USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 802 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -113:sc= 0.0465 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= 0.283 K(o=0.28,f=-2.6!) USER MOD Single : A 18 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0789) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -1.36 K(o=-1.4,f=-0.32) USER MOD Single : A 30 TYR OH : rot 130:sc= -0.274 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -4.45! C(o=-4.5!,f=-2.6!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 17:sc= -0.777 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 159:sc= 0.725 (180deg=0.502) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.279 USER MOD Single : A 50 ASN : amide:sc= -0.0397 X(o=-0.04,f=-0.3) USER MOD Single : A 57 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0149) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 152:sc= 1.28 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -161:sc= -0.035 (180deg=-0.236) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 24:sc= 0.897 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.711 K(o=-0.71,f=-0.088) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.199 -6.206 -19.301 1.00 0.00 N ATOM 2 CA MET A 1 -11.988 -5.543 -18.785 1.00 0.00 C ATOM 3 C MET A 1 -11.216 -6.478 -17.854 1.00 0.00 C ATOM 4 O MET A 1 -11.807 -7.342 -17.211 1.00 0.00 O ATOM 5 CB MET A 1 -12.343 -4.244 -18.049 1.00 0.00 C ATOM 6 CG MET A 1 -12.558 -3.077 -19.017 1.00 0.00 C ATOM 7 SD MET A 1 -12.988 -1.523 -18.194 1.00 0.00 S ATOM 8 CE MET A 1 -12.284 -0.342 -19.363 1.00 0.00 C ATOM 0 H1 MET A 1 -13.101 -6.359 -20.325 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.323 -7.122 -18.824 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.028 -5.606 -19.118 1.00 0.00 H new ATOM 0 HA MET A 1 -11.356 -5.295 -19.637 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.247 -4.397 -17.459 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.545 -3.993 -17.350 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.650 -2.929 -19.602 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.351 -3.339 -19.718 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.461 0.673 -19.006 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.211 -0.513 -19.452 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.754 -0.471 -20.338 1.00 0.00 H new ATOM 20 N GLY A 2 -9.897 -6.295 -17.785 1.00 0.00 N ATOM 21 CA GLY A 2 -9.043 -7.098 -16.932 1.00 0.00 C ATOM 22 C GLY A 2 -7.582 -6.754 -17.189 1.00 0.00 C ATOM 23 O GLY A 2 -6.986 -7.257 -18.139 1.00 0.00 O ATOM 0 H GLY A 2 -9.398 -5.585 -18.321 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -9.289 -6.919 -15.885 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -9.215 -8.157 -17.124 1.00 0.00 H new ATOM 27 N GLU A 3 -7.005 -5.888 -16.354 1.00 0.00 N ATOM 28 CA GLU A 3 -5.606 -5.500 -16.412 1.00 0.00 C ATOM 29 C GLU A 3 -5.233 -4.969 -15.030 1.00 0.00 C ATOM 30 O GLU A 3 -6.068 -4.978 -14.124 1.00 0.00 O ATOM 31 CB GLU A 3 -5.381 -4.450 -17.518 1.00 0.00 C ATOM 32 CG GLU A 3 -4.122 -4.763 -18.339 1.00 0.00 C ATOM 33 CD GLU A 3 -3.878 -3.708 -19.416 1.00 0.00 C ATOM 34 OE1 GLU A 3 -4.760 -3.575 -20.291 1.00 0.00 O ATOM 35 OE2 GLU A 3 -2.814 -3.056 -19.341 1.00 0.00 O ATOM 0 H GLU A 3 -7.517 -5.428 -15.601 1.00 0.00 H new ATOM 0 HA GLU A 3 -4.969 -6.348 -16.665 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.249 -4.421 -18.177 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -5.288 -3.461 -17.069 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -3.258 -4.814 -17.676 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -4.225 -5.743 -18.805 1.00 0.00 H new ATOM 42 N TRP A 4 -3.995 -4.500 -14.879 1.00 0.00 N ATOM 43 CA TRP A 4 -3.529 -3.860 -13.664 1.00 0.00 C ATOM 44 C TRP A 4 -3.610 -2.344 -13.837 1.00 0.00 C ATOM 45 O TRP A 4 -3.681 -1.857 -14.966 1.00 0.00 O ATOM 46 CB TRP A 4 -2.097 -4.305 -13.346 1.00 0.00 C ATOM 47 CG TRP A 4 -1.846 -5.774 -13.186 1.00 0.00 C ATOM 48 CD1 TRP A 4 -1.942 -6.717 -14.151 1.00 0.00 C ATOM 49 CD2 TRP A 4 -1.382 -6.477 -11.995 1.00 0.00 C ATOM 50 NE1 TRP A 4 -1.598 -7.949 -13.634 1.00 0.00 N ATOM 51 CE2 TRP A 4 -1.234 -7.859 -12.308 1.00 0.00 C ATOM 52 CE3 TRP A 4 -1.058 -6.076 -10.685 1.00 0.00 C ATOM 53 CZ2 TRP A 4 -0.791 -8.798 -11.364 1.00 0.00 C ATOM 54 CZ3 TRP A 4 -0.613 -7.007 -9.728 1.00 0.00 C ATOM 55 CH2 TRP A 4 -0.483 -8.366 -10.064 1.00 0.00 C ATOM 0 H TRP A 4 -3.285 -4.558 -15.609 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.160 -4.154 -12.825 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -1.447 -3.938 -14.140 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -1.788 -3.809 -12.426 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -2.243 -6.533 -15.172 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -1.611 -8.818 -14.167 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -1.153 -5.036 -10.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -0.688 -9.839 -11.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -0.370 -6.675 -8.729 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -0.147 -9.077 -9.323 1.00 0.00 H new ATOM 66 N GLU A 5 -3.599 -1.604 -12.728 1.00 0.00 N ATOM 67 CA GLU A 5 -3.610 -0.152 -12.709 1.00 0.00 C ATOM 68 C GLU A 5 -2.585 0.363 -11.715 1.00 0.00 C ATOM 69 O GLU A 5 -2.121 -0.364 -10.833 1.00 0.00 O ATOM 70 CB GLU A 5 -4.994 0.363 -12.304 1.00 0.00 C ATOM 71 CG GLU A 5 -5.949 0.480 -13.496 1.00 0.00 C ATOM 72 CD GLU A 5 -5.685 1.729 -14.340 1.00 0.00 C ATOM 73 OE1 GLU A 5 -4.615 2.350 -14.147 1.00 0.00 O ATOM 74 OE2 GLU A 5 -6.577 2.053 -15.155 1.00 0.00 O ATOM 0 H GLU A 5 -3.582 -2.016 -11.795 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.366 0.206 -13.709 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.425 -0.309 -11.562 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.890 1.338 -11.829 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.851 -0.406 -14.124 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.977 0.502 -13.133 1.00 0.00 H new ATOM 81 N ILE A 6 -2.279 1.649 -11.871 1.00 0.00 N ATOM 82 CA ILE A 6 -1.337 2.349 -11.024 1.00 0.00 C ATOM 83 C ILE A 6 -1.858 2.410 -9.587 1.00 0.00 C ATOM 84 O ILE A 6 -3.055 2.528 -9.332 1.00 0.00 O ATOM 85 CB ILE A 6 -0.991 3.749 -11.574 1.00 0.00 C ATOM 86 CG1 ILE A 6 -2.230 4.645 -11.768 1.00 0.00 C ATOM 87 CG2 ILE A 6 -0.203 3.623 -12.888 1.00 0.00 C ATOM 88 CD1 ILE A 6 -1.860 6.132 -11.817 1.00 0.00 C ATOM 0 H ILE A 6 -2.687 2.234 -12.600 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.404 1.786 -11.021 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.371 4.239 -10.823 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.738 4.367 -12.692 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.933 4.473 -10.953 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.035 4.617 -13.266 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.720 3.073 -12.707 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.805 3.090 -13.624 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.763 6.727 -11.955 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.376 6.418 -10.883 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.178 6.310 -12.648 1.00 0.00 H new ATOM 100 N ILE A 7 -0.923 2.320 -8.649 1.00 0.00 N ATOM 101 CA ILE A 7 -1.143 2.593 -7.239 1.00 0.00 C ATOM 102 C ILE A 7 -1.451 4.089 -7.077 1.00 0.00 C ATOM 103 O ILE A 7 -0.788 4.919 -7.697 1.00 0.00 O ATOM 104 CB ILE A 7 0.091 2.126 -6.441 1.00 0.00 C ATOM 105 CG1 ILE A 7 0.037 2.544 -4.962 1.00 0.00 C ATOM 106 CG2 ILE A 7 1.382 2.670 -7.052 1.00 0.00 C ATOM 107 CD1 ILE A 7 0.505 1.453 -3.997 1.00 0.00 C ATOM 0 H ILE A 7 0.037 2.047 -8.858 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.997 2.043 -6.844 1.00 0.00 H new ATOM 0 HB ILE A 7 0.080 1.037 -6.493 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.655 3.431 -4.821 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.986 2.825 -4.710 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.235 2.324 -6.468 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.477 2.315 -8.078 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.356 3.760 -7.046 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.439 1.820 -2.973 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.128 0.573 -4.108 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.538 1.188 -4.221 1.00 0.00 H new ATOM 119 N ASP A 8 -2.458 4.442 -6.268 1.00 0.00 N ATOM 120 CA ASP A 8 -2.806 5.834 -6.011 1.00 0.00 C ATOM 121 C ASP A 8 -2.065 6.336 -4.767 1.00 0.00 C ATOM 122 O ASP A 8 -1.584 5.553 -3.943 1.00 0.00 O ATOM 123 CB ASP A 8 -4.330 5.985 -5.872 1.00 0.00 C ATOM 124 CG ASP A 8 -4.857 7.399 -6.114 1.00 0.00 C ATOM 125 OD1 ASP A 8 -4.029 8.321 -6.287 1.00 0.00 O ATOM 126 OD2 ASP A 8 -6.100 7.533 -6.125 1.00 0.00 O ATOM 0 H ASP A 8 -3.048 3.770 -5.778 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.494 6.449 -6.855 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.814 5.306 -6.574 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.623 5.669 -4.871 1.00 0.00 H new ATOM 131 N ILE A 9 -1.979 7.656 -4.633 1.00 0.00 N ATOM 132 CA ILE A 9 -1.284 8.345 -3.559 1.00 0.00 C ATOM 133 C ILE A 9 -2.267 8.620 -2.416 1.00 0.00 C ATOM 134 O ILE A 9 -3.475 8.440 -2.558 1.00 0.00 O ATOM 135 CB ILE A 9 -0.632 9.620 -4.133 1.00 0.00 C ATOM 136 CG1 ILE A 9 0.251 9.303 -5.359 1.00 0.00 C ATOM 137 CG2 ILE A 9 0.196 10.410 -3.108 1.00 0.00 C ATOM 138 CD1 ILE A 9 1.386 8.318 -5.054 1.00 0.00 C ATOM 0 H ILE A 9 -2.410 8.298 -5.298 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.484 7.735 -3.140 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.470 10.250 -4.431 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.374 8.891 -6.151 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.678 10.231 -5.740 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.622 11.292 -3.586 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.445 10.719 -2.283 1.00 0.00 H new ATOM 0 HG23 ILE A 9 1.000 9.780 -2.727 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.966 8.140 -5.959 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.034 8.737 -4.284 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.965 7.376 -4.702 1.00 0.00 H new ATOM 150 N GLY A 10 -1.742 9.045 -1.265 1.00 0.00 N ATOM 151 CA GLY A 10 -2.546 9.468 -0.131 1.00 0.00 C ATOM 152 C GLY A 10 -3.240 8.262 0.506 1.00 0.00 C ATOM 153 O GLY A 10 -2.538 7.334 0.919 1.00 0.00 O ATOM 0 H GLY A 10 -0.737 9.103 -1.099 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.915 9.964 0.606 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.290 10.195 -0.455 1.00 0.00 H new ATOM 157 N PRO A 11 -4.583 8.239 0.599 1.00 0.00 N ATOM 158 CA PRO A 11 -5.329 7.188 1.281 1.00 0.00 C ATOM 159 C PRO A 11 -5.387 5.916 0.423 1.00 0.00 C ATOM 160 O PRO A 11 -6.459 5.439 0.060 1.00 0.00 O ATOM 161 CB PRO A 11 -6.711 7.797 1.544 1.00 0.00 C ATOM 162 CG PRO A 11 -6.903 8.718 0.339 1.00 0.00 C ATOM 163 CD PRO A 11 -5.494 9.264 0.107 1.00 0.00 C ATOM 0 HA PRO A 11 -4.862 6.872 2.214 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -7.487 7.033 1.599 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.739 8.348 2.484 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.276 8.176 -0.530 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.617 9.515 0.548 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.322 9.465 -0.950 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.347 10.205 0.638 1.00 0.00 H new ATOM 171 N PHE A 12 -4.216 5.365 0.106 1.00 0.00 N ATOM 172 CA PHE A 12 -4.022 4.178 -0.699 1.00 0.00 C ATOM 173 C PHE A 12 -2.607 3.687 -0.388 1.00 0.00 C ATOM 174 O PHE A 12 -2.444 2.836 0.483 1.00 0.00 O ATOM 175 CB PHE A 12 -4.295 4.518 -2.173 1.00 0.00 C ATOM 176 CG PHE A 12 -4.379 3.369 -3.166 1.00 0.00 C ATOM 177 CD1 PHE A 12 -3.317 2.454 -3.325 1.00 0.00 C ATOM 178 CD2 PHE A 12 -5.441 3.351 -4.093 1.00 0.00 C ATOM 179 CE1 PHE A 12 -3.286 1.595 -4.435 1.00 0.00 C ATOM 180 CE2 PHE A 12 -5.357 2.564 -5.252 1.00 0.00 C ATOM 181 CZ PHE A 12 -4.258 1.713 -5.439 1.00 0.00 C ATOM 0 H PHE A 12 -3.333 5.764 0.426 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.713 3.366 -0.474 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.234 5.070 -2.220 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.510 5.195 -2.511 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.526 2.414 -2.591 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -6.324 3.946 -3.910 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.514 0.844 -4.516 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.137 2.614 -5.998 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.160 1.149 -6.355 1.00 0.00 H new ATOM 191 N THR A 13 -1.571 4.252 -1.025 1.00 0.00 N ATOM 192 CA THR A 13 -0.200 3.813 -0.786 1.00 0.00 C ATOM 193 C THR A 13 0.143 3.985 0.693 1.00 0.00 C ATOM 194 O THR A 13 0.622 3.058 1.346 1.00 0.00 O ATOM 195 CB THR A 13 0.782 4.534 -1.733 1.00 0.00 C ATOM 196 OG1 THR A 13 2.050 3.911 -1.714 1.00 0.00 O ATOM 197 CG2 THR A 13 0.983 6.021 -1.419 1.00 0.00 C ATOM 0 H THR A 13 -1.661 5.008 -1.704 1.00 0.00 H new ATOM 0 HA THR A 13 -0.105 2.752 -1.016 1.00 0.00 H new ATOM 0 HB THR A 13 0.318 4.461 -2.717 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.656 4.383 -2.323 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.687 6.451 -2.131 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.028 6.541 -1.494 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.377 6.129 -0.408 1.00 0.00 H new ATOM 205 N GLN A 14 -0.169 5.163 1.237 1.00 0.00 N ATOM 206 CA GLN A 14 0.113 5.455 2.631 1.00 0.00 C ATOM 207 C GLN A 14 -0.752 4.571 3.521 1.00 0.00 C ATOM 208 O GLN A 14 -0.261 4.039 4.507 1.00 0.00 O ATOM 209 CB GLN A 14 -0.081 6.946 2.929 1.00 0.00 C ATOM 210 CG GLN A 14 1.168 7.540 3.590 1.00 0.00 C ATOM 211 CD GLN A 14 0.989 9.026 3.879 1.00 0.00 C ATOM 212 OE1 GLN A 14 0.515 9.404 4.944 1.00 0.00 O ATOM 213 NE2 GLN A 14 1.362 9.887 2.936 1.00 0.00 N ATOM 0 H GLN A 14 -0.617 5.925 0.728 1.00 0.00 H new ATOM 0 HA GLN A 14 1.158 5.230 2.845 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.297 7.481 2.004 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.942 7.081 3.583 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.377 7.009 4.519 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.030 7.395 2.939 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.754 9.544 2.059 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.256 10.890 3.090 1.00 0.00 H new ATOM 222 N ASN A 15 -2.026 4.401 3.161 1.00 0.00 N ATOM 223 CA ASN A 15 -2.953 3.557 3.912 1.00 0.00 C ATOM 224 C ASN A 15 -2.384 2.149 4.104 1.00 0.00 C ATOM 225 O ASN A 15 -2.224 1.685 5.230 1.00 0.00 O ATOM 226 CB ASN A 15 -4.326 3.506 3.227 1.00 0.00 C ATOM 227 CG ASN A 15 -5.415 3.066 4.206 1.00 0.00 C ATOM 228 OD1 ASN A 15 -5.787 1.896 4.271 1.00 0.00 O ATOM 229 ND2 ASN A 15 -5.944 4.015 4.974 1.00 0.00 N ATOM 0 H ASN A 15 -2.442 4.844 2.342 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.085 4.001 4.899 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.571 4.489 2.824 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.290 2.815 2.384 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.680 3.781 5.640 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.614 4.977 4.896 1.00 0.00 H new ATOM 236 N LEU A 16 -2.053 1.481 3.000 1.00 0.00 N ATOM 237 CA LEU A 16 -1.470 0.150 3.003 1.00 0.00 C ATOM 238 C LEU A 16 -0.105 0.142 3.682 1.00 0.00 C ATOM 239 O LEU A 16 0.183 -0.790 4.424 1.00 0.00 O ATOM 240 CB LEU A 16 -1.371 -0.384 1.572 1.00 0.00 C ATOM 241 CG LEU A 16 -2.729 -0.482 0.857 1.00 0.00 C ATOM 242 CD1 LEU A 16 -2.497 -1.143 -0.496 1.00 0.00 C ATOM 243 CD2 LEU A 16 -3.775 -1.265 1.655 1.00 0.00 C ATOM 0 H LEU A 16 -2.187 1.861 2.063 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.123 -0.507 3.578 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.712 0.265 0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.908 -1.371 1.592 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.131 0.525 0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.445 -1.226 -1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.804 -0.539 -1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.076 -2.137 -0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.710 -1.297 1.096 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.418 -2.281 1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.943 -0.775 2.614 1.00 0.00 H new ATOM 255 N ALA A 17 0.747 1.141 3.452 1.00 0.00 N ATOM 256 CA ALA A 17 2.044 1.195 4.114 1.00 0.00 C ATOM 257 C ALA A 17 1.875 1.264 5.635 1.00 0.00 C ATOM 258 O ALA A 17 2.514 0.513 6.370 1.00 0.00 O ATOM 259 CB ALA A 17 2.812 2.406 3.588 1.00 0.00 C ATOM 0 H ALA A 17 0.562 1.917 2.817 1.00 0.00 H new ATOM 0 HA ALA A 17 2.607 0.288 3.894 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.786 2.459 4.075 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.950 2.310 2.511 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.249 3.315 3.802 1.00 0.00 H new ATOM 265 N LYS A 18 0.994 2.146 6.114 1.00 0.00 N ATOM 266 CA LYS A 18 0.660 2.216 7.525 1.00 0.00 C ATOM 267 C LYS A 18 0.146 0.859 7.978 1.00 0.00 C ATOM 268 O LYS A 18 0.672 0.316 8.941 1.00 0.00 O ATOM 269 CB LYS A 18 -0.379 3.314 7.815 1.00 0.00 C ATOM 270 CG LYS A 18 0.191 4.456 8.663 1.00 0.00 C ATOM 271 CD LYS A 18 0.613 3.952 10.053 1.00 0.00 C ATOM 272 CE LYS A 18 0.760 5.101 11.056 1.00 0.00 C ATOM 273 NZ LYS A 18 -0.550 5.640 11.465 1.00 0.00 N ATOM 0 H LYS A 18 0.500 2.824 5.534 1.00 0.00 H new ATOM 0 HA LYS A 18 1.559 2.477 8.083 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.749 3.717 6.872 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.232 2.874 8.331 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.049 4.897 8.156 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.556 5.243 8.769 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.126 3.241 10.421 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.559 3.416 9.973 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.299 4.749 11.936 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.358 5.897 10.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.429 6.254 12.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.958 6.191 10.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.189 4.855 11.705 1.00 0.00 H new ATOM 287 N PHE A 19 -0.850 0.311 7.276 1.00 0.00 N ATOM 288 CA PHE A 19 -1.398 -1.009 7.556 1.00 0.00 C ATOM 289 C PHE A 19 -0.258 -2.009 7.755 1.00 0.00 C ATOM 290 O PHE A 19 -0.227 -2.709 8.758 1.00 0.00 O ATOM 291 CB PHE A 19 -2.343 -1.429 6.424 1.00 0.00 C ATOM 292 CG PHE A 19 -3.248 -2.604 6.732 1.00 0.00 C ATOM 293 CD1 PHE A 19 -2.786 -3.920 6.544 1.00 0.00 C ATOM 294 CD2 PHE A 19 -4.594 -2.378 7.077 1.00 0.00 C ATOM 295 CE1 PHE A 19 -3.682 -4.999 6.627 1.00 0.00 C ATOM 296 CE2 PHE A 19 -5.485 -3.459 7.178 1.00 0.00 C ATOM 297 CZ PHE A 19 -5.038 -4.763 6.909 1.00 0.00 C ATOM 0 H PHE A 19 -1.300 0.780 6.490 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.980 -0.984 8.477 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.965 -0.574 6.157 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.744 -1.674 5.547 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.742 -4.101 6.336 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.942 -1.373 7.264 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -3.329 -6.008 6.474 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.513 -3.288 7.462 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.738 -5.586 6.919 1.00 0.00 H new ATOM 307 N ALA A 20 0.712 -2.034 6.837 1.00 0.00 N ATOM 308 CA ALA A 20 1.882 -2.892 6.943 1.00 0.00 C ATOM 309 C ALA A 20 2.492 -2.830 8.336 1.00 0.00 C ATOM 310 O ALA A 20 2.615 -3.852 8.998 1.00 0.00 O ATOM 311 CB ALA A 20 2.941 -2.540 5.893 1.00 0.00 C ATOM 0 H ALA A 20 0.702 -1.455 5.998 1.00 0.00 H new ATOM 0 HA ALA A 20 1.541 -3.911 6.757 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.799 -3.203 6.005 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.518 -2.659 4.895 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.260 -1.507 6.030 1.00 0.00 H new ATOM 317 N VAL A 21 2.892 -1.639 8.777 1.00 0.00 N ATOM 318 CA VAL A 21 3.620 -1.501 10.023 1.00 0.00 C ATOM 319 C VAL A 21 2.656 -1.583 11.206 1.00 0.00 C ATOM 320 O VAL A 21 2.798 -2.458 12.063 1.00 0.00 O ATOM 321 CB VAL A 21 4.431 -0.197 10.001 1.00 0.00 C ATOM 322 CG1 VAL A 21 5.341 -0.161 11.238 1.00 0.00 C ATOM 323 CG2 VAL A 21 5.286 -0.124 8.729 1.00 0.00 C ATOM 0 H VAL A 21 2.722 -0.761 8.287 1.00 0.00 H new ATOM 0 HA VAL A 21 4.328 -2.321 10.140 1.00 0.00 H new ATOM 0 HB VAL A 21 3.751 0.655 10.011 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.923 0.761 11.235 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.731 -0.202 12.140 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.016 -1.017 11.218 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.856 0.805 8.726 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.972 -0.970 8.703 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.638 -0.155 7.853 1.00 0.00 H new ATOM 333 N ASP A 22 1.690 -0.660 11.242 1.00 0.00 N ATOM 334 CA ASP A 22 0.676 -0.537 12.279 1.00 0.00 C ATOM 335 C ASP A 22 0.002 -1.877 12.501 1.00 0.00 C ATOM 336 O ASP A 22 0.057 -2.415 13.601 1.00 0.00 O ATOM 337 CB ASP A 22 -0.380 0.508 11.896 1.00 0.00 C ATOM 338 CG ASP A 22 -1.538 0.515 12.892 1.00 0.00 C ATOM 339 OD1 ASP A 22 -1.289 0.918 14.048 1.00 0.00 O ATOM 340 OD2 ASP A 22 -2.645 0.108 12.479 1.00 0.00 O ATOM 0 H ASP A 22 1.594 0.049 10.515 1.00 0.00 H new ATOM 0 HA ASP A 22 1.167 -0.214 13.197 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.079 1.496 11.861 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.758 0.297 10.896 1.00 0.00 H new ATOM 345 N GLU A 23 -0.653 -2.399 11.465 1.00 0.00 N ATOM 346 CA GLU A 23 -1.433 -3.619 11.607 1.00 0.00 C ATOM 347 C GLU A 23 -0.537 -4.784 12.022 1.00 0.00 C ATOM 348 O GLU A 23 -0.841 -5.468 13.001 1.00 0.00 O ATOM 349 CB GLU A 23 -2.222 -3.895 10.318 1.00 0.00 C ATOM 350 CG GLU A 23 -3.575 -4.559 10.558 1.00 0.00 C ATOM 351 CD GLU A 23 -3.528 -6.082 10.456 1.00 0.00 C ATOM 352 OE1 GLU A 23 -2.610 -6.668 11.067 1.00 0.00 O ATOM 353 OE2 GLU A 23 -4.405 -6.636 9.758 1.00 0.00 O ATOM 0 H GLU A 23 -0.657 -1.997 10.527 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.165 -3.494 12.405 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.377 -2.955 9.789 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.625 -4.533 9.666 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.939 -4.279 11.547 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.294 -4.175 9.834 1.00 0.00 H new ATOM 360 N GLU A 24 0.580 -4.994 11.310 1.00 0.00 N ATOM 361 CA GLU A 24 1.481 -6.087 11.650 1.00 0.00 C ATOM 362 C GLU A 24 1.913 -5.989 13.118 1.00 0.00 C ATOM 363 O GLU A 24 1.936 -7.007 13.803 1.00 0.00 O ATOM 364 CB GLU A 24 2.677 -6.183 10.682 1.00 0.00 C ATOM 365 CG GLU A 24 3.505 -7.452 10.911 1.00 0.00 C ATOM 366 CD GLU A 24 2.685 -8.712 10.654 1.00 0.00 C ATOM 367 OE1 GLU A 24 2.412 -8.978 9.464 1.00 0.00 O ATOM 368 OE2 GLU A 24 2.363 -9.393 11.653 1.00 0.00 O ATOM 0 H GLU A 24 0.871 -4.430 10.512 1.00 0.00 H new ATOM 0 HA GLU A 24 0.935 -7.023 11.530 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.313 -6.169 9.655 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.314 -5.308 10.806 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.375 -7.443 10.254 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.879 -7.463 11.935 1.00 0.00 H new ATOM 375 N ASN A 25 2.223 -4.788 13.623 1.00 0.00 N ATOM 376 CA ASN A 25 2.515 -4.598 15.041 1.00 0.00 C ATOM 377 C ASN A 25 1.302 -4.933 15.909 1.00 0.00 C ATOM 378 O ASN A 25 1.420 -5.694 16.864 1.00 0.00 O ATOM 379 CB ASN A 25 2.972 -3.159 15.321 1.00 0.00 C ATOM 380 CG ASN A 25 4.480 -3.076 15.508 1.00 0.00 C ATOM 381 OD1 ASN A 25 4.970 -2.939 16.624 1.00 0.00 O ATOM 382 ND2 ASN A 25 5.232 -3.169 14.418 1.00 0.00 N ATOM 0 H ASN A 25 2.277 -3.935 13.066 1.00 0.00 H new ATOM 0 HA ASN A 25 3.324 -5.282 15.298 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.671 -2.514 14.495 1.00 0.00 H new ATOM 0 HB3 ASN A 25 2.473 -2.786 16.215 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.248 -3.127 14.494 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.794 -3.282 13.504 1.00 0.00 H new ATOM 389 N LYS A 26 0.152 -4.325 15.604 1.00 0.00 N ATOM 390 CA LYS A 26 -1.058 -4.404 16.406 1.00 0.00 C ATOM 391 C LYS A 26 -1.457 -5.862 16.611 1.00 0.00 C ATOM 392 O LYS A 26 -1.711 -6.285 17.737 1.00 0.00 O ATOM 393 CB LYS A 26 -2.150 -3.568 15.715 1.00 0.00 C ATOM 394 CG LYS A 26 -3.492 -3.479 16.457 1.00 0.00 C ATOM 395 CD LYS A 26 -4.388 -4.699 16.206 1.00 0.00 C ATOM 396 CE LYS A 26 -5.822 -4.425 16.669 1.00 0.00 C ATOM 397 NZ LYS A 26 -6.682 -5.607 16.477 1.00 0.00 N ATOM 0 H LYS A 26 0.041 -3.750 14.769 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.898 -3.992 17.402 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.769 -2.557 15.569 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.330 -3.987 14.725 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.306 -3.384 17.527 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.017 -2.577 16.143 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.385 -4.946 15.144 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.989 -5.564 16.736 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.819 -4.142 17.722 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.231 -3.581 16.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.647 -5.391 16.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.703 -5.861 15.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.304 -6.405 17.027 1.00 0.00 H new ATOM 411 N ILE A 27 -1.533 -6.626 15.520 1.00 0.00 N ATOM 412 CA ILE A 27 -1.849 -8.044 15.599 1.00 0.00 C ATOM 413 C ILE A 27 -0.634 -8.821 16.118 1.00 0.00 C ATOM 414 O ILE A 27 -0.790 -9.749 16.907 1.00 0.00 O ATOM 415 CB ILE A 27 -2.348 -8.555 14.235 1.00 0.00 C ATOM 416 CG1 ILE A 27 -3.626 -7.840 13.753 1.00 0.00 C ATOM 417 CG2 ILE A 27 -2.586 -10.069 14.283 1.00 0.00 C ATOM 418 CD1 ILE A 27 -4.870 -8.068 14.622 1.00 0.00 C ATOM 0 H ILE A 27 -1.379 -6.281 14.572 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.659 -8.204 16.310 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.562 -8.327 13.515 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.428 -6.769 13.705 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.846 -8.170 12.738 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.938 -10.413 13.311 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.654 -10.576 14.531 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.335 -10.296 15.041 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.714 -7.523 14.199 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.103 -9.132 14.652 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.678 -7.710 15.634 1.00 0.00 H new ATOM 430 N GLY A 28 0.571 -8.471 15.660 1.00 0.00 N ATOM 431 CA GLY A 28 1.798 -9.133 16.072 1.00 0.00 C ATOM 432 C GLY A 28 1.850 -10.568 15.558 1.00 0.00 C ATOM 433 O GLY A 28 2.304 -11.459 16.270 1.00 0.00 O ATOM 0 H GLY A 28 0.717 -7.716 14.990 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.658 -8.578 15.696 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.868 -9.131 17.160 1.00 0.00 H new ATOM 437 N GLN A 29 1.384 -10.803 14.323 1.00 0.00 N ATOM 438 CA GLN A 29 1.309 -12.163 13.793 1.00 0.00 C ATOM 439 C GLN A 29 2.699 -12.647 13.382 1.00 0.00 C ATOM 440 O GLN A 29 3.139 -13.726 13.767 1.00 0.00 O ATOM 441 CB GLN A 29 0.329 -12.229 12.607 1.00 0.00 C ATOM 442 CG GLN A 29 -0.243 -13.646 12.426 1.00 0.00 C ATOM 443 CD GLN A 29 -1.069 -14.105 13.627 1.00 0.00 C ATOM 444 OE1 GLN A 29 -0.889 -15.205 14.135 1.00 0.00 O ATOM 445 NE2 GLN A 29 -1.969 -13.252 14.103 1.00 0.00 N ATOM 0 H GLN A 29 1.059 -10.078 13.684 1.00 0.00 H new ATOM 0 HA GLN A 29 0.934 -12.823 14.575 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.487 -11.524 12.768 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.840 -11.922 11.694 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.865 -13.671 11.531 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.576 -14.346 12.264 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.096 -12.343 13.658 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.534 -13.506 14.914 1.00 0.00 H new ATOM 454 N TYR A 30 3.360 -11.833 12.561 1.00 0.00 N ATOM 455 CA TYR A 30 4.710 -12.037 12.063 1.00 0.00 C ATOM 456 C TYR A 30 5.615 -11.078 12.833 1.00 0.00 C ATOM 457 O TYR A 30 6.377 -11.500 13.697 1.00 0.00 O ATOM 458 CB TYR A 30 4.706 -11.812 10.539 1.00 0.00 C ATOM 459 CG TYR A 30 6.004 -11.325 9.922 1.00 0.00 C ATOM 460 CD1 TYR A 30 7.185 -12.064 10.112 1.00 0.00 C ATOM 461 CD2 TYR A 30 6.030 -10.142 9.151 1.00 0.00 C ATOM 462 CE1 TYR A 30 8.381 -11.646 9.509 1.00 0.00 C ATOM 463 CE2 TYR A 30 7.222 -9.747 8.519 1.00 0.00 C ATOM 464 CZ TYR A 30 8.396 -10.501 8.697 1.00 0.00 C ATOM 465 OH TYR A 30 9.528 -10.185 8.008 1.00 0.00 O ATOM 0 H TYR A 30 2.943 -10.971 12.210 1.00 0.00 H new ATOM 0 HA TYR A 30 5.085 -13.048 12.220 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.430 -12.750 10.057 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.924 -11.090 10.303 1.00 0.00 H new ATOM 0 HD1 TYR A 30 7.172 -12.955 10.723 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.137 -9.543 9.047 1.00 0.00 H new ATOM 0 HE1 TYR A 30 9.291 -12.206 9.670 1.00 0.00 H new ATOM 0 HE2 TYR A 30 7.236 -8.864 7.897 1.00 0.00 H new ATOM 0 HH TYR A 30 9.303 -10.018 7.069 1.00 0.00 H new ATOM 475 N GLY A 31 5.499 -9.783 12.528 1.00 0.00 N ATOM 476 CA GLY A 31 6.269 -8.731 13.171 1.00 0.00 C ATOM 477 C GLY A 31 7.054 -7.996 12.096 1.00 0.00 C ATOM 478 O GLY A 31 7.947 -8.573 11.479 1.00 0.00 O ATOM 0 H GLY A 31 4.856 -9.437 11.816 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.608 -8.043 13.697 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.945 -9.154 13.914 1.00 0.00 H new ATOM 482 N ARG A 32 6.687 -6.742 11.822 1.00 0.00 N ATOM 483 CA ARG A 32 7.356 -5.982 10.783 1.00 0.00 C ATOM 484 C ARG A 32 8.784 -5.659 11.216 1.00 0.00 C ATOM 485 O ARG A 32 9.112 -5.644 12.400 1.00 0.00 O ATOM 486 CB ARG A 32 6.550 -4.726 10.420 1.00 0.00 C ATOM 487 CG ARG A 32 6.756 -4.260 8.967 1.00 0.00 C ATOM 488 CD ARG A 32 7.736 -3.089 8.807 1.00 0.00 C ATOM 489 NE ARG A 32 7.756 -2.591 7.421 1.00 0.00 N ATOM 490 CZ ARG A 32 8.134 -1.354 7.070 1.00 0.00 C ATOM 491 NH1 ARG A 32 8.621 -0.508 7.977 1.00 0.00 N ATOM 492 NH2 ARG A 32 8.014 -0.958 5.801 1.00 0.00 N ATOM 0 H ARG A 32 5.939 -6.243 12.303 1.00 0.00 H new ATOM 0 HA ARG A 32 7.416 -6.583 9.876 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.491 -4.925 10.582 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.830 -3.917 11.095 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.116 -5.102 8.376 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.791 -3.969 8.552 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.453 -2.281 9.482 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.738 -3.409 9.095 1.00 0.00 H new ATOM 0 HE ARG A 32 7.463 -3.229 6.681 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.709 -0.799 8.950 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.905 0.431 7.698 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.635 -1.596 5.101 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.301 -0.017 5.531 1.00 0.00 H new ATOM 506 N LEU A 33 9.621 -5.402 10.218 1.00 0.00 N ATOM 507 CA LEU A 33 11.000 -4.994 10.366 1.00 0.00 C ATOM 508 C LEU A 33 11.043 -3.526 10.819 1.00 0.00 C ATOM 509 O LEU A 33 10.044 -2.978 11.286 1.00 0.00 O ATOM 510 CB LEU A 33 11.698 -5.195 9.012 1.00 0.00 C ATOM 511 CG LEU A 33 11.536 -6.584 8.350 1.00 0.00 C ATOM 512 CD1 LEU A 33 12.067 -7.704 9.250 1.00 0.00 C ATOM 513 CD2 LEU A 33 10.138 -6.960 7.833 1.00 0.00 C ATOM 0 H LEU A 33 9.337 -5.478 9.241 1.00 0.00 H new ATOM 0 HA LEU A 33 11.516 -5.588 11.120 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.322 -4.441 8.320 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.763 -5.003 9.145 1.00 0.00 H new ATOM 0 HG LEU A 33 12.143 -6.481 7.450 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.936 -8.664 8.751 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.126 -7.540 9.449 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.517 -7.706 10.191 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.168 -7.957 7.394 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.429 -6.949 8.661 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.824 -6.240 7.077 1.00 0.00 H new ATOM 525 N THR A 34 12.180 -2.850 10.643 1.00 0.00 N ATOM 526 CA THR A 34 12.309 -1.456 11.057 1.00 0.00 C ATOM 527 C THR A 34 11.676 -0.559 9.987 1.00 0.00 C ATOM 528 O THR A 34 11.293 -1.043 8.926 1.00 0.00 O ATOM 529 CB THR A 34 13.798 -1.161 11.295 1.00 0.00 C ATOM 530 OG1 THR A 34 14.362 -2.224 12.036 1.00 0.00 O ATOM 531 CG2 THR A 34 14.057 0.144 12.057 1.00 0.00 C ATOM 0 H THR A 34 13.019 -3.245 10.219 1.00 0.00 H new ATOM 0 HA THR A 34 11.781 -1.255 11.989 1.00 0.00 H new ATOM 0 HB THR A 34 14.254 -1.055 10.311 1.00 0.00 H new ATOM 0 HG1 THR A 34 15.313 -2.046 12.192 1.00 0.00 H new ATOM 0 HG21 THR A 34 15.130 0.283 12.186 1.00 0.00 H new ATOM 0 HG22 THR A 34 13.648 0.982 11.493 1.00 0.00 H new ATOM 0 HG23 THR A 34 13.577 0.096 13.034 1.00 0.00 H new ATOM 539 N PHE A 35 11.533 0.747 10.241 1.00 0.00 N ATOM 540 CA PHE A 35 11.170 1.719 9.220 1.00 0.00 C ATOM 541 C PHE A 35 12.245 1.811 8.130 1.00 0.00 C ATOM 542 O PHE A 35 13.059 2.731 8.131 1.00 0.00 O ATOM 543 CB PHE A 35 10.848 3.081 9.865 1.00 0.00 C ATOM 544 CG PHE A 35 9.450 3.544 9.537 1.00 0.00 C ATOM 545 CD1 PHE A 35 8.363 2.847 10.087 1.00 0.00 C ATOM 546 CD2 PHE A 35 9.227 4.568 8.596 1.00 0.00 C ATOM 547 CE1 PHE A 35 7.057 3.192 9.725 1.00 0.00 C ATOM 548 CE2 PHE A 35 7.912 4.913 8.234 1.00 0.00 C ATOM 549 CZ PHE A 35 6.824 4.222 8.797 1.00 0.00 C ATOM 0 H PHE A 35 11.668 1.154 11.166 1.00 0.00 H new ATOM 0 HA PHE A 35 10.263 1.381 8.719 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.961 3.006 10.947 1.00 0.00 H new ATOM 0 HB3 PHE A 35 11.567 3.825 9.520 1.00 0.00 H new ATOM 0 HD1 PHE A 35 8.535 2.045 10.789 1.00 0.00 H new ATOM 0 HD2 PHE A 35 10.064 5.087 8.153 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.222 2.664 10.161 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.738 5.708 7.524 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.814 4.482 8.518 1.00 0.00 H new ATOM 559 N ASN A 36 12.253 0.847 7.204 1.00 0.00 N ATOM 560 CA ASN A 36 13.127 0.861 6.037 1.00 0.00 C ATOM 561 C ASN A 36 12.499 1.759 4.963 1.00 0.00 C ATOM 562 O ASN A 36 12.593 2.976 5.089 1.00 0.00 O ATOM 563 CB ASN A 36 13.512 -0.570 5.596 1.00 0.00 C ATOM 564 CG ASN A 36 12.878 -1.649 6.470 1.00 0.00 C ATOM 565 OD1 ASN A 36 13.534 -2.262 7.309 1.00 0.00 O ATOM 566 ND2 ASN A 36 11.577 -1.871 6.294 1.00 0.00 N ATOM 0 H ASN A 36 11.645 0.029 7.248 1.00 0.00 H new ATOM 0 HA ASN A 36 14.094 1.306 6.272 1.00 0.00 H new ATOM 0 HB2 ASN A 36 13.206 -0.721 4.561 1.00 0.00 H new ATOM 0 HB3 ASN A 36 14.596 -0.675 5.626 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.097 -2.567 6.864 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.061 -1.345 5.589 1.00 0.00 H new ATOM 573 N LYS A 37 11.855 1.205 3.927 1.00 0.00 N ATOM 574 CA LYS A 37 11.273 1.965 2.817 1.00 0.00 C ATOM 575 C LYS A 37 10.559 1.013 1.848 1.00 0.00 C ATOM 576 O LYS A 37 10.346 -0.156 2.155 1.00 0.00 O ATOM 577 CB LYS A 37 12.319 2.875 2.127 1.00 0.00 C ATOM 578 CG LYS A 37 13.617 2.177 1.688 1.00 0.00 C ATOM 579 CD LYS A 37 14.831 2.819 2.377 1.00 0.00 C ATOM 580 CE LYS A 37 16.147 2.314 1.777 1.00 0.00 C ATOM 581 NZ LYS A 37 17.309 2.886 2.481 1.00 0.00 N ATOM 0 H LYS A 37 11.723 0.198 3.837 1.00 0.00 H new ATOM 0 HA LYS A 37 10.521 2.648 3.213 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.857 3.330 1.251 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.576 3.686 2.809 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.569 1.117 1.936 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.726 2.246 0.606 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.776 3.903 2.277 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.806 2.595 3.444 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.182 1.226 1.836 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.193 2.578 0.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.186 2.526 2.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.286 3.923 2.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.276 2.613 3.484 1.00 0.00 H new ATOM 595 N VAL A 38 10.170 1.522 0.681 1.00 0.00 N ATOM 596 CA VAL A 38 9.512 0.819 -0.406 1.00 0.00 C ATOM 597 C VAL A 38 10.240 1.194 -1.697 1.00 0.00 C ATOM 598 O VAL A 38 10.835 2.269 -1.751 1.00 0.00 O ATOM 599 CB VAL A 38 8.031 1.237 -0.399 1.00 0.00 C ATOM 600 CG1 VAL A 38 7.841 2.761 -0.450 1.00 0.00 C ATOM 601 CG2 VAL A 38 7.210 0.585 -1.517 1.00 0.00 C ATOM 0 H VAL A 38 10.319 2.506 0.460 1.00 0.00 H new ATOM 0 HA VAL A 38 9.548 -0.266 -0.307 1.00 0.00 H new ATOM 0 HB VAL A 38 7.654 0.870 0.556 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.777 2.995 -0.443 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.319 3.216 0.417 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.293 3.154 -1.361 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.176 0.923 -1.453 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.625 0.867 -2.485 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.245 -0.499 -1.409 1.00 0.00 H new ATOM 611 N ILE A 39 10.220 0.329 -2.719 1.00 0.00 N ATOM 612 CA ILE A 39 10.808 0.681 -4.012 1.00 0.00 C ATOM 613 C ILE A 39 10.117 1.919 -4.601 1.00 0.00 C ATOM 614 O ILE A 39 10.754 2.948 -4.812 1.00 0.00 O ATOM 615 CB ILE A 39 10.795 -0.509 -4.999 1.00 0.00 C ATOM 616 CG1 ILE A 39 9.455 -1.262 -5.112 1.00 0.00 C ATOM 617 CG2 ILE A 39 11.899 -1.513 -4.658 1.00 0.00 C ATOM 618 CD1 ILE A 39 8.886 -1.174 -6.529 1.00 0.00 C ATOM 0 H ILE A 39 9.810 -0.604 -2.676 1.00 0.00 H new ATOM 0 HA ILE A 39 11.856 0.929 -3.843 1.00 0.00 H new ATOM 0 HB ILE A 39 10.967 -0.047 -5.971 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.599 -2.308 -4.840 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.740 -0.844 -4.404 1.00 0.00 H new ATOM 0 HG21 ILE A 39 11.869 -2.341 -5.366 1.00 0.00 H new ATOM 0 HG22 ILE A 39 12.870 -1.020 -4.716 1.00 0.00 H new ATOM 0 HG23 ILE A 39 11.745 -1.894 -3.648 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.941 -1.715 -6.576 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.719 -0.129 -6.790 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.592 -1.615 -7.233 1.00 0.00 H new ATOM 630 N ARG A 40 8.809 1.797 -4.844 1.00 0.00 N ATOM 631 CA ARG A 40 7.962 2.705 -5.605 1.00 0.00 C ATOM 632 C ARG A 40 8.417 2.876 -7.070 1.00 0.00 C ATOM 633 O ARG A 40 9.609 2.859 -7.365 1.00 0.00 O ATOM 634 CB ARG A 40 7.723 4.054 -4.897 1.00 0.00 C ATOM 635 CG ARG A 40 6.489 4.014 -3.975 1.00 0.00 C ATOM 636 CD ARG A 40 5.737 5.353 -3.948 1.00 0.00 C ATOM 637 NE ARG A 40 6.431 6.369 -3.147 1.00 0.00 N ATOM 638 CZ ARG A 40 6.239 6.576 -1.834 1.00 0.00 C ATOM 639 NH1 ARG A 40 5.476 5.743 -1.117 1.00 0.00 N ATOM 640 NH2 ARG A 40 6.811 7.630 -1.245 1.00 0.00 N ATOM 0 H ARG A 40 8.281 1.001 -4.486 1.00 0.00 H new ATOM 0 HA ARG A 40 6.989 2.216 -5.649 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.604 4.317 -4.312 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.592 4.837 -5.644 1.00 0.00 H new ATOM 0 HG2 ARG A 40 5.813 3.227 -4.310 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.802 3.755 -2.964 1.00 0.00 H new ATOM 0 HD2 ARG A 40 5.615 5.719 -4.968 1.00 0.00 H new ATOM 0 HD3 ARG A 40 4.737 5.197 -3.544 1.00 0.00 H new ATOM 0 HE ARG A 40 7.110 6.962 -3.624 1.00 0.00 H new ATOM 0 HH11 ARG A 40 5.034 4.942 -1.567 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.337 5.909 -0.120 1.00 0.00 H new ATOM 0 HH21 ARG A 40 7.388 8.269 -1.792 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.671 7.795 -0.248 1.00 0.00 H new ATOM 654 N PRO A 41 7.475 3.060 -8.013 1.00 0.00 N ATOM 655 CA PRO A 41 6.037 2.916 -7.834 1.00 0.00 C ATOM 656 C PRO A 41 5.671 1.434 -7.654 1.00 0.00 C ATOM 657 O PRO A 41 6.541 0.570 -7.609 1.00 0.00 O ATOM 658 CB PRO A 41 5.422 3.533 -9.094 1.00 0.00 C ATOM 659 CG PRO A 41 6.472 3.240 -10.164 1.00 0.00 C ATOM 660 CD PRO A 41 7.791 3.359 -9.399 1.00 0.00 C ATOM 0 HA PRO A 41 5.662 3.415 -6.940 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.460 3.081 -9.337 1.00 0.00 H new ATOM 0 HB3 PRO A 41 5.251 4.603 -8.978 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.343 2.246 -10.593 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.418 3.952 -10.987 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.533 2.663 -9.789 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.210 4.360 -9.497 1.00 0.00 H new ATOM 668 N CYS A 42 4.380 1.150 -7.496 1.00 0.00 N ATOM 669 CA CYS A 42 3.830 -0.168 -7.178 1.00 0.00 C ATOM 670 C CYS A 42 2.639 -0.388 -8.115 1.00 0.00 C ATOM 671 O CYS A 42 2.478 0.393 -9.055 1.00 0.00 O ATOM 672 CB CYS A 42 3.490 -0.217 -5.681 1.00 0.00 C ATOM 673 SG CYS A 42 5.013 -0.471 -4.719 1.00 0.00 S ATOM 0 H CYS A 42 3.656 1.863 -7.590 1.00 0.00 H new ATOM 0 HA CYS A 42 4.532 -0.985 -7.342 1.00 0.00 H new ATOM 0 HB2 CYS A 42 3.006 0.711 -5.377 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.784 -1.024 -5.484 1.00 0.00 H new ATOM 0 HG CYS A 42 6.045 -0.200 -5.461 1.00 0.00 H new ATOM 679 N MET A 43 1.818 -1.429 -7.931 1.00 0.00 N ATOM 680 CA MET A 43 0.768 -1.714 -8.910 1.00 0.00 C ATOM 681 C MET A 43 -0.393 -2.489 -8.269 1.00 0.00 C ATOM 682 O MET A 43 -0.220 -3.122 -7.233 1.00 0.00 O ATOM 683 CB MET A 43 1.419 -2.407 -10.127 1.00 0.00 C ATOM 684 CG MET A 43 0.530 -2.369 -11.373 1.00 0.00 C ATOM 685 SD MET A 43 1.353 -2.358 -12.988 1.00 0.00 S ATOM 686 CE MET A 43 2.171 -3.965 -12.994 1.00 0.00 C ATOM 0 H MET A 43 1.858 -2.069 -7.138 1.00 0.00 H new ATOM 0 HA MET A 43 0.304 -0.796 -9.271 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.370 -1.924 -10.349 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.640 -3.444 -9.874 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.133 -3.233 -11.339 1.00 0.00 H new ATOM 0 HG3 MET A 43 -0.099 -1.481 -11.310 1.00 0.00 H new ATOM 0 HE1 MET A 43 2.716 -4.093 -13.930 1.00 0.00 H new ATOM 0 HE2 MET A 43 2.868 -4.022 -12.158 1.00 0.00 H new ATOM 0 HE3 MET A 43 1.425 -4.754 -12.898 1.00 0.00 H new ATOM 696 N LYS A 44 -1.603 -2.403 -8.831 1.00 0.00 N ATOM 697 CA LYS A 44 -2.805 -2.986 -8.241 1.00 0.00 C ATOM 698 C LYS A 44 -3.664 -3.630 -9.321 1.00 0.00 C ATOM 699 O LYS A 44 -3.467 -3.335 -10.499 1.00 0.00 O ATOM 700 CB LYS A 44 -3.588 -1.908 -7.472 1.00 0.00 C ATOM 701 CG LYS A 44 -4.416 -0.937 -8.340 1.00 0.00 C ATOM 702 CD LYS A 44 -5.855 -0.811 -7.805 1.00 0.00 C ATOM 703 CE LYS A 44 -6.764 -0.218 -8.887 1.00 0.00 C ATOM 704 NZ LYS A 44 -8.128 0.016 -8.383 1.00 0.00 N ATOM 0 H LYS A 44 -1.773 -1.923 -9.715 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.517 -3.765 -7.535 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.260 -2.403 -6.771 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.882 -1.326 -6.879 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.940 0.044 -8.350 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.437 -1.292 -9.370 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.227 -1.790 -7.502 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.868 -0.177 -6.919 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.341 0.721 -9.243 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.802 -0.894 -9.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.604 0.718 -8.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.663 -0.876 -8.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.081 0.371 -7.407 1.00 0.00 H new ATOM 718 N LYS A 45 -4.650 -4.444 -8.931 1.00 0.00 N ATOM 719 CA LYS A 45 -5.617 -4.996 -9.867 1.00 0.00 C ATOM 720 C LYS A 45 -6.815 -5.600 -9.141 1.00 0.00 C ATOM 721 O LYS A 45 -6.770 -5.793 -7.929 1.00 0.00 O ATOM 722 CB LYS A 45 -4.957 -6.081 -10.717 1.00 0.00 C ATOM 723 CG LYS A 45 -4.588 -7.345 -9.918 1.00 0.00 C ATOM 724 CD LYS A 45 -4.875 -8.519 -10.843 1.00 0.00 C ATOM 725 CE LYS A 45 -4.308 -9.836 -10.315 1.00 0.00 C ATOM 726 NZ LYS A 45 -4.560 -10.928 -11.272 1.00 0.00 N ATOM 0 H LYS A 45 -4.794 -4.733 -7.964 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.967 -4.180 -10.500 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.631 -6.357 -11.528 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.056 -5.674 -11.176 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.539 -7.328 -9.622 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.177 -7.415 -9.003 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.953 -8.618 -10.974 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.452 -8.314 -11.826 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.236 -9.735 -10.144 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.763 -10.075 -9.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.168 -11.815 -10.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.585 -11.035 -11.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.105 -10.705 -12.180 1.00 0.00 H new ATOM 740 N THR A 46 -7.850 -5.973 -9.890 1.00 0.00 N ATOM 741 CA THR A 46 -8.948 -6.793 -9.409 1.00 0.00 C ATOM 742 C THR A 46 -8.613 -8.259 -9.702 1.00 0.00 C ATOM 743 O THR A 46 -8.393 -8.620 -10.857 1.00 0.00 O ATOM 744 CB THR A 46 -10.262 -6.317 -10.051 1.00 0.00 C ATOM 745 OG1 THR A 46 -11.314 -7.209 -9.743 1.00 0.00 O ATOM 746 CG2 THR A 46 -10.187 -6.104 -11.570 1.00 0.00 C ATOM 0 H THR A 46 -7.946 -5.705 -10.869 1.00 0.00 H new ATOM 0 HA THR A 46 -9.086 -6.698 -8.332 1.00 0.00 H new ATOM 0 HB THR A 46 -10.456 -5.336 -9.618 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.144 -6.892 -10.157 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.156 -5.769 -11.939 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.433 -5.350 -11.795 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.918 -7.042 -12.056 1.00 0.00 H new ATOM 754 N ILE A 47 -8.511 -9.105 -8.671 1.00 0.00 N ATOM 755 CA ILE A 47 -8.201 -10.513 -8.872 1.00 0.00 C ATOM 756 C ILE A 47 -9.468 -11.274 -9.264 1.00 0.00 C ATOM 757 O ILE A 47 -10.546 -11.057 -8.709 1.00 0.00 O ATOM 758 CB ILE A 47 -7.519 -11.114 -7.631 1.00 0.00 C ATOM 759 CG1 ILE A 47 -7.372 -12.641 -7.777 1.00 0.00 C ATOM 760 CG2 ILE A 47 -8.318 -10.786 -6.374 1.00 0.00 C ATOM 761 CD1 ILE A 47 -6.375 -13.252 -6.784 1.00 0.00 C ATOM 0 H ILE A 47 -8.639 -8.835 -7.696 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.489 -10.607 -9.692 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.525 -10.675 -7.543 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.347 -13.108 -7.636 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.051 -12.873 -8.793 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.822 -11.218 -5.505 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.381 -9.704 -6.255 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.322 -11.201 -6.463 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.319 -14.329 -6.941 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.390 -12.811 -6.939 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.706 -13.050 -5.765 1.00 0.00 H new ATOM 773 N TYR A 48 -9.316 -12.194 -10.215 1.00 0.00 N ATOM 774 CA TYR A 48 -10.365 -13.108 -10.628 1.00 0.00 C ATOM 775 C TYR A 48 -10.302 -14.376 -9.789 1.00 0.00 C ATOM 776 O TYR A 48 -9.281 -14.711 -9.193 1.00 0.00 O ATOM 777 CB TYR A 48 -10.169 -13.481 -12.102 1.00 0.00 C ATOM 778 CG TYR A 48 -9.871 -12.335 -13.045 1.00 0.00 C ATOM 779 CD1 TYR A 48 -10.403 -11.060 -12.793 1.00 0.00 C ATOM 780 CD2 TYR A 48 -8.882 -12.493 -14.035 1.00 0.00 C ATOM 781 CE1 TYR A 48 -9.882 -9.935 -13.451 1.00 0.00 C ATOM 782 CE2 TYR A 48 -8.354 -11.366 -14.686 1.00 0.00 C ATOM 783 CZ TYR A 48 -8.813 -10.083 -14.349 1.00 0.00 C ATOM 784 OH TYR A 48 -8.178 -8.986 -14.847 1.00 0.00 O ATOM 0 H TYR A 48 -8.442 -12.323 -10.726 1.00 0.00 H new ATOM 0 HA TYR A 48 -11.332 -12.624 -10.492 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -9.353 -14.201 -12.168 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -11.069 -13.987 -12.451 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.215 -10.945 -12.091 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -8.530 -13.481 -14.294 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.303 -8.957 -13.267 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -7.595 -11.486 -15.445 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.462 -9.270 -15.453 1.00 0.00 H new ATOM 794 N GLU A 49 -11.382 -15.145 -9.828 1.00 0.00 N ATOM 795 CA GLU A 49 -11.627 -16.321 -9.012 1.00 0.00 C ATOM 796 C GLU A 49 -10.781 -17.555 -9.347 1.00 0.00 C ATOM 797 O GLU A 49 -11.085 -18.675 -8.939 1.00 0.00 O ATOM 798 CB GLU A 49 -13.128 -16.606 -9.113 1.00 0.00 C ATOM 799 CG GLU A 49 -13.667 -16.724 -10.552 1.00 0.00 C ATOM 800 CD GLU A 49 -14.323 -15.442 -11.071 1.00 0.00 C ATOM 801 OE1 GLU A 49 -13.938 -14.355 -10.580 1.00 0.00 O ATOM 802 OE2 GLU A 49 -15.216 -15.570 -11.935 1.00 0.00 O ATOM 0 H GLU A 49 -12.153 -14.951 -10.467 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.314 -16.102 -7.991 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.344 -17.533 -8.582 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.670 -15.811 -8.601 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.847 -16.997 -11.216 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.394 -17.536 -10.593 1.00 0.00 H new ATOM 809 N ASN A 50 -9.669 -17.345 -10.034 1.00 0.00 N ATOM 810 CA ASN A 50 -8.825 -18.395 -10.592 1.00 0.00 C ATOM 811 C ASN A 50 -7.812 -18.865 -9.554 1.00 0.00 C ATOM 812 O ASN A 50 -6.630 -19.003 -9.858 1.00 0.00 O ATOM 813 CB ASN A 50 -8.143 -17.873 -11.865 1.00 0.00 C ATOM 814 CG ASN A 50 -9.154 -17.523 -12.953 1.00 0.00 C ATOM 815 OD1 ASN A 50 -10.108 -18.257 -13.188 1.00 0.00 O ATOM 816 ND2 ASN A 50 -8.969 -16.391 -13.627 1.00 0.00 N ATOM 0 H ASN A 50 -9.316 -16.408 -10.226 1.00 0.00 H new ATOM 0 HA ASN A 50 -9.433 -19.258 -10.861 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.551 -16.990 -11.623 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.452 -18.627 -12.241 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.628 -16.118 -14.356 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.168 -15.796 -13.414 1.00 0.00 H new ATOM 823 N GLU A 51 -8.288 -19.119 -8.332 1.00 0.00 N ATOM 824 CA GLU A 51 -7.503 -19.616 -7.215 1.00 0.00 C ATOM 825 C GLU A 51 -8.454 -20.005 -6.080 1.00 0.00 C ATOM 826 O GLU A 51 -8.364 -19.490 -4.971 1.00 0.00 O ATOM 827 CB GLU A 51 -6.431 -18.590 -6.800 1.00 0.00 C ATOM 828 CG GLU A 51 -5.468 -19.143 -5.737 1.00 0.00 C ATOM 829 CD GLU A 51 -4.123 -18.426 -5.767 1.00 0.00 C ATOM 830 OE1 GLU A 51 -4.064 -17.300 -5.225 1.00 0.00 O ATOM 831 OE2 GLU A 51 -3.178 -19.014 -6.338 1.00 0.00 O ATOM 0 H GLU A 51 -9.269 -18.976 -8.092 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.950 -20.511 -7.502 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.862 -18.288 -7.679 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.919 -17.695 -6.413 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.916 -19.035 -4.749 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.316 -20.209 -5.903 1.00 0.00 H new ATOM 838 N GLY A 52 -9.373 -20.928 -6.378 1.00 0.00 N ATOM 839 CA GLY A 52 -10.239 -21.559 -5.391 1.00 0.00 C ATOM 840 C GLY A 52 -11.007 -20.560 -4.529 1.00 0.00 C ATOM 841 O GLY A 52 -11.002 -20.664 -3.305 1.00 0.00 O ATOM 0 H GLY A 52 -9.535 -21.260 -7.329 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.950 -22.207 -5.904 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.636 -22.197 -4.745 1.00 0.00 H new ATOM 845 N PHE A 53 -11.705 -19.627 -5.178 1.00 0.00 N ATOM 846 CA PHE A 53 -12.590 -18.676 -4.527 1.00 0.00 C ATOM 847 C PHE A 53 -13.856 -18.522 -5.358 1.00 0.00 C ATOM 848 O PHE A 53 -13.893 -18.882 -6.533 1.00 0.00 O ATOM 849 CB PHE A 53 -11.892 -17.320 -4.349 1.00 0.00 C ATOM 850 CG PHE A 53 -10.965 -17.244 -3.152 1.00 0.00 C ATOM 851 CD1 PHE A 53 -11.493 -17.342 -1.850 1.00 0.00 C ATOM 852 CD2 PHE A 53 -9.585 -17.032 -3.329 1.00 0.00 C ATOM 853 CE1 PHE A 53 -10.648 -17.224 -0.733 1.00 0.00 C ATOM 854 CE2 PHE A 53 -8.741 -16.905 -2.210 1.00 0.00 C ATOM 855 CZ PHE A 53 -9.273 -16.996 -0.913 1.00 0.00 C ATOM 0 H PHE A 53 -11.666 -19.514 -6.191 1.00 0.00 H new ATOM 0 HA PHE A 53 -12.852 -19.048 -3.536 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -11.320 -17.099 -5.250 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -12.652 -16.544 -4.255 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -12.551 -17.508 -1.709 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -9.173 -16.967 -4.325 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -11.055 -17.309 0.264 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -7.683 -16.737 -2.349 1.00 0.00 H new ATOM 0 HZ PHE A 53 -8.626 -16.891 -0.055 1.00 0.00 H new ATOM 865 N ARG A 54 -14.889 -17.975 -4.721 1.00 0.00 N ATOM 866 CA ARG A 54 -16.133 -17.582 -5.360 1.00 0.00 C ATOM 867 C ARG A 54 -15.869 -16.419 -6.326 1.00 0.00 C ATOM 868 O ARG A 54 -14.837 -15.753 -6.238 1.00 0.00 O ATOM 869 CB ARG A 54 -17.139 -17.236 -4.250 1.00 0.00 C ATOM 870 CG ARG A 54 -18.537 -16.875 -4.762 1.00 0.00 C ATOM 871 CD ARG A 54 -19.536 -16.875 -3.599 1.00 0.00 C ATOM 872 NE ARG A 54 -20.822 -16.284 -3.992 1.00 0.00 N ATOM 873 CZ ARG A 54 -21.766 -16.880 -4.735 1.00 0.00 C ATOM 874 NH1 ARG A 54 -21.582 -18.117 -5.207 1.00 0.00 N ATOM 875 NH2 ARG A 54 -22.901 -16.224 -5.001 1.00 0.00 N ATOM 0 H ARG A 54 -14.879 -17.790 -3.718 1.00 0.00 H new ATOM 0 HA ARG A 54 -16.556 -18.387 -5.962 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -17.221 -18.085 -3.571 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -16.749 -16.400 -3.669 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -18.518 -15.894 -5.236 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -18.851 -17.590 -5.522 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -19.694 -17.897 -3.255 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -19.119 -16.317 -2.760 1.00 0.00 H new ATOM 0 HE ARG A 54 -21.014 -15.335 -3.671 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -20.717 -18.617 -5.003 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -22.307 -18.561 -5.771 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -23.041 -15.280 -4.640 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -23.626 -16.667 -5.565 1.00 0.00 H new ATOM 889 N GLU A 55 -16.798 -16.193 -7.260 1.00 0.00 N ATOM 890 CA GLU A 55 -16.771 -15.169 -8.264 1.00 0.00 C ATOM 891 C GLU A 55 -16.371 -13.799 -7.695 1.00 0.00 C ATOM 892 O GLU A 55 -17.056 -13.280 -6.820 1.00 0.00 O ATOM 893 CB GLU A 55 -18.159 -15.189 -8.913 1.00 0.00 C ATOM 894 CG GLU A 55 -19.366 -15.180 -7.954 1.00 0.00 C ATOM 895 CD GLU A 55 -20.656 -14.850 -8.697 1.00 0.00 C ATOM 896 OE1 GLU A 55 -20.964 -13.643 -8.794 1.00 0.00 O ATOM 897 OE2 GLU A 55 -21.305 -15.812 -9.161 1.00 0.00 O ATOM 0 H GLU A 55 -17.638 -16.769 -7.324 1.00 0.00 H new ATOM 0 HA GLU A 55 -16.002 -15.360 -9.013 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -18.240 -14.325 -9.572 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -18.229 -16.077 -9.542 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -19.459 -16.154 -7.473 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -19.201 -14.448 -7.163 1.00 0.00 H new ATOM 904 N ILE A 56 -15.278 -13.228 -8.222 1.00 0.00 N ATOM 905 CA ILE A 56 -14.724 -11.929 -7.863 1.00 0.00 C ATOM 906 C ILE A 56 -14.410 -11.843 -6.360 1.00 0.00 C ATOM 907 O ILE A 56 -15.275 -11.544 -5.540 1.00 0.00 O ATOM 908 CB ILE A 56 -15.618 -10.773 -8.358 1.00 0.00 C ATOM 909 CG1 ILE A 56 -15.865 -10.778 -9.880 1.00 0.00 C ATOM 910 CG2 ILE A 56 -14.946 -9.429 -8.030 1.00 0.00 C ATOM 911 CD1 ILE A 56 -16.911 -11.789 -10.366 1.00 0.00 C ATOM 0 H ILE A 56 -14.733 -13.691 -8.949 1.00 0.00 H new ATOM 0 HA ILE A 56 -13.771 -11.820 -8.380 1.00 0.00 H new ATOM 0 HB ILE A 56 -16.574 -10.909 -7.852 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -16.178 -9.780 -10.185 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -14.921 -10.984 -10.385 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -15.577 -8.612 -8.379 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -14.807 -9.345 -6.952 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -13.977 -9.376 -8.526 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -17.013 -11.715 -11.449 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -16.594 -12.797 -10.099 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -17.871 -11.574 -9.896 1.00 0.00 H new ATOM 923 N LYS A 57 -13.136 -12.025 -5.995 1.00 0.00 N ATOM 924 CA LYS A 57 -12.724 -11.967 -4.596 1.00 0.00 C ATOM 925 C LYS A 57 -12.702 -10.502 -4.142 1.00 0.00 C ATOM 926 O LYS A 57 -13.192 -10.167 -3.061 1.00 0.00 O ATOM 927 CB LYS A 57 -11.343 -12.625 -4.458 1.00 0.00 C ATOM 928 CG LYS A 57 -10.868 -12.799 -3.008 1.00 0.00 C ATOM 929 CD LYS A 57 -11.678 -13.867 -2.255 1.00 0.00 C ATOM 930 CE LYS A 57 -12.544 -13.282 -1.136 1.00 0.00 C ATOM 931 NZ LYS A 57 -11.721 -12.781 -0.022 1.00 0.00 N ATOM 0 H LYS A 57 -12.377 -12.213 -6.650 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.425 -12.508 -3.960 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.370 -13.603 -4.939 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.611 -12.024 -4.998 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.814 -13.075 -3.004 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.950 -11.847 -2.484 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.317 -14.396 -2.962 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.994 -14.602 -1.831 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.154 -12.470 -1.533 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.230 -14.045 -0.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.337 -12.517 0.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.061 -13.524 0.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.184 -11.947 -0.335 1.00 0.00 H new ATOM 945 N GLY A 58 -12.165 -9.621 -4.993 1.00 0.00 N ATOM 946 CA GLY A 58 -12.165 -8.188 -4.776 1.00 0.00 C ATOM 947 C GLY A 58 -10.927 -7.563 -5.390 1.00 0.00 C ATOM 948 O GLY A 58 -10.376 -8.073 -6.370 1.00 0.00 O ATOM 0 H GLY A 58 -11.713 -9.899 -5.864 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -13.060 -7.747 -5.215 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -12.196 -7.975 -3.707 1.00 0.00 H new ATOM 952 N TYR A 59 -10.509 -6.439 -4.808 1.00 0.00 N ATOM 953 CA TYR A 59 -9.295 -5.759 -5.212 1.00 0.00 C ATOM 954 C TYR A 59 -8.081 -6.426 -4.596 1.00 0.00 C ATOM 955 O TYR A 59 -8.196 -7.104 -3.577 1.00 0.00 O ATOM 956 CB TYR A 59 -9.357 -4.254 -4.873 1.00 0.00 C ATOM 957 CG TYR A 59 -9.897 -3.446 -6.032 1.00 0.00 C ATOM 958 CD1 TYR A 59 -9.213 -3.530 -7.254 1.00 0.00 C ATOM 959 CD2 TYR A 59 -11.126 -2.766 -5.960 1.00 0.00 C ATOM 960 CE1 TYR A 59 -9.736 -2.918 -8.403 1.00 0.00 C ATOM 961 CE2 TYR A 59 -11.655 -2.154 -7.112 1.00 0.00 C ATOM 962 CZ TYR A 59 -10.960 -2.232 -8.333 1.00 0.00 C ATOM 963 OH TYR A 59 -11.465 -1.646 -9.454 1.00 0.00 O ATOM 0 H TYR A 59 -11.007 -5.981 -4.045 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.203 -5.837 -6.295 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.988 -4.103 -3.997 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.360 -3.897 -4.613 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.279 -4.069 -7.311 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.662 -2.714 -5.024 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.199 -2.974 -9.339 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -12.595 -1.624 -7.059 1.00 0.00 H new ATOM 0 HH TYR A 59 -12.318 -1.213 -9.241 1.00 0.00 H new ATOM 973 N GLU A 60 -6.925 -6.217 -5.222 1.00 0.00 N ATOM 974 CA GLU A 60 -5.628 -6.544 -4.707 1.00 0.00 C ATOM 975 C GLU A 60 -4.698 -5.372 -5.008 1.00 0.00 C ATOM 976 O GLU A 60 -4.767 -4.792 -6.092 1.00 0.00 O ATOM 977 CB GLU A 60 -5.112 -7.818 -5.371 1.00 0.00 C ATOM 978 CG GLU A 60 -5.428 -9.057 -4.526 1.00 0.00 C ATOM 979 CD GLU A 60 -4.803 -10.331 -5.087 1.00 0.00 C ATOM 980 OE1 GLU A 60 -4.267 -10.266 -6.215 1.00 0.00 O ATOM 981 OE2 GLU A 60 -4.867 -11.352 -4.369 1.00 0.00 O ATOM 0 H GLU A 60 -6.882 -5.793 -6.149 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.674 -6.719 -3.632 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.563 -7.924 -6.358 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.035 -7.742 -5.519 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.069 -8.899 -3.509 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.509 -9.184 -4.466 1.00 0.00 H new ATOM 988 N TYR A 61 -3.827 -5.045 -4.056 1.00 0.00 N ATOM 989 CA TYR A 61 -2.811 -4.016 -4.186 1.00 0.00 C ATOM 990 C TYR A 61 -1.454 -4.681 -3.954 1.00 0.00 C ATOM 991 O TYR A 61 -1.216 -5.184 -2.855 1.00 0.00 O ATOM 992 CB TYR A 61 -3.079 -2.913 -3.161 1.00 0.00 C ATOM 993 CG TYR A 61 -4.479 -2.319 -3.197 1.00 0.00 C ATOM 994 CD1 TYR A 61 -4.834 -1.378 -4.178 1.00 0.00 C ATOM 995 CD2 TYR A 61 -5.363 -2.567 -2.134 1.00 0.00 C ATOM 996 CE1 TYR A 61 -6.097 -0.760 -4.141 1.00 0.00 C ATOM 997 CE2 TYR A 61 -6.591 -1.888 -2.058 1.00 0.00 C ATOM 998 CZ TYR A 61 -6.985 -1.030 -3.094 1.00 0.00 C ATOM 999 OH TYR A 61 -8.212 -0.438 -3.087 1.00 0.00 O ATOM 0 H TYR A 61 -3.813 -5.506 -3.146 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.825 -3.558 -5.175 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.898 -3.314 -2.164 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -2.358 -2.111 -3.318 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -4.135 -1.128 -4.963 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.097 -3.284 -1.371 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -6.383 -0.074 -4.925 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.232 -2.027 -1.200 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.849 -1.011 -2.611 1.00 0.00 H new ATOM 1009 N GLN A 62 -0.597 -4.719 -4.982 1.00 0.00 N ATOM 1010 CA GLN A 62 0.718 -5.343 -4.944 1.00 0.00 C ATOM 1011 C GLN A 62 1.765 -4.250 -4.744 1.00 0.00 C ATOM 1012 O GLN A 62 1.972 -3.395 -5.608 1.00 0.00 O ATOM 1013 CB GLN A 62 0.966 -6.110 -6.251 1.00 0.00 C ATOM 1014 CG GLN A 62 2.293 -6.888 -6.237 1.00 0.00 C ATOM 1015 CD GLN A 62 2.967 -6.867 -7.602 1.00 0.00 C ATOM 1016 OE1 GLN A 62 3.803 -6.013 -7.873 1.00 0.00 O ATOM 1017 NE2 GLN A 62 2.616 -7.802 -8.478 1.00 0.00 N ATOM 0 H GLN A 62 -0.813 -4.302 -5.887 1.00 0.00 H new ATOM 0 HA GLN A 62 0.780 -6.055 -4.121 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.144 -6.805 -6.422 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.969 -5.408 -7.085 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.962 -6.455 -5.493 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.108 -7.920 -5.937 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.917 -8.501 -8.226 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.045 -7.821 -9.403 1.00 0.00 H new ATOM 1026 N LEU A 63 2.439 -4.290 -3.598 1.00 0.00 N ATOM 1027 CA LEU A 63 3.474 -3.346 -3.237 1.00 0.00 C ATOM 1028 C LEU A 63 4.717 -4.085 -2.746 1.00 0.00 C ATOM 1029 O LEU A 63 4.655 -4.984 -1.910 1.00 0.00 O ATOM 1030 CB LEU A 63 2.928 -2.302 -2.256 1.00 0.00 C ATOM 1031 CG LEU A 63 2.241 -2.909 -1.021 1.00 0.00 C ATOM 1032 CD1 LEU A 63 3.040 -2.569 0.239 1.00 0.00 C ATOM 1033 CD2 LEU A 63 0.804 -2.391 -0.893 1.00 0.00 C ATOM 0 H LEU A 63 2.271 -4.998 -2.883 1.00 0.00 H new ATOM 0 HA LEU A 63 3.792 -2.784 -4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.747 -1.663 -1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.216 -1.663 -2.779 1.00 0.00 H new ATOM 0 HG LEU A 63 2.205 -3.992 -1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.548 -3.002 1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.047 -2.976 0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.095 -1.486 0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.335 -2.832 -0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.816 -1.306 -0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.237 -2.666 -1.783 1.00 0.00 H new ATOM 1045 N TYR A 64 5.859 -3.710 -3.318 1.00 0.00 N ATOM 1046 CA TYR A 64 7.151 -4.303 -3.047 1.00 0.00 C ATOM 1047 C TYR A 64 7.862 -3.460 -1.989 1.00 0.00 C ATOM 1048 O TYR A 64 8.583 -2.512 -2.308 1.00 0.00 O ATOM 1049 CB TYR A 64 7.914 -4.360 -4.369 1.00 0.00 C ATOM 1050 CG TYR A 64 7.712 -5.645 -5.140 1.00 0.00 C ATOM 1051 CD1 TYR A 64 8.379 -6.807 -4.718 1.00 0.00 C ATOM 1052 CD2 TYR A 64 6.927 -5.667 -6.309 1.00 0.00 C ATOM 1053 CE1 TYR A 64 8.276 -7.982 -5.477 1.00 0.00 C ATOM 1054 CE2 TYR A 64 6.838 -6.846 -7.072 1.00 0.00 C ATOM 1055 CZ TYR A 64 7.517 -8.002 -6.658 1.00 0.00 C ATOM 1056 OH TYR A 64 7.398 -9.163 -7.362 1.00 0.00 O ATOM 0 H TYR A 64 5.903 -2.958 -4.006 1.00 0.00 H new ATOM 0 HA TYR A 64 7.072 -5.316 -2.652 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.604 -3.521 -4.992 1.00 0.00 H new ATOM 0 HB3 TYR A 64 8.978 -4.232 -4.169 1.00 0.00 H new ATOM 0 HD1 TYR A 64 8.969 -6.796 -3.813 1.00 0.00 H new ATOM 0 HD2 TYR A 64 6.394 -4.780 -6.619 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.784 -8.877 -5.151 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.247 -6.861 -7.976 1.00 0.00 H new ATOM 0 HH TYR A 64 6.840 -9.010 -8.153 1.00 0.00 H new ATOM 1066 N VAL A 65 7.628 -3.794 -0.719 1.00 0.00 N ATOM 1067 CA VAL A 65 8.207 -3.067 0.399 1.00 0.00 C ATOM 1068 C VAL A 65 9.618 -3.607 0.665 1.00 0.00 C ATOM 1069 O VAL A 65 9.843 -4.820 0.601 1.00 0.00 O ATOM 1070 CB VAL A 65 7.247 -3.110 1.601 1.00 0.00 C ATOM 1071 CG1 VAL A 65 7.108 -4.492 2.243 1.00 0.00 C ATOM 1072 CG2 VAL A 65 7.614 -2.066 2.659 1.00 0.00 C ATOM 0 H VAL A 65 7.033 -4.575 -0.443 1.00 0.00 H new ATOM 0 HA VAL A 65 8.330 -2.007 0.176 1.00 0.00 H new ATOM 0 HB VAL A 65 6.270 -2.866 1.184 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.414 -4.435 3.082 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.729 -5.199 1.505 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.082 -4.827 2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.912 -2.129 3.491 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.624 -2.255 3.021 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.567 -1.070 2.219 1.00 0.00 H new ATOM 1082 N TYR A 66 10.573 -2.707 0.931 1.00 0.00 N ATOM 1083 CA TYR A 66 11.917 -3.067 1.326 1.00 0.00 C ATOM 1084 C TYR A 66 11.896 -3.235 2.837 1.00 0.00 C ATOM 1085 O TYR A 66 11.462 -2.330 3.554 1.00 0.00 O ATOM 1086 CB TYR A 66 12.906 -1.956 0.948 1.00 0.00 C ATOM 1087 CG TYR A 66 13.498 -2.030 -0.441 1.00 0.00 C ATOM 1088 CD1 TYR A 66 14.245 -3.163 -0.794 1.00 0.00 C ATOM 1089 CD2 TYR A 66 13.514 -0.897 -1.276 1.00 0.00 C ATOM 1090 CE1 TYR A 66 14.929 -3.214 -2.019 1.00 0.00 C ATOM 1091 CE2 TYR A 66 14.248 -0.923 -2.474 1.00 0.00 C ATOM 1092 CZ TYR A 66 14.917 -2.095 -2.868 1.00 0.00 C ATOM 1093 OH TYR A 66 15.550 -2.142 -4.074 1.00 0.00 O ATOM 0 H TYR A 66 10.420 -1.700 0.874 1.00 0.00 H new ATOM 0 HA TYR A 66 12.233 -3.981 0.823 1.00 0.00 H new ATOM 0 HB2 TYR A 66 12.399 -0.997 1.053 1.00 0.00 H new ATOM 0 HB3 TYR A 66 13.723 -1.966 1.669 1.00 0.00 H new ATOM 0 HD1 TYR A 66 14.295 -4.004 -0.118 1.00 0.00 H new ATOM 0 HD2 TYR A 66 12.964 -0.011 -0.997 1.00 0.00 H new ATOM 0 HE1 TYR A 66 15.461 -4.108 -2.307 1.00 0.00 H new ATOM 0 HE2 TYR A 66 14.298 -0.040 -3.094 1.00 0.00 H new ATOM 0 HH TYR A 66 15.442 -1.283 -4.534 1.00 0.00 H new ATOM 1103 N ALA A 67 12.363 -4.379 3.333 1.00 0.00 N ATOM 1104 CA ALA A 67 12.397 -4.617 4.759 1.00 0.00 C ATOM 1105 C ALA A 67 13.504 -5.600 5.096 1.00 0.00 C ATOM 1106 O ALA A 67 13.789 -6.484 4.296 1.00 0.00 O ATOM 1107 CB ALA A 67 11.015 -5.052 5.241 1.00 0.00 C ATOM 0 H ALA A 67 12.720 -5.147 2.765 1.00 0.00 H new ATOM 0 HA ALA A 67 12.636 -3.699 5.295 1.00 0.00 H new ATOM 0 HB1 ALA A 67 11.044 -5.231 6.316 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.290 -4.268 5.023 1.00 0.00 H new ATOM 0 HB3 ALA A 67 10.723 -5.969 4.729 1.00 0.00 H new ATOM 1113 N SER A 68 14.190 -5.415 6.230 1.00 0.00 N ATOM 1114 CA SER A 68 15.382 -6.204 6.551 1.00 0.00 C ATOM 1115 C SER A 68 16.436 -6.161 5.426 1.00 0.00 C ATOM 1116 O SER A 68 17.234 -7.081 5.279 1.00 0.00 O ATOM 1117 CB SER A 68 14.997 -7.650 6.905 1.00 0.00 C ATOM 1118 OG SER A 68 15.947 -8.215 7.784 1.00 0.00 O ATOM 0 H SER A 68 13.939 -4.726 6.939 1.00 0.00 H new ATOM 0 HA SER A 68 15.846 -5.748 7.426 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.010 -7.667 7.368 1.00 0.00 H new ATOM 0 HB3 SER A 68 14.933 -8.248 5.996 1.00 0.00 H new ATOM 0 HG SER A 68 15.686 -9.135 8.000 1.00 0.00 H new ATOM 1124 N ASP A 69 16.420 -5.108 4.602 1.00 0.00 N ATOM 1125 CA ASP A 69 17.213 -4.989 3.381 1.00 0.00 C ATOM 1126 C ASP A 69 17.008 -6.168 2.408 1.00 0.00 C ATOM 1127 O ASP A 69 17.917 -6.541 1.672 1.00 0.00 O ATOM 1128 CB ASP A 69 18.686 -4.733 3.734 1.00 0.00 C ATOM 1129 CG ASP A 69 19.529 -4.343 2.521 1.00 0.00 C ATOM 1130 OD1 ASP A 69 19.050 -3.486 1.745 1.00 0.00 O ATOM 1131 OD2 ASP A 69 20.650 -4.884 2.407 1.00 0.00 O ATOM 0 H ASP A 69 15.835 -4.291 4.775 1.00 0.00 H new ATOM 0 HA ASP A 69 16.852 -4.123 2.827 1.00 0.00 H new ATOM 0 HB2 ASP A 69 18.743 -3.940 4.480 1.00 0.00 H new ATOM 0 HB3 ASP A 69 19.106 -5.630 4.189 1.00 0.00 H new ATOM 1136 N LYS A 70 15.797 -6.733 2.379 1.00 0.00 N ATOM 1137 CA LYS A 70 15.315 -7.656 1.358 1.00 0.00 C ATOM 1138 C LYS A 70 14.046 -7.036 0.773 1.00 0.00 C ATOM 1139 O LYS A 70 13.476 -6.114 1.362 1.00 0.00 O ATOM 1140 CB LYS A 70 14.971 -9.034 1.946 1.00 0.00 C ATOM 1141 CG LYS A 70 16.173 -9.938 2.253 1.00 0.00 C ATOM 1142 CD LYS A 70 16.887 -9.548 3.551 1.00 0.00 C ATOM 1143 CE LYS A 70 17.637 -10.726 4.183 1.00 0.00 C ATOM 1144 NZ LYS A 70 16.713 -11.747 4.711 1.00 0.00 N ATOM 0 H LYS A 70 15.099 -6.549 3.100 1.00 0.00 H new ATOM 0 HA LYS A 70 16.091 -7.808 0.607 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.405 -8.887 2.866 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.315 -9.555 1.248 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.836 -10.972 2.325 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.880 -9.890 1.425 1.00 0.00 H new ATOM 0 HD2 LYS A 70 17.590 -8.741 3.347 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.157 -9.162 4.262 1.00 0.00 H new ATOM 0 HE2 LYS A 70 18.293 -11.180 3.440 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.273 -10.361 4.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.214 -12.348 5.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.912 -11.280 5.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.361 -12.334 3.928 1.00 0.00 H new ATOM 1158 N LEU A 71 13.589 -7.553 -0.368 1.00 0.00 N ATOM 1159 CA LEU A 71 12.289 -7.214 -0.918 1.00 0.00 C ATOM 1160 C LEU A 71 11.279 -8.215 -0.378 1.00 0.00 C ATOM 1161 O LEU A 71 11.525 -9.421 -0.388 1.00 0.00 O ATOM 1162 CB LEU A 71 12.351 -7.243 -2.452 1.00 0.00 C ATOM 1163 CG LEU A 71 12.569 -5.834 -3.017 1.00 0.00 C ATOM 1164 CD1 LEU A 71 13.550 -5.847 -4.188 1.00 0.00 C ATOM 1165 CD2 LEU A 71 11.245 -5.223 -3.458 1.00 0.00 C ATOM 0 H LEU A 71 14.116 -8.219 -0.933 1.00 0.00 H new ATOM 0 HA LEU A 71 11.989 -6.208 -0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 71 13.160 -7.898 -2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.426 -7.660 -2.850 1.00 0.00 H new ATOM 0 HG LEU A 71 12.996 -5.225 -2.221 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.681 -4.832 -4.564 1.00 0.00 H new ATOM 0 HD12 LEU A 71 14.511 -6.237 -3.853 1.00 0.00 H new ATOM 0 HD13 LEU A 71 13.159 -6.481 -4.984 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.420 -4.223 -3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.795 -5.847 -4.230 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.571 -5.160 -2.604 1.00 0.00 H new ATOM 1177 N PHE A 72 10.140 -7.714 0.092 1.00 0.00 N ATOM 1178 CA PHE A 72 9.027 -8.528 0.520 1.00 0.00 C ATOM 1179 C PHE A 72 7.847 -8.157 -0.370 1.00 0.00 C ATOM 1180 O PHE A 72 7.427 -6.999 -0.393 1.00 0.00 O ATOM 1181 CB PHE A 72 8.786 -8.244 1.999 1.00 0.00 C ATOM 1182 CG PHE A 72 9.745 -8.970 2.924 1.00 0.00 C ATOM 1183 CD1 PHE A 72 9.526 -10.316 3.270 1.00 0.00 C ATOM 1184 CD2 PHE A 72 10.821 -8.272 3.488 1.00 0.00 C ATOM 1185 CE1 PHE A 72 10.338 -10.930 4.242 1.00 0.00 C ATOM 1186 CE2 PHE A 72 11.632 -8.879 4.466 1.00 0.00 C ATOM 1187 CZ PHE A 72 11.382 -10.210 4.846 1.00 0.00 C ATOM 0 H PHE A 72 9.971 -6.712 0.184 1.00 0.00 H new ATOM 0 HA PHE A 72 9.201 -9.600 0.424 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.870 -7.171 2.172 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.765 -8.529 2.253 1.00 0.00 H new ATOM 0 HD1 PHE A 72 8.737 -10.877 2.791 1.00 0.00 H new ATOM 0 HD2 PHE A 72 11.030 -7.261 3.170 1.00 0.00 H new ATOM 0 HE1 PHE A 72 10.158 -11.957 4.524 1.00 0.00 H new ATOM 0 HE2 PHE A 72 12.441 -8.326 4.921 1.00 0.00 H new ATOM 0 HZ PHE A 72 11.993 -10.679 5.603 1.00 0.00 H new ATOM 1197 N ARG A 73 7.345 -9.124 -1.144 1.00 0.00 N ATOM 1198 CA ARG A 73 6.238 -8.901 -2.048 1.00 0.00 C ATOM 1199 C ARG A 73 4.980 -8.857 -1.195 1.00 0.00 C ATOM 1200 O ARG A 73 4.538 -9.897 -0.711 1.00 0.00 O ATOM 1201 CB ARG A 73 6.164 -10.016 -3.099 1.00 0.00 C ATOM 1202 CG ARG A 73 5.218 -9.612 -4.237 1.00 0.00 C ATOM 1203 CD ARG A 73 4.939 -10.802 -5.160 1.00 0.00 C ATOM 1204 NE ARG A 73 3.823 -11.601 -4.638 1.00 0.00 N ATOM 1205 CZ ARG A 73 3.514 -12.857 -4.982 1.00 0.00 C ATOM 1206 NH1 ARG A 73 4.322 -13.578 -5.767 1.00 0.00 N ATOM 1207 NH2 ARG A 73 2.366 -13.372 -4.534 1.00 0.00 N ATOM 0 H ARG A 73 7.702 -10.079 -1.154 1.00 0.00 H new ATOM 0 HA ARG A 73 6.359 -7.967 -2.597 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.159 -10.216 -3.497 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.814 -10.939 -2.636 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.281 -9.240 -3.822 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.659 -8.797 -4.810 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.702 -10.446 -6.163 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.831 -11.422 -5.244 1.00 0.00 H new ATOM 0 HE ARG A 73 3.224 -11.154 -3.944 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.191 -13.172 -6.114 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.069 -14.534 -6.018 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.750 -12.811 -3.946 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.105 -14.327 -4.780 1.00 0.00 H new ATOM 1221 N ALA A 74 4.431 -7.668 -0.952 1.00 0.00 N ATOM 1222 CA ALA A 74 3.263 -7.528 -0.112 1.00 0.00 C ATOM 1223 C ALA A 74 2.033 -7.318 -0.988 1.00 0.00 C ATOM 1224 O ALA A 74 1.988 -6.377 -1.773 1.00 0.00 O ATOM 1225 CB ALA A 74 3.494 -6.410 0.903 1.00 0.00 C ATOM 0 H ALA A 74 4.785 -6.790 -1.331 1.00 0.00 H new ATOM 0 HA ALA A 74 3.084 -8.435 0.465 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.613 -6.305 1.536 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.358 -6.653 1.521 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.676 -5.473 0.377 1.00 0.00 H new ATOM 1231 N ASP A 75 1.047 -8.210 -0.872 1.00 0.00 N ATOM 1232 CA ASP A 75 -0.171 -8.168 -1.659 1.00 0.00 C ATOM 1233 C ASP A 75 -1.308 -7.987 -0.663 1.00 0.00 C ATOM 1234 O ASP A 75 -1.568 -8.915 0.089 1.00 0.00 O ATOM 1235 CB ASP A 75 -0.334 -9.491 -2.433 1.00 0.00 C ATOM 1236 CG ASP A 75 0.880 -9.864 -3.281 1.00 0.00 C ATOM 1237 OD1 ASP A 75 1.559 -8.934 -3.768 1.00 0.00 O ATOM 1238 OD2 ASP A 75 1.118 -11.084 -3.431 1.00 0.00 O ATOM 0 H ASP A 75 1.080 -8.991 -0.217 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.157 -7.359 -2.390 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -0.530 -10.294 -1.723 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.208 -9.417 -3.080 1.00 0.00 H new ATOM 1243 N ILE A 76 -1.970 -6.830 -0.590 1.00 0.00 N ATOM 1244 CA ILE A 76 -3.216 -6.754 0.181 1.00 0.00 C ATOM 1245 C ILE A 76 -4.329 -7.172 -0.757 1.00 0.00 C ATOM 1246 O ILE A 76 -4.226 -6.909 -1.951 1.00 0.00 O ATOM 1247 CB ILE A 76 -3.438 -5.360 0.803 1.00 0.00 C ATOM 1248 CG1 ILE A 76 -2.893 -5.354 2.237 1.00 0.00 C ATOM 1249 CG2 ILE A 76 -4.919 -4.966 0.934 1.00 0.00 C ATOM 1250 CD1 ILE A 76 -1.457 -5.849 2.338 1.00 0.00 C ATOM 0 H ILE A 76 -1.679 -5.961 -1.037 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.182 -7.422 1.041 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.935 -4.662 0.134 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.950 -4.341 2.635 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.530 -5.979 2.863 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.994 -3.974 1.379 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.382 -4.956 -0.053 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -5.433 -5.688 1.569 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.134 -5.819 3.379 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.398 -6.873 1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.809 -5.210 1.738 1.00 0.00 H new ATOM 1262 N SER A 77 -5.374 -7.801 -0.211 1.00 0.00 N ATOM 1263 CA SER A 77 -6.612 -8.104 -0.903 1.00 0.00 C ATOM 1264 C SER A 77 -7.743 -7.392 -0.164 1.00 0.00 C ATOM 1265 O SER A 77 -7.682 -7.279 1.060 1.00 0.00 O ATOM 1266 CB SER A 77 -6.842 -9.618 -0.942 1.00 0.00 C ATOM 1267 OG SER A 77 -7.524 -10.005 -2.123 1.00 0.00 O ATOM 0 H SER A 77 -5.373 -8.120 0.758 1.00 0.00 H new ATOM 0 HA SER A 77 -6.571 -7.758 -1.936 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.884 -10.135 -0.887 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.420 -9.923 -0.069 1.00 0.00 H new ATOM 0 HG SER A 77 -7.656 -10.976 -2.121 1.00 0.00 H new ATOM 1273 N GLU A 78 -8.767 -6.936 -0.888 1.00 0.00 N ATOM 1274 CA GLU A 78 -9.973 -6.362 -0.333 1.00 0.00 C ATOM 1275 C GLU A 78 -11.158 -7.282 -0.589 1.00 0.00 C ATOM 1276 O GLU A 78 -11.113 -8.132 -1.475 1.00 0.00 O ATOM 1277 CB GLU A 78 -10.244 -4.992 -0.961 1.00 0.00 C ATOM 1278 CG GLU A 78 -9.132 -3.989 -0.645 1.00 0.00 C ATOM 1279 CD GLU A 78 -9.656 -2.555 -0.672 1.00 0.00 C ATOM 1280 OE1 GLU A 78 -9.959 -2.086 -1.791 1.00 0.00 O ATOM 1281 OE2 GLU A 78 -9.723 -1.940 0.414 1.00 0.00 O ATOM 0 H GLU A 78 -8.770 -6.961 -1.908 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.837 -6.243 0.742 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.339 -5.100 -2.041 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -11.195 -4.607 -0.595 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.711 -4.206 0.337 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.325 -4.097 -1.369 1.00 0.00 H new ATOM 1288 N ASP A 79 -12.229 -7.069 0.176 1.00 0.00 N ATOM 1289 CA ASP A 79 -13.498 -7.757 -0.008 1.00 0.00 C ATOM 1290 C ASP A 79 -14.319 -7.046 -1.088 1.00 0.00 C ATOM 1291 O ASP A 79 -14.816 -5.942 -0.845 1.00 0.00 O ATOM 1292 CB ASP A 79 -14.260 -7.793 1.326 1.00 0.00 C ATOM 1293 CG ASP A 79 -15.508 -8.673 1.273 1.00 0.00 C ATOM 1294 OD1 ASP A 79 -15.992 -8.945 0.152 1.00 0.00 O ATOM 1295 OD2 ASP A 79 -15.965 -9.055 2.373 1.00 0.00 O ATOM 0 H ASP A 79 -12.235 -6.404 0.950 1.00 0.00 H new ATOM 0 HA ASP A 79 -13.319 -8.782 -0.333 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.596 -8.160 2.109 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -14.548 -6.779 1.602 1.00 0.00 H new ATOM 1300 N TYR A 80 -14.500 -7.706 -2.240 1.00 0.00 N ATOM 1301 CA TYR A 80 -15.412 -7.322 -3.319 1.00 0.00 C ATOM 1302 C TYR A 80 -16.706 -6.672 -2.825 1.00 0.00 C ATOM 1303 O TYR A 80 -17.173 -5.707 -3.422 1.00 0.00 O ATOM 1304 CB TYR A 80 -15.762 -8.571 -4.143 1.00 0.00 C ATOM 1305 CG TYR A 80 -16.820 -8.394 -5.219 1.00 0.00 C ATOM 1306 CD1 TYR A 80 -16.822 -7.254 -6.048 1.00 0.00 C ATOM 1307 CD2 TYR A 80 -17.771 -9.410 -5.436 1.00 0.00 C ATOM 1308 CE1 TYR A 80 -17.804 -7.105 -7.041 1.00 0.00 C ATOM 1309 CE2 TYR A 80 -18.745 -9.265 -6.437 1.00 0.00 C ATOM 1310 CZ TYR A 80 -18.766 -8.109 -7.235 1.00 0.00 C ATOM 1311 OH TYR A 80 -19.709 -7.962 -8.207 1.00 0.00 O ATOM 0 H TYR A 80 -13.989 -8.563 -2.452 1.00 0.00 H new ATOM 0 HA TYR A 80 -14.894 -6.575 -3.921 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -14.850 -8.935 -4.617 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -16.098 -9.350 -3.458 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -16.066 -6.493 -5.919 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -17.751 -10.304 -4.830 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -17.819 -6.217 -7.656 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -19.478 -10.042 -6.593 1.00 0.00 H new ATOM 0 HH TYR A 80 -20.299 -8.745 -8.212 1.00 0.00 H new ATOM 1321 N LYS A 81 -17.289 -7.209 -1.750 1.00 0.00 N ATOM 1322 CA LYS A 81 -18.544 -6.740 -1.184 1.00 0.00 C ATOM 1323 C LYS A 81 -18.587 -5.217 -1.013 1.00 0.00 C ATOM 1324 O LYS A 81 -19.667 -4.632 -1.057 1.00 0.00 O ATOM 1325 CB LYS A 81 -18.738 -7.422 0.180 1.00 0.00 C ATOM 1326 CG LYS A 81 -20.122 -7.229 0.823 1.00 0.00 C ATOM 1327 CD LYS A 81 -21.232 -7.887 -0.007 1.00 0.00 C ATOM 1328 CE LYS A 81 -22.556 -7.908 0.766 1.00 0.00 C ATOM 1329 NZ LYS A 81 -23.606 -8.613 0.009 1.00 0.00 N ATOM 0 H LYS A 81 -16.889 -7.998 -1.243 1.00 0.00 H new ATOM 0 HA LYS A 81 -19.347 -6.997 -1.875 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -18.557 -8.490 0.062 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -17.981 -7.044 0.867 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -20.119 -7.653 1.827 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -20.329 -6.164 0.928 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -21.362 -7.344 -0.943 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -20.942 -8.905 -0.267 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -22.409 -8.396 1.730 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -22.876 -6.887 0.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -24.490 -8.611 0.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -23.761 -8.132 -0.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -23.309 -9.594 -0.165 1.00 0.00 H new ATOM 1343 N THR A 82 -17.441 -4.583 -0.739 1.00 0.00 N ATOM 1344 CA THR A 82 -17.342 -3.206 -0.304 1.00 0.00 C ATOM 1345 C THR A 82 -15.886 -2.735 -0.489 1.00 0.00 C ATOM 1346 O THR A 82 -15.569 -2.163 -1.527 1.00 0.00 O ATOM 1347 CB THR A 82 -17.885 -3.138 1.137 1.00 0.00 C ATOM 1348 OG1 THR A 82 -19.298 -3.092 1.146 1.00 0.00 O ATOM 1349 CG2 THR A 82 -17.416 -1.908 1.891 1.00 0.00 C ATOM 0 H THR A 82 -16.533 -5.040 -0.820 1.00 0.00 H new ATOM 0 HA THR A 82 -17.944 -2.515 -0.895 1.00 0.00 H new ATOM 0 HB THR A 82 -17.505 -4.037 1.622 1.00 0.00 H new ATOM 0 HG1 THR A 82 -19.643 -3.486 0.318 1.00 0.00 H new ATOM 0 HG21 THR A 82 -17.832 -1.918 2.898 1.00 0.00 H new ATOM 0 HG22 THR A 82 -16.327 -1.909 1.948 1.00 0.00 H new ATOM 0 HG23 THR A 82 -17.751 -1.012 1.369 1.00 0.00 H new ATOM 1357 N ARG A 83 -15.007 -2.967 0.496 1.00 0.00 N ATOM 1358 CA ARG A 83 -13.609 -2.523 0.522 1.00 0.00 C ATOM 1359 C ARG A 83 -12.947 -2.952 1.841 1.00 0.00 C ATOM 1360 O ARG A 83 -12.311 -2.151 2.533 1.00 0.00 O ATOM 1361 CB ARG A 83 -13.451 -1.005 0.294 1.00 0.00 C ATOM 1362 CG ARG A 83 -14.201 -0.132 1.319 1.00 0.00 C ATOM 1363 CD ARG A 83 -13.335 1.016 1.873 1.00 0.00 C ATOM 1364 NE ARG A 83 -13.963 2.330 1.682 1.00 0.00 N ATOM 1365 CZ ARG A 83 -13.436 3.484 2.116 1.00 0.00 C ATOM 1366 NH1 ARG A 83 -12.263 3.491 2.760 1.00 0.00 N ATOM 1367 NH2 ARG A 83 -14.084 4.632 1.897 1.00 0.00 N ATOM 0 H ARG A 83 -15.264 -3.492 1.332 1.00 0.00 H new ATOM 0 HA ARG A 83 -13.103 -3.007 -0.313 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -12.391 -0.753 0.325 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.808 -0.760 -0.706 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -15.093 0.285 0.851 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -14.538 -0.758 2.145 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -13.156 0.853 2.936 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.363 1.005 1.380 1.00 0.00 H new ATOM 0 HE ARG A 83 -14.855 2.367 1.189 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -11.765 2.616 2.923 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.867 4.372 3.088 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -14.976 4.628 1.402 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -13.687 5.512 2.225 1.00 0.00 H new ATOM 1381 N GLY A 84 -13.120 -4.230 2.196 1.00 0.00 N ATOM 1382 CA GLY A 84 -12.434 -4.824 3.337 1.00 0.00 C ATOM 1383 C GLY A 84 -10.925 -4.825 3.103 1.00 0.00 C ATOM 1384 O GLY A 84 -10.474 -4.379 2.054 1.00 0.00 O ATOM 0 H GLY A 84 -13.737 -4.874 1.701 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.668 -4.265 4.243 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.786 -5.844 3.492 1.00 0.00 H new ATOM 1388 N ARG A 85 -10.136 -5.333 4.053 1.00 0.00 N ATOM 1389 CA ARG A 85 -8.684 -5.335 3.918 1.00 0.00 C ATOM 1390 C ARG A 85 -8.101 -6.552 4.629 1.00 0.00 C ATOM 1391 O ARG A 85 -8.074 -6.589 5.858 1.00 0.00 O ATOM 1392 CB ARG A 85 -8.130 -4.001 4.456 1.00 0.00 C ATOM 1393 CG ARG A 85 -7.133 -3.353 3.483 1.00 0.00 C ATOM 1394 CD ARG A 85 -7.145 -1.828 3.633 1.00 0.00 C ATOM 1395 NE ARG A 85 -8.454 -1.307 3.212 1.00 0.00 N ATOM 1396 CZ ARG A 85 -9.098 -0.287 3.789 1.00 0.00 C ATOM 1397 NH1 ARG A 85 -8.420 0.648 4.470 1.00 0.00 N ATOM 1398 NH2 ARG A 85 -10.432 -0.228 3.683 1.00 0.00 N ATOM 0 H ARG A 85 -10.480 -5.746 4.920 1.00 0.00 H new ATOM 0 HA ARG A 85 -8.391 -5.414 2.871 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -8.956 -3.314 4.639 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.640 -4.173 5.415 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.130 -3.735 3.674 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.388 -3.625 2.459 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.947 -1.552 4.669 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -6.353 -1.386 3.028 1.00 0.00 H new ATOM 0 HE ARG A 85 -8.906 -1.759 2.417 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.405 0.585 4.551 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -8.919 1.423 4.907 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -10.935 -0.952 3.170 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -10.944 0.541 4.115 1.00 0.00 H new ATOM 1412 N LYS A 86 -7.666 -7.555 3.862 1.00 0.00 N ATOM 1413 CA LYS A 86 -7.049 -8.763 4.382 1.00 0.00 C ATOM 1414 C LYS A 86 -5.535 -8.701 4.222 1.00 0.00 C ATOM 1415 O LYS A 86 -5.012 -8.349 3.160 1.00 0.00 O ATOM 1416 CB LYS A 86 -7.629 -10.005 3.703 1.00 0.00 C ATOM 1417 CG LYS A 86 -9.067 -10.315 4.139 1.00 0.00 C ATOM 1418 CD LYS A 86 -9.190 -10.794 5.599 1.00 0.00 C ATOM 1419 CE LYS A 86 -9.289 -9.661 6.640 1.00 0.00 C ATOM 1420 NZ LYS A 86 -10.343 -9.943 7.632 1.00 0.00 N ATOM 0 H LYS A 86 -7.737 -7.543 2.845 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.272 -8.834 5.447 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.606 -9.865 2.622 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.995 -10.863 3.927 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.676 -9.421 4.008 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.479 -11.080 3.481 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.072 -11.428 5.686 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.326 -11.415 5.838 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.331 -9.543 7.146 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.502 -8.718 6.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.389 -9.165 8.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.260 -10.032 7.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.125 -10.831 8.127 1.00 0.00 H new ATOM 1434 N LEU A 87 -4.844 -9.063 5.303 1.00 0.00 N ATOM 1435 CA LEU A 87 -3.400 -9.108 5.360 1.00 0.00 C ATOM 1436 C LEU A 87 -2.935 -10.330 4.567 1.00 0.00 C ATOM 1437 O LEU A 87 -2.857 -11.432 5.102 1.00 0.00 O ATOM 1438 CB LEU A 87 -3.004 -9.173 6.849 1.00 0.00 C ATOM 1439 CG LEU A 87 -1.523 -8.885 7.139 1.00 0.00 C ATOM 1440 CD1 LEU A 87 -1.322 -8.703 8.642 1.00 0.00 C ATOM 1441 CD2 LEU A 87 -0.583 -10.003 6.667 1.00 0.00 C ATOM 0 H LEU A 87 -5.291 -9.337 6.178 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.926 -8.231 4.919 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.613 -8.459 7.403 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.248 -10.164 7.232 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.273 -7.980 6.585 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.271 -8.499 8.846 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.929 -7.868 8.992 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.623 -9.613 9.162 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.447 -9.736 6.902 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.841 -10.933 7.173 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.687 -10.135 5.590 1.00 0.00 H new ATOM 1453 N LEU A 88 -2.569 -10.103 3.304 1.00 0.00 N ATOM 1454 CA LEU A 88 -1.873 -11.057 2.442 1.00 0.00 C ATOM 1455 C LEU A 88 -0.440 -10.543 2.169 1.00 0.00 C ATOM 1456 O LEU A 88 0.275 -11.072 1.318 1.00 0.00 O ATOM 1457 CB LEU A 88 -2.702 -11.301 1.161 1.00 0.00 C ATOM 1458 CG LEU A 88 -3.771 -12.407 1.211 1.00 0.00 C ATOM 1459 CD1 LEU A 88 -3.161 -13.807 1.351 1.00 0.00 C ATOM 1460 CD2 LEU A 88 -4.835 -12.166 2.286 1.00 0.00 C ATOM 0 H LEU A 88 -2.757 -9.216 2.837 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.772 -12.027 2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.196 -10.366 0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.011 -11.537 0.352 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.276 -12.360 0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.958 -14.550 1.382 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.511 -14.007 0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.580 -13.860 2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.559 -12.980 2.270 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.359 -12.123 3.266 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.345 -11.223 2.088 1.00 0.00 H new ATOM 1472 N ARG A 89 -0.015 -9.486 2.880 1.00 0.00 N ATOM 1473 CA ARG A 89 1.308 -8.893 2.760 1.00 0.00 C ATOM 1474 C ARG A 89 2.445 -9.809 3.222 1.00 0.00 C ATOM 1475 O ARG A 89 2.234 -10.817 3.889 1.00 0.00 O ATOM 1476 CB ARG A 89 1.399 -7.522 3.454 1.00 0.00 C ATOM 1477 CG ARG A 89 0.790 -7.444 4.851 1.00 0.00 C ATOM 1478 CD ARG A 89 1.078 -6.090 5.517 1.00 0.00 C ATOM 1479 NE ARG A 89 0.608 -4.942 4.718 1.00 0.00 N ATOM 1480 CZ ARG A 89 1.298 -4.275 3.782 1.00 0.00 C ATOM 1481 NH1 ARG A 89 2.565 -4.591 3.494 1.00 0.00 N ATOM 1482 NH2 ARG A 89 0.702 -3.263 3.147 1.00 0.00 N ATOM 0 H ARG A 89 -0.603 -9.016 3.568 1.00 0.00 H new ATOM 0 HA ARG A 89 1.446 -8.745 1.689 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.449 -7.238 3.519 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.908 -6.782 2.822 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.287 -7.598 4.788 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.191 -8.247 5.469 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.600 -6.064 6.496 1.00 0.00 H new ATOM 0 HD3 ARG A 89 2.151 -5.994 5.684 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.344 -4.622 4.897 1.00 0.00 H new ATOM 0 HH11 ARG A 89 3.026 -5.354 3.990 1.00 0.00 H new ATOM 0 HH12 ARG A 89 3.070 -4.070 2.778 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.259 -3.011 3.378 1.00 0.00 H new ATOM 0 HH22 ARG A 89 1.208 -2.741 2.431 1.00 0.00 H new ATOM 1496 N PHE A 90 3.667 -9.377 2.896 1.00 0.00 N ATOM 1497 CA PHE A 90 4.937 -9.943 3.305 1.00 0.00 C ATOM 1498 C PHE A 90 5.099 -11.381 2.809 1.00 0.00 C ATOM 1499 O PHE A 90 5.321 -12.299 3.594 1.00 0.00 O ATOM 1500 CB PHE A 90 5.165 -9.747 4.808 1.00 0.00 C ATOM 1501 CG PHE A 90 5.738 -8.386 5.156 1.00 0.00 C ATOM 1502 CD1 PHE A 90 7.116 -8.145 5.019 1.00 0.00 C ATOM 1503 CD2 PHE A 90 4.886 -7.330 5.513 1.00 0.00 C ATOM 1504 CE1 PHE A 90 7.612 -6.831 5.079 1.00 0.00 C ATOM 1505 CE2 PHE A 90 5.392 -6.024 5.639 1.00 0.00 C ATOM 1506 CZ PHE A 90 6.742 -5.761 5.350 1.00 0.00 C ATOM 0 H PHE A 90 3.793 -8.563 2.295 1.00 0.00 H new ATOM 0 HA PHE A 90 5.744 -9.395 2.819 1.00 0.00 H new ATOM 0 HB2 PHE A 90 4.219 -9.880 5.332 1.00 0.00 H new ATOM 0 HB3 PHE A 90 5.841 -10.521 5.170 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.795 -8.971 4.867 1.00 0.00 H new ATOM 0 HD2 PHE A 90 3.838 -7.521 5.692 1.00 0.00 H new ATOM 0 HE1 PHE A 90 8.663 -6.643 4.917 1.00 0.00 H new ATOM 0 HE2 PHE A 90 4.743 -5.222 5.958 1.00 0.00 H new ATOM 0 HZ PHE A 90 7.108 -4.745 5.336 1.00 0.00 H new ATOM 1516 N ASN A 91 5.033 -11.553 1.485 1.00 0.00 N ATOM 1517 CA ASN A 91 5.230 -12.825 0.807 1.00 0.00 C ATOM 1518 C ASN A 91 6.568 -12.818 0.058 1.00 0.00 C ATOM 1519 O ASN A 91 7.215 -11.776 -0.085 1.00 0.00 O ATOM 1520 CB ASN A 91 4.045 -13.084 -0.132 1.00 0.00 C ATOM 1521 CG ASN A 91 3.833 -14.574 -0.382 1.00 0.00 C ATOM 1522 OD1 ASN A 91 3.165 -15.248 0.392 1.00 0.00 O ATOM 1523 ND2 ASN A 91 4.411 -15.119 -1.449 1.00 0.00 N ATOM 0 H ASN A 91 4.835 -10.786 0.843 1.00 0.00 H new ATOM 0 HA ASN A 91 5.270 -13.637 1.533 1.00 0.00 H new ATOM 0 HB2 ASN A 91 3.140 -12.656 0.299 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.217 -12.577 -1.082 1.00 0.00 H new ATOM 0 HD21 ASN A 91 4.302 -16.116 -1.635 1.00 0.00 H new ATOM 0 HD22 ASN A 91 4.963 -14.540 -2.081 1.00 0.00 H new ATOM 1530 N GLY A 92 6.985 -13.995 -0.416 1.00 0.00 N ATOM 1531 CA GLY A 92 8.272 -14.238 -1.047 1.00 0.00 C ATOM 1532 C GLY A 92 9.120 -15.088 -0.099 1.00 0.00 C ATOM 1533 O GLY A 92 8.747 -16.235 0.140 1.00 0.00 O ATOM 0 H GLY A 92 6.407 -14.834 -0.366 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.137 -14.751 -1.999 1.00 0.00 H new ATOM 0 HA3 GLY A 92 8.773 -13.294 -1.262 1.00 0.00 H new ATOM 1537 N PRO A 93 10.219 -14.570 0.477 1.00 0.00 N ATOM 1538 CA PRO A 93 10.779 -13.246 0.249 1.00 0.00 C ATOM 1539 C PRO A 93 11.364 -13.156 -1.163 1.00 0.00 C ATOM 1540 O PRO A 93 11.450 -14.161 -1.867 1.00 0.00 O ATOM 1541 CB PRO A 93 11.866 -13.087 1.317 1.00 0.00 C ATOM 1542 CG PRO A 93 12.354 -14.521 1.522 1.00 0.00 C ATOM 1543 CD PRO A 93 11.071 -15.338 1.370 1.00 0.00 C ATOM 0 HA PRO A 93 10.032 -12.456 0.321 1.00 0.00 H new ATOM 0 HB2 PRO A 93 12.669 -12.431 0.982 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.469 -12.660 2.238 1.00 0.00 H new ATOM 0 HG2 PRO A 93 13.104 -14.803 0.783 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.807 -14.658 2.504 1.00 0.00 H new ATOM 0 HD2 PRO A 93 11.282 -16.325 0.958 1.00 0.00 H new ATOM 0 HD3 PRO A 93 10.588 -15.492 2.335 1.00 0.00 H new ATOM 1551 N VAL A 94 11.731 -11.945 -1.584 1.00 0.00 N ATOM 1552 CA VAL A 94 12.226 -11.656 -2.921 1.00 0.00 C ATOM 1553 C VAL A 94 13.671 -11.148 -2.819 1.00 0.00 C ATOM 1554 O VAL A 94 13.958 -10.273 -1.998 1.00 0.00 O ATOM 1555 CB VAL A 94 11.261 -10.665 -3.599 1.00 0.00 C ATOM 1556 CG1 VAL A 94 11.859 -9.930 -4.806 1.00 0.00 C ATOM 1557 CG2 VAL A 94 10.013 -11.447 -4.025 1.00 0.00 C ATOM 0 H VAL A 94 11.689 -11.120 -0.986 1.00 0.00 H new ATOM 0 HA VAL A 94 12.255 -12.547 -3.548 1.00 0.00 H new ATOM 0 HB VAL A 94 11.027 -9.884 -2.876 1.00 0.00 H new ATOM 0 HG11 VAL A 94 11.115 -9.252 -5.225 1.00 0.00 H new ATOM 0 HG12 VAL A 94 12.732 -9.359 -4.489 1.00 0.00 H new ATOM 0 HG13 VAL A 94 12.156 -10.656 -5.563 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.308 -10.771 -4.510 1.00 0.00 H new ATOM 0 HG22 VAL A 94 10.298 -12.235 -4.722 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.544 -11.891 -3.147 1.00 0.00 H new ATOM 1567 N PRO A 95 14.598 -11.703 -3.621 1.00 0.00 N ATOM 1568 CA PRO A 95 15.987 -11.279 -3.612 1.00 0.00 C ATOM 1569 C PRO A 95 16.104 -9.863 -4.189 1.00 0.00 C ATOM 1570 O PRO A 95 15.220 -9.419 -4.921 1.00 0.00 O ATOM 1571 CB PRO A 95 16.730 -12.312 -4.469 1.00 0.00 C ATOM 1572 CG PRO A 95 15.664 -12.778 -5.458 1.00 0.00 C ATOM 1573 CD PRO A 95 14.387 -12.742 -4.622 1.00 0.00 C ATOM 0 HA PRO A 95 16.409 -11.234 -2.608 1.00 0.00 H new ATOM 0 HB2 PRO A 95 17.587 -11.871 -4.979 1.00 0.00 H new ATOM 0 HB3 PRO A 95 17.108 -13.138 -3.866 1.00 0.00 H new ATOM 0 HG2 PRO A 95 15.599 -12.118 -6.323 1.00 0.00 H new ATOM 0 HG3 PRO A 95 15.872 -13.779 -5.835 1.00 0.00 H new ATOM 0 HD2 PRO A 95 13.519 -12.517 -5.242 1.00 0.00 H new ATOM 0 HD3 PRO A 95 14.200 -13.707 -4.151 1.00 0.00 H new ATOM 1581 N PRO A 96 17.185 -9.138 -3.872 1.00 0.00 N ATOM 1582 CA PRO A 96 17.412 -7.809 -4.411 1.00 0.00 C ATOM 1583 C PRO A 96 17.627 -7.877 -5.930 1.00 0.00 C ATOM 1584 O PRO A 96 18.098 -8.894 -6.439 1.00 0.00 O ATOM 1585 CB PRO A 96 18.647 -7.282 -3.675 1.00 0.00 C ATOM 1586 CG PRO A 96 19.410 -8.557 -3.313 1.00 0.00 C ATOM 1587 CD PRO A 96 18.290 -9.556 -3.026 1.00 0.00 C ATOM 0 HA PRO A 96 16.560 -7.145 -4.263 1.00 0.00 H new ATOM 0 HB2 PRO A 96 19.242 -6.623 -4.308 1.00 0.00 H new ATOM 0 HB3 PRO A 96 18.374 -6.711 -2.788 1.00 0.00 H new ATOM 0 HG2 PRO A 96 20.049 -8.891 -4.130 1.00 0.00 H new ATOM 0 HG3 PRO A 96 20.053 -8.410 -2.445 1.00 0.00 H new ATOM 0 HD2 PRO A 96 18.601 -10.575 -3.258 1.00 0.00 H new ATOM 0 HD3 PRO A 96 18.008 -9.541 -1.973 1.00 0.00 H new ATOM 1595 N PRO A 97 17.293 -6.805 -6.667 1.00 0.00 N ATOM 1596 CA PRO A 97 17.484 -6.746 -8.108 1.00 0.00 C ATOM 1597 C PRO A 97 18.974 -6.724 -8.462 1.00 0.00 C ATOM 1598 O PRO A 97 19.296 -7.201 -9.571 1.00 0.00 O ATOM 1599 CB PRO A 97 16.774 -5.462 -8.552 1.00 0.00 C ATOM 1600 CG PRO A 97 16.885 -4.559 -7.323 1.00 0.00 C ATOM 1601 CD PRO A 97 16.755 -5.551 -6.167 1.00 0.00 C ATOM 1602 OXT PRO A 97 19.761 -6.209 -7.636 1.00 0.00 O ATOM 0 HA PRO A 97 17.076 -7.621 -8.614 1.00 0.00 H new ATOM 0 HB2 PRO A 97 17.254 -5.017 -9.423 1.00 0.00 H new ATOM 0 HB3 PRO A 97 15.735 -5.649 -8.822 1.00 0.00 H new ATOM 0 HG2 PRO A 97 17.836 -4.027 -7.296 1.00 0.00 H new ATOM 0 HG3 PRO A 97 16.098 -3.806 -7.301 1.00 0.00 H new ATOM 0 HD2 PRO A 97 17.308 -5.208 -5.292 1.00 0.00 H new ATOM 0 HD3 PRO A 97 15.715 -5.664 -5.863 1.00 0.00 H new TER 1610 PRO A 97