 -3.426 7.819 1.00 0.00 C ATOM 547 O LEU A 36 -0.065 -3.009 8.888 1.00 0.00 O ATOM 548 CB LEU A 36 0.778 -5.936 8.141 1.00 0.00 C ATOM 549 CG LEU A 36 -0.568 -6.255 7.489 1.00 0.00 C ATOM 550 CD1 LEU A 36 -0.671 -7.742 7.140 1.00 0.00 C ATOM 551 CD2 LEU A 36 -1.729 -5.791 8.372 1.00 0.00 C ATOM 0 H LEU A 36 2.269 -4.347 9.680 1.00 0.00 H new ATOM 0 HA LEU A 36 1.742 -4.665 6.766 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.489 -6.713 7.859 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.657 -5.992 9.223 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.634 -5.700 6.553 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.638 -7.941 6.678 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.125 -8.009 6.445 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.574 -8.337 8.048 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.674 -6.030 7.885 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.679 -6.298 9.335 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.662 -4.714 8.525 1.00 0.00 H new ATOM 563 N VAL A 37 0.046 -2.945 6.630 1.00 0.00 N ATOM 564 CA VAL A 37 -0.901 -1.852 6.503 1.00 0.00 C ATOM 565 C VAL A 37 -2.128 -2.332 5.724 1.00 0.00 C ATOM 566 O VAL A 37 -2.003 -3.125 4.792 1.00 0.00 O ATOM 567 CB VAL A 37 -0.221 -0.641 5.861 1.00 0.00 C ATOM 568 CG1 VAL A 37 -1.249 0.281 5.203 1.00 0.00 C ATOM 569 CG2 VAL A 37 0.624 0.120 6.883 1.00 0.00 C ATOM 0 H VAL A 37 0.416 -3.293 5.746 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.246 -1.531 7.486 1.00 0.00 H new ATOM 0 HB VAL A 37 0.447 -1.007 5.081 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.739 1.133 4.755 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.787 -0.267 4.430 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.954 0.635 5.955 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.096 0.976 6.400 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.014 0.468 7.695 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.393 -0.541 7.283 1.00 0.00 H new ATOM 579 N TRP A 38 -3.283 -1.832 6.134 1.00 0.00 N ATOM 580 CA TRP A 38 -4.531 -2.199 5.486 1.00 0.00 C ATOM 581 C TRP A 38 -5.035 -0.984 4.706 1.00 0.00 C ATOM 582 O TRP A 38 -5.486 -0.005 5.298 1.00 0.00 O ATOM 583 CB TRP A 38 -5.546 -2.719 6.506 1.00 0.00 C ATOM 584 CG TRP A 38 -5.496 -4.233 6.719 1.00 0.00 C ATOM 585 CD1 TRP A 38 -5.344 -4.899 7.871 1.00 0.00 C ATOM 586 CD2 TRP A 38 -5.606 -5.248 5.699 1.00 0.00 C ATOM 587 NE1 TRP A 38 -5.347 -6.265 7.671 1.00 0.00 N ATOM 588 CE2 TRP A 38 -5.512 -6.483 6.308 1.00 0.00 C ATOM 589 CE3 TRP A 38 -5.778 -5.128 4.310 1.00 0.00 C ATOM 590 CZ2 TRP A 38 -5.579 -7.692 5.604 1.00 0.00 C ATOM 591 CZ3 TRP A 38 -5.844 -6.344 3.621 1.00 0.00 C ATOM 592 CH2 TRP A 38 -5.751 -7.597 4.218 1.00 0.00 C ATOM 0 H TRP A 38 -3.382 -1.175 6.908 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.375 -3.020 4.786 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.373 -2.222 7.461 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.548 -2.441 6.179 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.233 -4.427 8.836 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.247 -6.981 8.390 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -5.853 -4.172 3.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -5.502 -8.646 6.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -5.977 -6.307 2.550 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -5.811 -8.491 3.616 1.00 0.00 H new ATOM 603 N GLY A 39 -4.940 -1.086 3.388 1.00 0.00 N ATOM 604 CA GLY A 39 -5.382 -0.008 2.520 1.00 0.00 C ATOM 605 C GLY A 39 -6.907 0.012 2.401 1.00 0.00 C ATOM 606 O GLY A 39 -7.613 -0.101 3.402 1.00 0.00 O ATOM 0 H GLY A 39 -4.563 -1.899 2.900 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.032 0.947 2.913 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.938 -0.127 1.532 1.00 0.00 H new ATOM 610 N SER A 40 -7.370 0.155 1.167 1.00 0.00 N ATOM 611 CA SER A 40 -8.798 0.190 0.904 1.00 0.00 C ATOM 612 C SER A 40 -9.216 -1.055 0.119 1.00 0.00 C ATOM 613 O SER A 40 -8.556 -1.433 -0.848 1.00 0.00 O ATOM 614 CB SER A 40 -9.186 1.456 0.138 1.00 0.00 C ATOM 615 OG SER A 40 -10.599 1.590 0.010 1.00 0.00 O ATOM 0 H SER A 40 -6.781 0.248 0.339 1.00 0.00 H new ATOM 0 HA SER A 40 -9.322 0.202 1.860 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.784 2.329 0.653 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.733 1.434 -0.853 1.00 0.00 H new ATOM 0 HG SER A 40 -10.806 2.411 -0.483 1.00 0.00 H new ATOM 621 N SER A 41 -10.309 -1.657 0.564 1.00 0.00 N ATOM 622 CA SER A 41 -10.822 -2.851 -0.085 1.00 0.00 C ATOM 623 C SER A 41 -11.762 -2.462 -1.229 1.00 0.00 C ATOM 624 O SER A 41 -12.144 -1.300 -1.355 1.00 0.00 O ATOM 625 CB SER A 41 -11.549 -3.752 0.915 1.00 0.00 C ATOM 626 OG SER A 41 -12.713 -3.128 1.449 1.00 0.00 O ATOM 0 H SER A 41 -10.853 -1.340 1.366 1.00 0.00 H new ATOM 0 HA SER A 41 -9.978 -3.409 -0.490 1.00 0.00 H new ATOM 0 HB2 SER A 41 -11.830 -4.684 0.425 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.871 -4.011 1.728 1.00 0.00 H new ATOM 0 HG SER A 41 -13.149 -3.736 2.082 1.00 0.00 H new ATOM 632 N LYS A 42 -12.107 -3.458 -2.033 1.00 0.00 N ATOM 633 CA LYS A 42 -12.994 -3.234 -3.162 1.00 0.00 C ATOM 634 C LYS A 42 -14.031 -4.357 -3.220 1.00 0.00 C ATOM 635 O LYS A 42 -13.795 -5.452 -2.710 1.00 0.00 O ATOM 636 CB LYS A 42 -12.188 -3.074 -4.453 1.00 0.00 C ATOM 637 CG LYS A 42 -10.867 -2.349 -4.188 1.00 0.00 C ATOM 638 CD LYS A 42 -10.228 -1.879 -5.497 1.00 0.00 C ATOM 639 CE LYS A 42 -11.122 -0.864 -6.210 1.00 0.00 C ATOM 640 NZ LYS A 42 -10.427 0.437 -6.342 1.00 0.00 N ATOM 0 H LYS A 42 -11.788 -4.421 -1.925 1.00 0.00 H new ATOM 0 HA LYS A 42 -13.541 -2.300 -3.037 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.989 -4.055 -4.885 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.773 -2.516 -5.184 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.042 -1.493 -3.537 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.182 -3.014 -3.663 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.256 -1.431 -5.291 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.053 -2.735 -6.148 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.394 -1.240 -7.197 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.049 -0.733 -5.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.048 1.115 -6.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.190 0.801 -5.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.554 0.310 -6.893 1.00 0.00 H new ATOM 654 N LEU A 43 -15.156 -4.048 -3.846 1.00 0.00 N ATOM 655 CA LEU A 43 -16.231 -5.017 -3.977 1.00 0.00 C ATOM 656 C LEU A 43 -16.529 -5.243 -5.460 1.00 0.00 C ATOM 657 O LEU A 43 -16.360 -4.339 -6.277 1.00 0.00 O ATOM 658 CB LEU A 43 -17.450 -4.578 -3.165 1.00 0.00 C ATOM 659 CG LEU A 43 -17.573 -5.177 -1.761 1.00 0.00 C ATOM 660 CD1 LEU A 43 -17.468 -6.702 -1.806 1.00 0.00 C ATOM 661 CD2 LEU A 43 -16.546 -4.559 -0.811 1.00 0.00 C ATOM 0 H LEU A 43 -15.347 -3.140 -4.269 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.930 -5.979 -3.561 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -17.429 -3.492 -3.074 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -18.348 -4.834 -3.728 1.00 0.00 H new ATOM 0 HG LEU A 43 -18.561 -4.934 -1.370 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -17.558 -7.103 -0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -18.267 -7.104 -2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -16.503 -6.988 -2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -16.654 -5.001 0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.541 -4.751 -1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -16.710 -3.483 -0.748 1.00 0.00 H new ATOM 673 N VAL A 44 -16.969 -6.456 -5.765 1.00 0.00 N ATOM 674 CA VAL A 44 -17.292 -6.813 -7.135 1.00 0.00 C ATOM 675 C VAL A 44 -18.315 -7.951 -7.134 1.00 0.00 C ATOM 676 O VAL A 44 -17.958 -9.109 -6.923 1.00 0.00 O ATOM 677 CB VAL A 44 -16.014 -7.158 -7.902 1.00 0.00 C ATOM 678 CG1 VAL A 44 -16.341 -7.801 -9.251 1.00 0.00 C ATOM 679 CG2 VAL A 44 -15.132 -5.921 -8.083 1.00 0.00 C ATOM 0 H VAL A 44 -17.109 -7.204 -5.085 1.00 0.00 H new ATOM 0 HA VAL A 44 -17.747 -5.968 -7.652 1.00 0.00 H new ATOM 0 HB VAL A 44 -15.455 -7.884 -7.312 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -15.415 -8.036 -9.776 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -16.909 -8.717 -9.089 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -16.932 -7.108 -9.850 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -14.230 -6.194 -8.631 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -15.680 -5.162 -8.641 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -14.856 -5.524 -7.106 1.00 0.00 H new ATOM 689 N PRO A 45 -19.597 -7.571 -7.378 1.00 0.00 N ATOM 690 CA PRO A 45 -20.674 -8.548 -7.406 1.00 0.00 C ATOM 691 C PRO A 45 -20.636 -9.369 -8.696 1.00 0.00 C ATOM 692 O PRO A 45 -19.984 -8.980 -9.664 1.00 0.00 O ATOM 693 CB PRO A 45 -21.949 -7.732 -7.258 1.00 0.00 C ATOM 694 CG PRO A 45 -21.573 -6.304 -7.619 1.00 0.00 C ATOM 695 CD PRO A 45 -20.056 -6.209 -7.630 1.00 0.00 C ATOM 0 HA PRO A 45 -20.594 -9.286 -6.608 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -22.732 -8.108 -7.916 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -22.334 -7.789 -6.240 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -21.979 -6.038 -8.595 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -21.994 -5.604 -6.897 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -19.690 -5.839 -8.587 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -19.697 -5.522 -6.864 1.00 0.00 H new ATOM 703 N VAL A 46 -21.342 -10.490 -8.668 1.00 0.00 N ATOM 704 CA VAL A 46 -21.397 -11.369 -9.823 1.00 0.00 C ATOM 705 C VAL A 46 -22.781 -11.271 -10.468 1.00 0.00 C ATOM 706 O VAL A 46 -22.918 -11.437 -11.679 1.00 0.00 O ATOM 707 CB VAL A 46 -21.028 -12.796 -9.413 1.00 0.00 C ATOM 708 CG1 VAL A 46 -19.537 -13.062 -9.632 1.00 0.00 C ATOM 709 CG2 VAL A 46 -21.426 -13.069 -7.961 1.00 0.00 C ATOM 0 H VAL A 46 -21.881 -10.809 -7.863 1.00 0.00 H new ATOM 0 HA VAL A 46 -20.667 -11.061 -10.572 1.00 0.00 H new ATOM 0 HB VAL A 46 -21.587 -13.482 -10.049 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.302 -14.083 -9.333 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -19.294 -12.928 -10.686 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -18.951 -12.364 -9.033 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.153 -14.090 -7.695 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -20.907 -12.371 -7.304 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -22.503 -12.940 -7.848 1.00 0.00 H new ATOM 719 N GLY A 47 -23.771 -11.003 -9.629 1.00 0.00 N ATOM 720 CA GLY A 47 -25.139 -10.880 -10.103 1.00 0.00 C ATOM 721 C GLY A 47 -26.052 -10.326 -9.007 1.00 0.00 C ATOM 722 O GLY A 47 -26.189 -9.113 -8.863 1.00 0.00 O ATOM 0 H GLY A 47 -23.653 -10.868 -8.625 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -25.169 -10.223 -10.972 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -25.504 -11.854 -10.427 1.00 0.00 H new ATOM 726 N TYR A 48 -26.651 -11.242 -8.260 1.00 0.00 N ATOM 727 CA TYR A 48 -27.546 -10.861 -7.181 1.00 0.00 C ATOM 728 C TYR A 48 -27.596 -11.944 -6.102 1.00 0.00 C ATOM 729 O TYR A 48 -28.414 -12.860 -6.173 1.00 0.00 O ATOM 730 CB TYR A 48 -28.933 -10.723 -7.812 1.00 0.00 C ATOM 731 CG TYR A 48 -29.527 -9.317 -7.707 1.00 0.00 C ATOM 732 CD1 TYR A 48 -30.253 -8.956 -6.589 1.00 0.00 C ATOM 733 CD2 TYR A 48 -29.337 -8.408 -8.729 1.00 0.00 C ATOM 734 CE1 TYR A 48 -30.811 -7.633 -6.490 1.00 0.00 C ATOM 735 CE2 TYR A 48 -29.896 -7.085 -8.630 1.00 0.00 C ATOM 736 CZ TYR A 48 -30.606 -6.763 -7.515 1.00 0.00 C ATOM 737 OH TYR A 48 -31.134 -5.514 -7.421 1.00 0.00 O ATOM 0 H TYR A 48 -26.534 -12.248 -8.381 1.00 0.00 H new ATOM 0 HA TYR A 48 -27.207 -9.938 -6.710 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -28.872 -11.003 -8.864 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -29.611 -11.429 -7.333 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -30.402 -9.666 -5.789 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -28.769 -8.690 -9.603 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -31.380 -7.338 -5.621 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -29.755 -6.365 -9.422 1.00 0.00 H new ATOM 0 HH TYR A 48 -30.907 -5.001 -8.225 1.00 0.00 H new ATOM 747 N GLY A 49 -26.710 -11.804 -5.126 1.00 0.00 N ATOM 748 CA GLY A 49 -26.644 -12.759 -4.034 1.00 0.00 C ATOM 749 C GLY A 49 -25.210 -12.900 -3.516 1.00 0.00 C ATOM 750 O GLY A 49 -24.926 -12.561 -2.367 1.00 0.00 O ATOM 0 H GLY A 49 -26.032 -11.044 -5.069 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -27.297 -12.436 -3.223 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -27.010 -13.729 -4.371 1.00 0.00 H new ATOM 754 N ILE A 50 -24.347 -13.400 -4.387 1.00 0.00 N ATOM 755 CA ILE A 50 -22.951 -13.590 -4.032 1.00 0.00 C ATOM 756 C ILE A 50 -22.144 -12.372 -4.485 1.00 0.00 C ATOM 757 O ILE A 50 -22.604 -11.592 -5.318 1.00 0.00 O ATOM 758 CB ILE A 50 -22.430 -14.915 -4.592 1.00 0.00 C ATOM 759 CG1 ILE A 50 -22.924 -16.096 -3.755 1.00 0.00 C ATOM 760 CG2 ILE A 50 -20.906 -14.898 -4.716 1.00 0.00 C ATOM 761 CD1 ILE A 50 -24.069 -16.827 -4.458 1.00 0.00 C ATOM 0 H ILE A 50 -24.587 -13.680 -5.338 1.00 0.00 H new ATOM 0 HA ILE A 50 -22.840 -13.663 -2.950 1.00 0.00 H new ATOM 0 HB ILE A 50 -22.832 -15.042 -5.597 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -22.101 -16.789 -3.576 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -23.259 -15.741 -2.781 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -20.563 -15.852 -5.116 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -20.604 -14.093 -5.387 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -20.463 -14.736 -3.733 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -24.401 -17.662 -3.841 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -24.899 -16.138 -4.613 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -23.724 -17.202 -5.421 1.00 0.00 H new ATOM 773 N LYS A 51 -20.953 -12.246 -3.918 1.00 0.00 N ATOM 774 CA LYS A 51 -20.078 -11.136 -4.252 1.00 0.00 C ATOM 775 C LYS A 51 -18.624 -11.549 -4.016 1.00 0.00 C ATOM 776 O LYS A 51 -18.356 -12.490 -3.270 1.00 0.00 O ATOM 777 CB LYS A 51 -20.492 -9.877 -3.488 1.00 0.00 C ATOM 778 CG LYS A 51 -21.744 -9.249 -4.101 1.00 0.00 C ATOM 779 CD LYS A 51 -23.000 -9.668 -3.334 1.00 0.00 C ATOM 780 CE LYS A 51 -23.713 -8.451 -2.743 1.00 0.00 C ATOM 781 NZ LYS A 51 -23.321 -8.257 -1.328 1.00 0.00 N ATOM 0 H LYS A 51 -20.574 -12.895 -3.229 1.00 0.00 H new ATOM 0 HA LYS A 51 -20.170 -10.883 -5.308 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.680 -10.127 -2.444 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.676 -9.155 -3.501 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -21.653 -8.163 -4.090 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -21.833 -9.551 -5.144 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -23.677 -10.202 -4.001 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -22.729 -10.359 -2.535 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -23.465 -7.561 -3.321 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -24.792 -8.585 -2.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -23.814 -7.427 -0.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -23.580 -9.100 -0.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -22.293 -8.107 -1.270 1.00 0.00 H new ATOM 795 N LYS A 52 -17.723 -10.825 -4.664 1.00 0.00 N ATOM 796 CA LYS A 52 -16.304 -11.105 -4.534 1.00 0.00 C ATOM 797 C LYS A 52 -15.761 -10.398 -3.290 1.00 0.00 C ATOM 798 O LYS A 52 -16.250 -9.335 -2.913 1.00 0.00 O ATOM 799 CB LYS A 52 -15.564 -10.737 -5.822 1.00 0.00 C ATOM 800 CG LYS A 52 -14.651 -11.877 -6.275 1.00 0.00 C ATOM 801 CD LYS A 52 -13.788 -11.450 -7.464 1.00 0.00 C ATOM 802 CE LYS A 52 -14.099 -12.297 -8.700 1.00 0.00 C ATOM 803 NZ LYS A 52 -13.588 -11.637 -9.923 1.00 0.00 N ATOM 0 H LYS A 52 -17.949 -10.045 -5.281 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.138 -12.173 -4.393 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.285 -10.510 -6.607 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.973 -9.835 -5.661 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -14.011 -12.185 -5.448 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.254 -12.742 -6.551 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -13.964 -10.398 -7.686 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -12.733 -11.549 -7.207 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -13.646 -13.283 -8.596 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -15.175 -12.448 -8.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.807 -12.225 -10.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -14.039 -10.706 -10.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.558 -11.516 -9.847 1.00 0.00 H new ATOM 817 N LEU A 53 -14.757 -11.018 -2.687 1.00 0.00 N ATOM 818 CA LEU A 53 -14.143 -10.462 -1.493 1.00 0.00 C ATOM 819 C LEU A 53 -12.739 -9.958 -1.834 1.00 0.00 C ATOM 820 O LEU A 53 -11.746 -10.593 -1.483 1.00 0.00 O ATOM 821 CB LEU A 53 -14.171 -11.480 -0.352 1.00 0.00 C ATOM 822 CG LEU A 53 -14.866 -11.027 0.934 1.00 0.00 C ATOM 823 CD1 LEU A 53 -13.937 -10.156 1.781 1.00 0.00 C ATOM 824 CD2 LEU A 53 -16.188 -10.323 0.624 1.00 0.00 C ATOM 0 H LEU A 53 -14.353 -11.900 -3.003 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.712 -9.604 -1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -14.665 -12.383 -0.710 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -13.144 -11.753 -0.110 1.00 0.00 H new ATOM 0 HG LEU A 53 -15.104 -11.912 1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -14.455 -9.847 2.689 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -13.047 -10.726 2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.646 -9.273 1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.661 -10.011 1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -15.997 -9.448 0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -16.849 -11.008 0.092 1.00 0.00 H new ATOM 836 N GLN A 54 -12.701 -8.823 -2.516 1.00 0.00 N ATOM 837 CA GLN A 54 -11.436 -8.228 -2.909 1.00 0.00 C ATOM 838 C GLN A 54 -11.016 -7.157 -1.900 1.00 0.00 C ATOM 839 O GLN A 54 -11.841 -6.358 -1.458 1.00 0.00 O ATOM 840 CB GLN A 54 -11.518 -7.647 -4.322 1.00 0.00 C ATOM 841 CG GLN A 54 -10.245 -6.871 -4.671 1.00 0.00 C ATOM 842 CD GLN A 54 -9.935 -6.972 -6.165 1.00 0.00 C ATOM 843 OE1 GLN A 54 -10.562 -6.340 -7.000 1.00 0.00 O ATOM 844 NE2 GLN A 54 -8.936 -7.800 -6.456 1.00 0.00 N ATOM 0 H GLN A 54 -13.527 -8.300 -2.806 1.00 0.00 H new ATOM 0 HA GLN A 54 -10.677 -9.010 -2.917 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.666 -8.452 -5.042 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.383 -6.988 -4.398 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -10.364 -5.824 -4.390 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.407 -7.262 -4.095 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.453 -8.299 -5.709 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.653 -7.937 -7.426 1.00 0.00 H new ATOM 853 N ILE A 55 -9.735 -7.175 -1.563 1.00 0.00 N ATOM 854 CA ILE A 55 -9.197 -6.216 -0.614 1.00 0.00 C ATOM 855 C ILE A 55 -7.749 -5.892 -0.987 1.00 0.00 C ATOM 856 O ILE A 55 -7.080 -6.689 -1.644 1.00 0.00 O ATOM 857 CB ILE A 55 -9.363 -6.728 0.819 1.00 0.00 C ATOM 858 CG1 ILE A 55 -8.110 -7.475 1.282 1.00 0.00 C ATOM 859 CG2 ILE A 55 -10.623 -7.585 0.952 1.00 0.00 C ATOM 860 CD1 ILE A 55 -7.988 -8.829 0.582 1.00 0.00 C ATOM 0 H ILE A 55 -9.054 -7.839 -1.931 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.755 -5.281 -0.661 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.488 -5.868 1.477 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.226 -6.873 1.073 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.148 -7.622 2.361 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -10.717 -7.936 1.980 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.497 -6.989 0.690 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.553 -8.441 0.281 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.089 -9.339 0.929 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.862 -9.438 0.812 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.925 -8.677 -0.496 1.00 0.00 H new ATOM 872 N GLN A 56 -7.306 -4.722 -0.553 1.00 0.00 N ATOM 873 CA GLN A 56 -5.950 -4.283 -0.834 1.00 0.00 C ATOM 874 C GLN A 56 -5.194 -4.027 0.472 1.00 0.00 C ATOM 875 O GLN A 56 -5.763 -3.506 1.430 1.00 0.00 O ATOM 876 CB GLN A 56 -5.949 -3.037 -1.722 1.00 0.00 C ATOM 877 CG GLN A 56 -4.526 -2.523 -1.944 1.00 0.00 C ATOM 878 CD GLN A 56 -3.866 -3.229 -3.131 1.00 0.00 C ATOM 879 OE1 GLN A 56 -3.039 -4.112 -2.980 1.00 0.00 O ATOM 880 NE2 GLN A 56 -4.278 -2.790 -4.317 1.00 0.00 N ATOM 0 H GLN A 56 -7.863 -4.064 -0.008 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.438 -5.076 -1.378 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.409 -3.270 -2.682 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.553 -2.256 -1.260 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.548 -1.448 -2.122 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -3.933 -2.685 -1.044 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.974 -2.047 -4.372 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.898 -3.197 -5.172 1.00 0.00 H new ATOM 889 N CYS A 57 -3.924 -4.403 0.467 1.00 0.00 N ATOM 890 CA CYS A 57 -3.085 -4.221 1.638 1.00 0.00 C ATOM 891 C CYS A 57 -1.784 -3.547 1.197 1.00 0.00 C ATOM 892 O CYS A 57 -1.454 -3.542 0.012 1.00 0.00 O ATOM 893 CB CYS A 57 -2.825 -5.544 2.360 1.00 0.00 C ATOM 894 SG CYS A 57 -2.690 -6.905 1.143 1.00 0.00 S ATOM 0 H CYS A 57 -3.456 -4.833 -0.330 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.597 -3.584 2.359 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.907 -5.475 2.944 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.634 -5.751 3.061 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.494 -6.409 -0.043 1.00 0.00 H new ATOM 900 N VAL A 58 -1.080 -2.994 2.174 1.00 0.00 N ATOM 901 CA VAL A 58 0.178 -2.319 1.901 1.00 0.00 C ATOM 902 C VAL A 58 1.281 -2.939 2.760 1.00 0.00 C ATOM 903 O VAL A 58 1.326 -2.724 3.970 1.00 0.00 O ATOM 904 CB VAL A 58 0.021 -0.813 2.124 1.00 0.00 C ATOM 905 CG1 VAL A 58 1.251 -0.055 1.619 1.00 0.00 C ATOM 906 CG2 VAL A 58 -1.255 -0.290 1.462 1.00 0.00 C ATOM 0 H VAL A 58 -1.357 -3.000 3.156 1.00 0.00 H new ATOM 0 HA VAL A 58 0.466 -2.452 0.858 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.064 -0.640 3.197 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.115 1.013 1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.136 -0.398 2.156 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.380 -0.239 0.552 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.342 0.783 1.636 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.213 -0.482 0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.120 -0.798 1.888 1.00 0.00 H new ATOM 916 N VAL A 59 2.145 -3.697 2.101 1.00 0.00 N ATOM 917 CA VAL A 59 3.246 -4.350 2.788 1.00 0.00 C ATOM 918 C VAL A 59 4.516 -3.514 2.617 1.00 0.00 C ATOM 919 O VAL A 59 4.529 -2.546 1.859 1.00 0.00 O ATOM 920 CB VAL A 59 3.401 -5.785 2.283 1.00 0.00 C ATOM 921 CG1 VAL A 59 2.065 -6.530 2.329 1.00 0.00 C ATOM 922 CG2 VAL A 59 3.993 -5.809 0.873 1.00 0.00 C ATOM 0 H VAL A 59 2.105 -3.874 1.097 1.00 0.00 H new ATOM 0 HA VAL A 59 3.043 -4.417 3.857 1.00 0.00 H new ATOM 0 HB VAL A 59 4.095 -6.300 2.947 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.203 -7.548 1.965 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.699 -6.559 3.355 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.339 -6.015 1.700 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.093 -6.841 0.538 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.335 -5.269 0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.974 -5.334 0.882 1.00 0.00 H new ATOM 932 N GLU A 60 5.555 -3.920 3.332 1.00 0.00 N ATOM 933 CA GLU A 60 6.826 -3.222 3.269 1.00 0.00 C ATOM 934 C GLU A 60 7.720 -3.845 2.194 1.00 0.00 C ATOM 935 O GLU A 60 8.633 -4.609 2.505 1.00 0.00 O ATOM 936 CB GLU A 60 7.524 -3.226 4.630 1.00 0.00 C ATOM 937 CG GLU A 60 7.382 -1.869 5.323 1.00 0.00 C ATOM 938 CD GLU A 60 8.430 -0.880 4.809 1.00 0.00 C ATOM 939 OE1 GLU A 60 9.631 -1.345 4.740 1.00 0.00 O ATOM 940 OE2 GLU A 60 8.095 0.272 4.497 1.00 0.00 O ATOM 0 H GLU A 60 5.541 -4.725 3.959 1.00 0.00 H new ATOM 0 HA GLU A 60 6.634 -2.183 3.000 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.097 -4.006 5.260 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.580 -3.464 4.501 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.383 -1.470 5.148 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.491 -1.993 6.400 1.00 0.00 H new ATOM 947 N ASP A 61 7.428 -3.493 0.950 1.00 0.00 N ATOM 948 CA ASP A 61 8.193 -4.008 -0.173 1.00 0.00 C ATOM 949 C ASP A 61 8.103 -5.535 -0.189 1.00 0.00 C ATOM 950 O ASP A 61 7.254 -6.103 -0.875 1.00 0.00 O ATOM 951 CB ASP A 61 9.669 -3.622 -0.056 1.00 0.00 C ATOM 952 CG ASP A 61 10.628 -4.474 -0.890 1.00 0.00 C ATOM 953 OD1 ASP A 61 10.774 -4.268 -2.104 1.00 0.00 O ATOM 954 OD2 ASP A 61 11.249 -5.396 -0.235 1.00 0.00 O ATOM 0 H ASP A 61 6.672 -2.857 0.695 1.00 0.00 H new ATOM 0 HA ASP A 61 7.780 -3.581 -1.087 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.781 -2.579 -0.353 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.965 -3.689 0.991 1.00 0.00 H new ATOM 959 N ASP A 62 8.991 -6.156 0.573 1.00 0.00 N ATOM 960 CA ASP A 62 9.022 -7.607 0.655 1.00 0.00 C ATOM 961 C ASP A 62 9.225 -8.027 2.112 1.00 0.00 C ATOM 962 O ASP A 62 9.751 -9.105 2.384 1.00 0.00 O ATOM 963 CB ASP A 62 10.178 -8.180 -0.167 1.00 0.00 C ATOM 964 CG ASP A 62 10.002 -9.637 -0.600 1.00 0.00 C ATOM 965 OD1 ASP A 62 8.874 -10.125 -0.759 1.00 0.00 O ATOM 966 OD2 ASP A 62 11.102 -10.288 -0.778 1.00 0.00 O ATOM 0 H ASP A 62 9.694 -5.681 1.139 1.00 0.00 H new ATOM 0 HA ASP A 62 8.078 -7.987 0.265 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.311 -7.565 -1.057 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.095 -8.098 0.417 1.00 0.00 H new ATOM 971 N LYS A 63 8.797 -7.153 3.012 1.00 0.00 N ATOM 972 CA LYS A 63 8.925 -7.420 4.435 1.00 0.00 C ATOM 973 C LYS A 63 7.741 -8.270 4.899 1.00 0.00 C ATOM 974 O LYS A 63 7.927 -9.297 5.548 1.00 0.00 O ATOM 975 CB LYS A 63 9.085 -6.112 5.212 1.00 0.00 C ATOM 976 CG LYS A 63 10.178 -6.237 6.276 1.00 0.00 C ATOM 977 CD LYS A 63 11.439 -5.478 5.857 1.00 0.00 C ATOM 978 CE LYS A 63 12.562 -6.447 5.483 1.00 0.00 C ATOM 979 NZ LYS A 63 13.152 -6.076 4.176 1.00 0.00 N ATOM 0 H LYS A 63 8.361 -6.260 2.783 1.00 0.00 H new ATOM 0 HA LYS A 63 9.828 -7.996 4.635 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.333 -5.304 4.524 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.140 -5.848 5.686 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.813 -5.846 7.226 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.418 -7.288 6.435 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.214 -4.832 5.009 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.767 -4.832 6.672 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.333 -6.435 6.254 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.173 -7.464 5.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.913 -6.743 3.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.417 -6.111 3.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.541 -5.113 4.232 1.00 0.00 H new ATOM 993 N VAL A 64 6.549 -7.811 4.545 1.00 0.00 N ATOM 994 CA VAL A 64 5.335 -8.517 4.917 1.00 0.00 C ATOM 995 C VAL A 64 4.749 -9.200 3.680 1.00 0.00 C ATOM 996 O VAL A 64 4.467 -8.544 2.679 1.00 0.00 O ATOM 997 CB VAL A 64 4.354 -7.554 5.589 1.00 0.00 C ATOM 998 CG1 VAL A 64 3.031 -8.252 5.905 1.00 0.00 C ATOM 999 CG2 VAL A 64 4.967 -6.941 6.850 1.00 0.00 C ATOM 0 H VAL A 64 6.399 -6.959 4.005 1.00 0.00 H new ATOM 0 HA VAL A 64 5.555 -9.297 5.646 1.00 0.00 H new ATOM 0 HB VAL A 64 4.146 -6.744 4.890 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.352 -7.546 6.382 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.583 -8.619 4.981 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.213 -9.090 6.577 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.250 -6.260 7.309 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.218 -7.734 7.555 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.871 -6.392 6.585 1.00 0.00 H new ATOM 1009 N GLY A 65 4.582 -10.511 3.790 1.00 0.00 N ATOM 1010 CA GLY A 65 4.034 -11.290 2.692 1.00 0.00 C ATOM 1011 C GLY A 65 2.571 -11.650 2.954 1.00 0.00 C ATOM 1012 O GLY A 65 2.090 -11.537 4.081 1.00 0.00 O ATOM 0 H GLY A 65 4.816 -11.052 4.622 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.113 -10.723 1.764 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.618 -12.200 2.560 1.00 0.00 H new ATOM 1016 N THR A 66 1.901 -12.077 1.894 1.00 0.00 N ATOM 1017 CA THR A 66 0.502 -12.456 1.993 1.00 0.00 C ATOM 1018 C THR A 66 0.364 -13.817 2.679 1.00 0.00 C ATOM 1019 O THR A 66 -0.696 -14.146 3.207 1.00 0.00 O ATOM 1020 CB THR A 66 -0.099 -12.420 0.587 1.00 0.00 C ATOM 1021 OG1 THR A 66 -0.146 -11.034 0.263 1.00 0.00 O ATOM 1022 CG2 THR A 66 -1.565 -12.858 0.566 1.00 0.00 C ATOM 0 H THR A 66 2.302 -12.169 0.961 1.00 0.00 H new ATOM 0 HA THR A 66 -0.053 -11.756 2.617 1.00 0.00 H new ATOM 0 HB THR A 66 0.482 -13.065 -0.072 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.079 -10.733 0.247 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.943 -12.814 -0.455 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.645 -13.879 0.939 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.152 -12.193 1.199 1.00 0.00 H new ATOM 1030 N ASP A 67 1.454 -14.571 2.648 1.00 0.00 N ATOM 1031 CA ASP A 67 1.468 -15.889 3.261 1.00 0.00 C ATOM 1032 C ASP A 67 0.723 -15.835 4.596 1.00 0.00 C ATOM 1033 O ASP A 67 -0.262 -16.545 4.790 1.00 0.00 O ATOM 1034 CB ASP A 67 2.899 -16.351 3.537 1.00 0.00 C ATOM 1035 CG ASP A 67 3.867 -15.245 3.960 1.00 0.00 C ATOM 1036 OD1 ASP A 67 4.311 -14.433 3.134 1.00 0.00 O ATOM 1037 OD2 ASP A 67 4.169 -15.234 5.215 1.00 0.00 O ATOM 0 H ASP A 67 2.332 -14.295 2.209 1.00 0.00 H new ATOM 0 HA ASP A 67 0.989 -16.586 2.573 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.875 -17.110 4.319 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.289 -16.830 2.639 1.00 0.00 H new ATOM 1042 N MET A 68 1.221 -14.985 5.482 1.00 0.00 N ATOM 1043 CA MET A 68 0.616 -14.829 6.793 1.00 0.00 C ATOM 1044 C MET A 68 -0.850 -14.408 6.672 1.00 0.00 C ATOM 1045 O MET A 68 -1.728 -15.024 7.273 1.00 0.00 O ATOM 1046 CB MET A 68 1.387 -13.775 7.589 1.00 0.00 C ATOM 1047 CG MET A 68 1.300 -14.052 9.092 1.00 0.00 C ATOM 1048 SD MET A 68 1.041 -12.525 9.980 1.00 0.00 S ATOM 1049 CE MET A 68 -0.739 -12.544 10.116 1.00 0.00 C ATOM 0 H MET A 68 2.038 -14.397 5.317 1.00 0.00 H new ATOM 0 HA MET A 68 0.658 -15.788 7.309 1.00 0.00 H new ATOM 0 HB2 MET A 68 2.431 -13.770 7.276 1.00 0.00 H new ATOM 0 HB3 MET A 68 0.985 -12.785 7.374 1.00 0.00 H new ATOM 0 HG2 MET A 68 0.483 -14.744 9.296 1.00 0.00 H new ATOM 0 HG3 MET A 68 2.217 -14.531 9.436 1.00 0.00 H new ATOM 0 HE1 MET A 68 -1.071 -11.663 10.664 1.00 0.00 H new ATOM 0 HE2 MET A 68 -1.180 -12.539 9.119 1.00 0.00 H new ATOM 0 HE3 MET A 68 -1.054 -13.442 10.648 1.00 0.00 H new ATOM 1059 N LEU A 69 -1.069 -13.360 5.892 1.00 0.00 N ATOM 1060 CA LEU A 69 -2.414 -12.849 5.684 1.00 0.00 C ATOM 1061 C LEU A 69 -3.328 -13.994 5.248 1.00 0.00 C ATOM 1062 O LEU A 69 -4.391 -14.201 5.831 1.00 0.00 O ATOM 1063 CB LEU A 69 -2.395 -11.671 4.708 1.00 0.00 C ATOM 1064 CG LEU A 69 -1.955 -10.325 5.288 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -1.745 -9.292 4.180 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -2.944 -9.836 6.348 1.00 0.00 C ATOM 0 H LEU A 69 -0.338 -12.850 5.396 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.820 -12.454 6.616 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.732 -11.922 3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.395 -11.555 4.291 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.994 -10.464 5.783 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.433 -8.345 4.620 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.975 -9.645 3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.678 -9.149 3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.608 -8.878 6.744 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.930 -9.717 5.899 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.999 -10.564 7.157 1.00 0.00 H new ATOM 1078 N GLU A 70 -2.883 -14.709 4.225 1.00 0.00 N ATOM 1079 CA GLU A 70 -3.648 -15.829 3.704 1.00 0.00 C ATOM 1080 C GLU A 70 -3.971 -16.819 4.824 1.00 0.00 C ATOM 1081 O GLU A 70 -5.134 -17.152 5.047 1.00 0.00 O ATOM 1082 CB GLU A 70 -2.900 -16.519 2.561 1.00 0.00 C ATOM 1083 CG GLU A 70 -3.673 -17.741 2.059 1.00 0.00 C ATOM 1084 CD GLU A 70 -2.717 -18.842 1.595 1.00 0.00 C ATOM 1085 OE1 GLU A 70 -1.805 -19.226 2.342 1.00 0.00 O ATOM 1086 OE2 GLU A 70 -2.948 -19.301 0.412 1.00 0.00 O ATOM 0 H GLU A 70 -2.001 -14.534 3.743 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.587 -15.447 3.302 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.752 -15.816 1.741 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.911 -16.825 2.901 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.314 -18.122 2.854 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.325 -17.450 1.236 1.00 0.00 H new ATOM 1093 N GLU A 71 -2.921 -17.262 5.500 1.00 0.00 N ATOM 1094 CA GLU A 71 -3.079 -18.207 6.593 1.00 0.00 C ATOM 1095 C GLU A 71 -3.972 -17.612 7.684 1.00 0.00 C ATOM 1096 O GLU A 71 -4.443 -18.331 8.564 1.00 0.00 O ATOM 1097 CB GLU A 71 -1.720 -18.620 7.161 1.00 0.00 C ATOM 1098 CG GLU A 71 -1.027 -19.632 6.246 1.00 0.00 C ATOM 1099 CD GLU A 71 -1.479 -21.058 6.565 1.00 0.00 C ATOM 1100 OE1 GLU A 71 -1.537 -21.441 7.742 1.00 0.00 O ATOM 1101 OE2 GLU A 71 -1.777 -21.778 5.537 1.00 0.00 O ATOM 0 H GLU A 71 -1.958 -16.984 5.312 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.561 -19.104 6.205 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.089 -17.739 7.279 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.853 -19.052 8.153 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.251 -19.400 5.205 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.054 -19.554 6.364 1.00 0.00 H new ATOM 1108 N GLN A 72 -4.178 -16.307 7.590 1.00 0.00 N ATOM 1109 CA GLN A 72 -5.006 -15.608 8.558 1.00 0.00 C ATOM 1110 C GLN A 72 -6.434 -15.466 8.030 1.00 0.00 C ATOM 1111 O GLN A 72 -7.393 -15.786 8.731 1.00 0.00 O ATOM 1112 CB GLN A 72 -4.411 -14.243 8.904 1.00 0.00 C ATOM 1113 CG GLN A 72 -5.247 -13.534 9.971 1.00 0.00 C ATOM 1114 CD GLN A 72 -4.378 -13.111 11.158 1.00 0.00 C ATOM 1115 OE1 GLN A 72 -3.266 -12.634 11.006 1.00 0.00 O ATOM 1116 NE2 GLN A 72 -4.947 -13.311 12.343 1.00 0.00 N ATOM 0 H GLN A 72 -3.786 -15.715 6.858 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.035 -16.197 9.475 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.389 -14.368 9.262 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -4.361 -13.626 8.007 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -5.728 -12.657 9.538 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -6.041 -14.196 10.315 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -5.882 -13.715 12.398 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -4.449 -13.060 13.197 1.00 0.00 H new ATOM 1125 N ILE A 73 -6.531 -14.987 6.799 1.00 0.00 N ATOM 1126 CA ILE A 73 -7.826 -14.799 6.169 1.00 0.00 C ATOM 1127 C ILE A 73 -8.382 -16.158 5.738 1.00 0.00 C ATOM 1128 O ILE A 73 -9.395 -16.614 6.266 1.00 0.00 O ATOM 1129 CB ILE A 73 -7.725 -13.786 5.027 1.00 0.00 C ATOM 1130 CG1 ILE A 73 -6.999 -12.519 5.481 1.00 0.00 C ATOM 1131 CG2 ILE A 73 -9.105 -13.479 4.442 1.00 0.00 C ATOM 1132 CD1 ILE A 73 -6.260 -11.861 4.313 1.00 0.00 C ATOM 0 H ILE A 73 -5.733 -14.723 6.221 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.536 -14.375 6.879 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.129 -14.229 4.229 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.717 -11.816 5.904 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.290 -12.765 6.272 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -9.004 -12.756 3.632 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.549 -14.397 4.056 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.746 -13.065 5.220 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.752 -10.962 4.664 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.526 -12.558 3.908 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.975 -11.594 3.535 1.00 0.00 H new ATOM 1144 N THR A 74 -7.695 -16.766 4.783 1.00 0.00 N ATOM 1145 CA THR A 74 -8.106 -18.064 4.275 1.00 0.00 C ATOM 1146 C THR A 74 -8.253 -19.064 5.424 1.00 0.00 C ATOM 1147 O THR A 74 -8.939 -20.076 5.287 1.00 0.00 O ATOM 1148 CB THR A 74 -7.093 -18.501 3.216 1.00 0.00 C ATOM 1149 OG1 THR A 74 -7.881 -19.167 2.234 1.00 0.00 O ATOM 1150 CG2 THR A 74 -6.141 -19.584 3.727 1.00 0.00 C ATOM 0 H THR A 74 -6.856 -16.384 4.347 1.00 0.00 H new ATOM 0 HA THR A 74 -9.087 -18.011 3.804 1.00 0.00 H new ATOM 0 HB THR A 74 -6.516 -17.636 2.888 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.302 -19.482 1.509 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.443 -19.858 2.936 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.586 -19.205 4.585 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.715 -20.462 4.024 1.00 0.00 H new ATOM 1158 N ALA A 75 -7.598 -18.746 6.530 1.00 0.00 N ATOM 1159 CA ALA A 75 -7.646 -19.605 7.702 1.00 0.00 C ATOM 1160 C ALA A 75 -9.087 -20.060 7.935 1.00 0.00 C ATOM 1161 O ALA A 75 -9.322 -21.159 8.436 1.00 0.00 O ATOM 1162 CB ALA A 75 -7.069 -18.858 8.906 1.00 0.00 C ATOM 0 H ALA A 75 -7.031 -17.905 6.640 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.038 -20.497 7.550 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.105 -19.502 9.785 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.035 -18.581 8.701 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.656 -17.958 9.091 1.00 0.00 H new ATOM 1168 N PHE A 76 -10.017 -19.193 7.560 1.00 0.00 N ATOM 1169 CA PHE A 76 -11.429 -19.494 7.722 1.00 0.00 C ATOM 1170 C PHE A 76 -11.980 -20.222 6.494 1.00 0.00 C ATOM 1171 O PHE A 76 -12.464 -19.588 5.557 1.00 0.00 O ATOM 1172 CB PHE A 76 -12.156 -18.156 7.875 1.00 0.00 C ATOM 1173 CG PHE A 76 -12.612 -17.855 9.305 1.00 0.00 C ATOM 1174 CD1 PHE A 76 -13.346 -18.771 9.992 1.00 0.00 C ATOM 1175 CD2 PHE A 76 -12.282 -16.671 9.888 1.00 0.00 C ATOM 1176 CE1 PHE A 76 -13.768 -18.491 11.318 1.00 0.00 C ATOM 1177 CE2 PHE A 76 -12.704 -16.392 11.214 1.00 0.00 C ATOM 1178 CZ PHE A 76 -13.438 -17.308 11.902 1.00 0.00 C ATOM 0 H PHE A 76 -9.820 -18.283 7.145 1.00 0.00 H new ATOM 0 HA PHE A 76 -11.575 -20.139 8.589 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.497 -17.356 7.539 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -13.026 -18.150 7.218 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.608 -19.711 9.529 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.699 -15.944 9.342 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -14.352 -19.218 11.863 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.442 -15.452 11.677 1.00 0.00 H new ATOM 0 HZ PHE A 76 -13.758 -17.096 12.911 1.00 0.00 H new ATOM 1188 N GLU A 77 -11.886 -21.543 6.539 1.00 0.00 N ATOM 1189 CA GLU A 77 -12.368 -22.363 5.441 1.00 0.00 C ATOM 1190 C GLU A 77 -13.896 -22.439 5.467 1.00 0.00 C ATOM 1191 O GLU A 77 -14.511 -22.958 4.535 1.00 0.00 O ATOM 1192 CB GLU A 77 -11.750 -23.762 5.490 1.00 0.00 C ATOM 1193 CG GLU A 77 -11.064 -24.105 4.165 1.00 0.00 C ATOM 1194 CD GLU A 77 -12.084 -24.576 3.127 1.00 0.00 C ATOM 1195 OE1 GLU A 77 -12.778 -23.637 2.580 1.00 0.00 O ATOM 1196 OE2 GLU A 77 -12.193 -25.784 2.868 1.00 0.00 O ATOM 0 H GLU A 77 -11.484 -22.065 7.318 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.062 -21.898 4.504 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.026 -23.815 6.303 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.525 -24.498 5.704 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.534 -23.230 3.789 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.319 -24.884 4.328 1.00 0.00 H new ATOM 1203 N ASP A 78 -14.465 -21.914 6.542 1.00 0.00 N ATOM 1204 CA ASP A 78 -15.910 -21.915 6.700 1.00 0.00 C ATOM 1205 C ASP A 78 -16.482 -20.613 6.136 1.00 0.00 C ATOM 1206 O ASP A 78 -17.662 -20.320 6.316 1.00 0.00 O ATOM 1207 CB ASP A 78 -16.301 -22.004 8.176 1.00 0.00 C ATOM 1208 CG ASP A 78 -17.318 -23.097 8.511 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -18.131 -23.494 7.663 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -17.253 -23.552 9.716 1.00 0.00 O ATOM 0 H ASP A 78 -13.952 -21.485 7.312 1.00 0.00 H new ATOM 0 HA ASP A 78 -16.307 -22.780 6.169 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -15.400 -22.174 8.765 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -16.708 -21.042 8.487 1.00 0.00 H new ATOM 1215 N TYR A 79 -15.617 -19.866 5.466 1.00 0.00 N ATOM 1216 CA TYR A 79 -16.021 -18.601 4.875 1.00 0.00 C ATOM 1217 C TYR A 79 -15.343 -18.388 3.519 1.00 0.00 C ATOM 1218 O TYR A 79 -15.981 -17.947 2.565 1.00 0.00 O ATOM 1219 CB TYR A 79 -15.550 -17.514 5.843 1.00 0.00 C ATOM 1220 CG TYR A 79 -16.178 -17.607 7.235 1.00 0.00 C ATOM 1221 CD1 TYR A 79 -15.780 -18.600 8.107 1.00 0.00 C ATOM 1222 CD2 TYR A 79 -17.143 -16.697 7.619 1.00 0.00 C ATOM 1223 CE1 TYR A 79 -16.371 -18.686 9.418 1.00 0.00 C ATOM 1224 CE2 TYR A 79 -17.734 -16.785 8.929 1.00 0.00 C ATOM 1225 CZ TYR A 79 -17.319 -17.775 9.764 1.00 0.00 C ATOM 1226 OH TYR A 79 -17.877 -17.857 11.001 1.00 0.00 O ATOM 0 H TYR A 79 -14.638 -20.112 5.319 1.00 0.00 H new ATOM 0 HA TYR A 79 -17.099 -18.579 4.714 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -14.466 -17.573 5.940 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -15.779 -16.538 5.416 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -15.026 -19.312 7.807 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -17.454 -15.920 6.937 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -16.068 -19.457 10.111 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -18.490 -16.080 9.242 1.00 0.00 H new ATOM 0 HH TYR A 79 -18.538 -17.141 11.110 1.00 0.00 H new ATOM 1236 N VAL A 80 -14.059 -18.711 3.479 1.00 0.00 N ATOM 1237 CA VAL A 80 -13.288 -18.560 2.256 1.00 0.00 C ATOM 1238 C VAL A 80 -13.492 -19.794 1.374 1.00 0.00 C ATOM 1239 O VAL A 80 -13.265 -20.920 1.814 1.00 0.00 O ATOM 1240 CB VAL A 80 -11.818 -18.303 2.593 1.00 0.00 C ATOM 1241 CG1 VAL A 80 -10.988 -18.118 1.321 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -11.672 -17.097 3.524 1.00 0.00 C ATOM 0 H VAL A 80 -13.533 -19.076 4.273 1.00 0.00 H new ATOM 0 HA VAL A 80 -13.634 -17.695 1.690 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.436 -19.179 3.117 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.947 -17.937 1.589 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.054 -19.018 0.709 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -11.371 -17.267 0.757 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.618 -16.936 3.748 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.079 -16.211 3.038 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.215 -17.285 4.450 1.00 0.00 H new ATOM 1252 N GLN A 81 -13.919 -19.540 0.146 1.00 0.00 N ATOM 1253 CA GLN A 81 -14.156 -20.615 -0.801 1.00 0.00 C ATOM 1254 C GLN A 81 -12.855 -20.994 -1.512 1.00 0.00 C ATOM 1255 O GLN A 81 -12.627 -22.164 -1.815 1.00 0.00 O ATOM 1256 CB GLN A 81 -15.239 -20.228 -1.811 1.00 0.00 C ATOM 1257 CG GLN A 81 -15.637 -21.427 -2.674 1.00 0.00 C ATOM 1258 CD GLN A 81 -15.975 -20.986 -4.100 1.00 0.00 C ATOM 1259 OE1 GLN A 81 -15.173 -21.081 -5.014 1.00 0.00 O ATOM 1260 NE2 GLN A 81 -17.206 -20.502 -4.239 1.00 0.00 N ATOM 0 H GLN A 81 -14.107 -18.605 -0.215 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.513 -21.485 -0.250 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -16.114 -19.848 -1.284 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.876 -19.421 -2.448 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.822 -22.150 -2.696 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.497 -21.929 -2.231 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -17.828 -20.450 -3.432 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -17.528 -20.183 -5.153 1.00 0.00 H new ATOM 1269 N SER A 82 -12.036 -19.982 -1.756 1.00 0.00 N ATOM 1270 CA SER A 82 -10.763 -20.195 -2.425 1.00 0.00 C ATOM 1271 C SER A 82 -10.125 -18.848 -2.774 1.00 0.00 C ATOM 1272 O SER A 82 -10.538 -18.190 -3.728 1.00 0.00 O ATOM 1273 CB SER A 82 -10.939 -21.041 -3.687 1.00 0.00 C ATOM 1274 OG SER A 82 -12.063 -20.625 -4.458 1.00 0.00 O ATOM 0 H SER A 82 -12.228 -19.013 -1.503 1.00 0.00 H new ATOM 0 HA SER A 82 -10.105 -20.737 -1.746 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.037 -20.975 -4.296 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.059 -22.088 -3.408 1.00 0.00 H new ATOM 0 HG SER A 82 -12.061 -19.648 -4.539 1.00 0.00 H new ATOM 1280 N MET A 83 -9.128 -18.480 -1.982 1.00 0.00 N ATOM 1281 CA MET A 83 -8.428 -17.225 -2.196 1.00 0.00 C ATOM 1282 C MET A 83 -7.481 -17.321 -3.394 1.00 0.00 C ATOM 1283 O MET A 83 -7.079 -18.417 -3.786 1.00 0.00 O ATOM 1284 CB MET A 83 -7.630 -16.866 -0.941 1.00 0.00 C ATOM 1285 CG MET A 83 -6.554 -15.824 -1.256 1.00 0.00 C ATOM 1286 SD MET A 83 -5.622 -15.445 0.218 1.00 0.00 S ATOM 1287 CE MET A 83 -4.027 -15.095 -0.504 1.00 0.00 C ATOM 0 H MET A 83 -8.789 -19.029 -1.192 1.00 0.00 H new ATOM 0 HA MET A 83 -9.166 -16.450 -2.403 1.00 0.00 H new ATOM 0 HB2 MET A 83 -8.303 -16.479 -0.176 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.164 -17.763 -0.532 1.00 0.00 H new ATOM 0 HG2 MET A 83 -5.887 -16.201 -2.031 1.00 0.00 H new ATOM 0 HG3 MET A 83 -7.017 -14.918 -1.647 1.00 0.00 H new ATOM 0 HE1 MET A 83 -3.471 -14.422 0.150 1.00 0.00 H new ATOM 0 HE2 MET A 83 -3.471 -16.024 -0.626 1.00 0.00 H new ATOM 0 HE3 MET A 83 -4.164 -14.624 -1.477 1.00 0.00 H new ATOM 1297 N ASP A 84 -7.151 -16.161 -3.941 1.00 0.00 N ATOM 1298 CA ASP A 84 -6.258 -16.101 -5.087 1.00 0.00 C ATOM 1299 C ASP A 84 -5.481 -14.783 -5.054 1.00 0.00 C ATOM 1300 O ASP A 84 -5.609 -14.007 -4.109 1.00 0.00 O ATOM 1301 CB ASP A 84 -7.042 -16.156 -6.399 1.00 0.00 C ATOM 1302 CG ASP A 84 -7.462 -17.558 -6.845 1.00 0.00 C ATOM 1303 OD1 ASP A 84 -8.549 -17.998 -6.308 1.00 0.00 O ATOM 1304 OD2 ASP A 84 -6.784 -18.198 -7.663 1.00 0.00 O ATOM 0 H ASP A 84 -7.485 -15.255 -3.613 1.00 0.00 H new ATOM 0 HA ASP A 84 -5.583 -16.955 -5.034 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.936 -15.541 -6.296 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -6.436 -15.708 -7.186 1.00 0.00 H new ATOM 1309 N VAL A 85 -4.694 -14.572 -6.098 1.00 0.00 N ATOM 1310 CA VAL A 85 -3.896 -13.361 -6.201 1.00 0.00 C ATOM 1311 C VAL A 85 -4.481 -12.462 -7.292 1.00 0.00 C ATOM 1312 O VAL A 85 -4.801 -12.931 -8.383 1.00 0.00 O ATOM 1313 CB VAL A 85 -2.429 -13.721 -6.446 1.00 0.00 C ATOM 1314 CG1 VAL A 85 -2.209 -14.178 -7.888 1.00 0.00 C ATOM 1315 CG2 VAL A 85 -1.512 -12.547 -6.096 1.00 0.00 C ATOM 0 H VAL A 85 -4.591 -15.218 -6.880 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.928 -12.801 -5.266 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.174 -14.553 -5.790 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.158 -14.427 -8.034 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.822 -15.057 -8.089 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.490 -13.376 -8.571 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.475 -12.828 -6.279 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.769 -11.687 -6.715 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.638 -12.288 -5.045 1.00 0.00 H new ATOM 1325 N ALA A 86 -4.602 -11.185 -6.959 1.00 0.00 N ATOM 1326 CA ALA A 86 -5.143 -10.216 -7.896 1.00 0.00 C ATOM 1327 C ALA A 86 -3.991 -9.524 -8.629 1.00 0.00 C ATOM 1328 O ALA A 86 -4.127 -9.151 -9.794 1.00 0.00 O ATOM 1329 CB ALA A 86 -6.037 -9.225 -7.148 1.00 0.00 C ATOM 0 H ALA A 86 -4.335 -10.799 -6.053 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.761 -10.711 -8.645 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.443 -8.498 -7.852 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.856 -9.763 -6.670 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.451 -8.707 -6.389 1.00 0.00 H new ATOM 1335 N ALA A 87 -2.885 -9.373 -7.916 1.00 0.00 N ATOM 1336 CA ALA A 87 -1.711 -8.733 -8.484 1.00 0.00 C ATOM 1337 C ALA A 87 -0.650 -8.564 -7.393 1.00 0.00 C ATOM 1338 O ALA A 87 -0.892 -8.887 -6.231 1.00 0.00 O ATOM 1339 CB ALA A 87 -2.112 -7.400 -9.118 1.00 0.00 C ATOM 0 H ALA A 87 -2.777 -9.683 -6.950 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.280 -9.351 -9.271 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.231 -6.920 -9.544 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.845 -7.577 -9.905 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.546 -6.751 -8.357 1.00 0.00 H new ATOM 1345 N PHE A 88 0.503 -8.059 -7.808 1.00 0.00 N ATOM 1346 CA PHE A 88 1.601 -7.843 -6.881 1.00 0.00 C ATOM 1347 C PHE A 88 2.541 -6.748 -7.390 1.00 0.00 C ATOM 1348 O PHE A 88 3.491 -7.029 -8.118 1.00 0.00 O ATOM 1349 CB PHE A 88 2.374 -9.160 -6.790 1.00 0.00 C ATOM 1350 CG PHE A 88 2.468 -9.730 -5.373 1.00 0.00 C ATOM 1351 CD1 PHE A 88 3.480 -9.344 -4.551 1.00 0.00 C ATOM 1352 CD2 PHE A 88 1.538 -10.621 -4.936 1.00 0.00 C ATOM 1353 CE1 PHE A 88 3.568 -9.873 -3.236 1.00 0.00 C ATOM 1354 CE2 PHE A 88 1.626 -11.151 -3.621 1.00 0.00 C ATOM 1355 CZ PHE A 88 2.638 -10.765 -2.799 1.00 0.00 C ATOM 0 H PHE A 88 0.700 -7.793 -8.773 1.00 0.00 H new ATOM 0 HA PHE A 88 1.214 -7.530 -5.911 1.00 0.00 H new ATOM 0 HB2 PHE A 88 1.895 -9.896 -7.436 1.00 0.00 H new ATOM 0 HB3 PHE A 88 3.382 -9.005 -7.176 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.217 -8.635 -4.898 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.733 -10.925 -5.588 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.372 -9.568 -2.583 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.889 -11.860 -3.274 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.704 -11.167 -1.799 1.00 0.00 H new ATOM 1365 N ASN A 89 2.243 -5.522 -6.986 1.00 0.00 N ATOM 1366 CA ASN A 89 3.049 -4.384 -7.392 1.00 0.00 C ATOM 1367 C ASN A 89 3.085 -3.359 -6.257 1.00 0.00 C ATOM 1368 O ASN A 89 2.380 -3.507 -5.259 1.00 0.00 O ATOM 1369 CB ASN A 89 2.456 -3.701 -8.626 1.00 0.00 C ATOM 1370 CG ASN A 89 0.978 -3.366 -8.412 1.00 0.00 C ATOM 1371 OD1 ASN A 89 0.149 -4.228 -8.170 1.00 0.00 O ATOM 1372 ND2 ASN A 89 0.697 -2.071 -8.514 1.00 0.00 N ATOM 0 H ASN A 89 1.454 -5.292 -6.382 1.00 0.00 H new ATOM 0 HA ASN A 89 4.050 -4.747 -7.626 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.011 -2.789 -8.843 1.00 0.00 H new ATOM 0 HB3 ASN A 89 2.563 -4.353 -9.493 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -0.261 -1.746 -8.387 1.00 0.00 H new ATOM 0 HD22 ASN A 89 1.440 -1.403 -8.719 1.00 0.00 H new ATOM 1379 N LYS A 90 3.913 -2.342 -6.446 1.00 0.00 N ATOM 1380 CA LYS A 90 4.050 -1.292 -5.450 1.00 0.00 C ATOM 1381 C LYS A 90 3.018 -0.197 -5.725 1.00 0.00 C ATOM 1382 O LYS A 90 2.492 -0.057 -6.826 1.00 0.00 O ATOM 1383 CB LYS A 90 5.491 -0.783 -5.404 1.00 0.00 C ATOM 1384 CG LYS A 90 6.116 -0.777 -6.800 1.00 0.00 C ATOM 1385 CD LYS A 90 7.303 0.186 -6.866 1.00 0.00 C ATOM 1386 CE LYS A 90 8.629 -0.579 -6.876 1.00 0.00 C ATOM 1387 NZ LYS A 90 8.757 -1.378 -8.115 1.00 0.00 N ATOM 0 H LYS A 90 4.496 -2.223 -7.274 1.00 0.00 H new ATOM 0 HA LYS A 90 3.843 -1.682 -4.453 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.511 0.224 -4.988 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.082 -1.414 -4.740 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.445 -1.783 -7.059 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.367 -0.487 -7.536 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.227 0.802 -7.762 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.275 0.862 -6.012 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.460 0.122 -6.801 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.684 -1.234 -6.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.763 -1.496 -8.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.322 -2.312 -7.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.275 -0.888 -8.896 1.00 0.00 H new ATOM 1401 N ILE A 91 2.738 0.590 -4.683 1.00 0.00 N ATOM 1402 CA ILE A 91 1.785 1.676 -4.777 1.00 0.00 C ATOM 1403 C ILE A 91 2.523 3.003 -4.880 1.00 0.00 C ATOM 1404 O ILE A 91 2.703 3.531 -5.974 1.00 0.00 O ATOM 1405 CB ILE A 91 0.872 1.658 -3.553 1.00 0.00 C ATOM 1406 CG1 ILE A 91 1.295 0.529 -2.619 1.00 0.00 C ATOM 1407 CG2 ILE A 91 -0.571 1.437 -3.999 1.00 0.00 C ATOM 1408 CD1 ILE A 91 0.202 0.291 -1.581 1.00 0.00 C ATOM 1409 OXT ILE A 91 2.947 3.560 -3.867 1.00 0.00 O ATOM 0 H ILE A 91 3.166 0.486 -3.763 1.00 0.00 H new ATOM 0 HA ILE A 91 1.174 1.553 -5.671 1.00 0.00 H new ATOM 0 HB ILE A 91 0.948 2.610 -3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.474 -0.382 -3.190 1.00 0.00 H new ATOM 0 HG13 ILE A 91 2.232 0.784 -2.124 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.224 1.424 -3.126 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -0.873 2.244 -4.666 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.648 0.485 -4.524 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.504 -0.516 -0.913 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.045 1.201 -1.002 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.725 0.017 -2.085 1.00 0.00 H new