USER MOD reduce.3.24.130724 H: found=0, std=0, add=940, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 938 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 70 LYS NZ :NH3+ 143:sc= 0.328 (180deg=0) USER MOD Set 1.2: A 92 SER OG : rot 180:sc= 0.0116 USER MOD Set 1.3: A 96 GLN : amide:sc= -1.29 K(o=-0.95,f=-1.5) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0137 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0892 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= -2.25 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -78:sc= -7.99! USER MOD Single : A 35 ASN : amide:sc= -0.269 X(o=-0.27,f=-0.058) USER MOD Single : A 37 ASN : amide:sc= -4.35 K(o=-4.3,f=-0.94) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -119:sc= -2.91! (180deg=-5.79!) USER MOD Single : A 47 THR OG1 : rot 72:sc= 0.0135 USER MOD Single : A 53 SER OG : rot -64:sc= -5.79! USER MOD Single : A 57 MET CE :methyl -145:sc= -0.11 (180deg=-0.387) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -5.41! C(o=-5.4!,f=-14!) USER MOD Single : A 71 GLN : amide:sc= -1.25 K(o=-1.3,f=0.028) USER MOD Single : A 73 HIS : no HE2:sc= -18.9! C(o=-19!,f=-26!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -141:sc= -0.0737 (180deg=-1.46) USER MOD Single : A 82 THR OG1 : rot 161:sc= -0.827 USER MOD Single : A 84 HIS : no HD1:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.605 X(o=-0.6,f=-0.6) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.019) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= -0.116 K(o=-0.12,f=-0.97) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0.0279 X(o=0.028,f=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ARG A 3 -9.704 -12.421 -10.899 1.00 0.00 N ATOM 38 CA ARG A 3 -8.552 -13.025 -11.626 1.00 0.00 C ATOM 39 C ARG A 3 -7.375 -12.056 -11.630 1.00 0.00 C ATOM 40 O ARG A 3 -6.774 -11.792 -12.652 1.00 0.00 O ATOM 41 CB ARG A 3 -8.960 -13.353 -13.066 1.00 0.00 C ATOM 42 CG ARG A 3 -9.746 -14.665 -13.087 1.00 0.00 C ATOM 43 CD ARG A 3 -9.434 -15.434 -14.373 1.00 0.00 C ATOM 44 NE ARG A 3 -9.259 -14.473 -15.499 1.00 0.00 N ATOM 45 CZ ARG A 3 -10.226 -14.289 -16.355 1.00 0.00 C ATOM 46 NH1 ARG A 3 -10.433 -15.162 -17.303 1.00 0.00 N ATOM 47 NH2 ARG A 3 -10.985 -13.232 -16.265 1.00 0.00 N ATOM 0 HA ARG A 3 -8.255 -13.944 -11.121 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -9.567 -12.546 -13.476 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -8.075 -13.437 -13.696 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -9.486 -15.270 -12.218 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -10.815 -14.461 -13.025 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -8.529 -16.027 -14.244 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -10.242 -16.130 -14.598 1.00 0.00 H new ATOM 0 HE ARG A 3 -8.384 -13.960 -15.600 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -9.839 -15.988 -17.374 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -11.189 -15.018 -17.972 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -10.822 -12.549 -15.525 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -11.741 -13.088 -16.935 1.00 0.00 H new ATOM 61 N GLY A 4 -7.037 -11.535 -10.488 1.00 0.00 N ATOM 62 CA GLY A 4 -5.884 -10.588 -10.413 1.00 0.00 C ATOM 63 C GLY A 4 -6.101 -9.573 -9.288 1.00 0.00 C ATOM 64 O GLY A 4 -6.972 -8.729 -9.362 1.00 0.00 O ATOM 0 H GLY A 4 -7.506 -11.721 -9.601 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.961 -11.141 -10.239 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.770 -10.068 -11.364 1.00 0.00 H new ATOM 68 N ILE A 5 -5.304 -9.638 -8.251 1.00 0.00 N ATOM 69 CA ILE A 5 -5.456 -8.665 -7.130 1.00 0.00 C ATOM 70 C ILE A 5 -4.567 -7.451 -7.404 1.00 0.00 C ATOM 71 O ILE A 5 -3.356 -7.539 -7.380 1.00 0.00 O ATOM 72 CB ILE A 5 -5.039 -9.302 -5.795 1.00 0.00 C ATOM 73 CG1 ILE A 5 -4.935 -10.825 -5.943 1.00 0.00 C ATOM 74 CG2 ILE A 5 -6.083 -8.962 -4.729 1.00 0.00 C ATOM 75 CD1 ILE A 5 -4.887 -11.481 -4.560 1.00 0.00 C ATOM 0 H ILE A 5 -4.556 -10.322 -8.134 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.502 -8.366 -7.062 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.066 -8.910 -5.500 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.789 -11.204 -6.505 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.040 -11.084 -6.509 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.793 -9.411 -3.779 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -6.147 -7.880 -4.614 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.054 -9.352 -5.033 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.813 -12.563 -4.673 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.019 -11.113 -4.013 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.795 -11.235 -4.009 1.00 0.00 H new ATOM 87 N VAL A 6 -5.153 -6.319 -7.670 1.00 0.00 N ATOM 88 CA VAL A 6 -4.333 -5.108 -7.951 1.00 0.00 C ATOM 89 C VAL A 6 -4.356 -4.180 -6.734 1.00 0.00 C ATOM 90 O VAL A 6 -5.346 -3.527 -6.463 1.00 0.00 O ATOM 91 CB VAL A 6 -4.920 -4.372 -9.159 1.00 0.00 C ATOM 92 CG1 VAL A 6 -4.232 -3.013 -9.332 1.00 0.00 C ATOM 93 CG2 VAL A 6 -4.703 -5.211 -10.418 1.00 0.00 C ATOM 0 H VAL A 6 -6.163 -6.179 -7.705 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.306 -5.404 -8.162 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.986 -4.215 -8.997 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.656 -2.497 -10.194 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.386 -2.411 -8.437 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.164 -3.163 -9.489 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -5.120 -4.689 -11.279 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.635 -5.368 -10.571 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.199 -6.175 -10.303 1.00 0.00 H new ATOM 103 N TRP A 7 -3.274 -4.095 -6.008 1.00 0.00 N ATOM 104 CA TRP A 7 -3.258 -3.183 -4.831 1.00 0.00 C ATOM 105 C TRP A 7 -2.578 -1.878 -5.237 1.00 0.00 C ATOM 106 O TRP A 7 -1.369 -1.754 -5.204 1.00 0.00 O ATOM 107 CB TRP A 7 -2.513 -3.823 -3.660 1.00 0.00 C ATOM 108 CG TRP A 7 -3.464 -3.966 -2.515 1.00 0.00 C ATOM 109 CD1 TRP A 7 -4.324 -3.010 -2.097 1.00 0.00 C ATOM 110 CD2 TRP A 7 -3.675 -5.113 -1.645 1.00 0.00 C ATOM 111 NE1 TRP A 7 -5.052 -3.499 -1.029 1.00 0.00 N ATOM 112 CE2 TRP A 7 -4.690 -4.793 -0.713 1.00 0.00 C ATOM 113 CE3 TRP A 7 -3.092 -6.386 -1.579 1.00 0.00 C ATOM 114 CZ2 TRP A 7 -5.111 -5.708 0.251 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -3.512 -7.312 -0.611 1.00 0.00 C ATOM 116 CH2 TRP A 7 -4.521 -6.973 0.302 1.00 0.00 C ATOM 0 H TRP A 7 -2.411 -4.611 -6.177 1.00 0.00 H new ATOM 0 HA TRP A 7 -4.281 -2.987 -4.509 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -2.118 -4.797 -3.949 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -1.661 -3.207 -3.371 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -4.425 -2.025 -2.528 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -5.769 -2.968 -0.535 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -2.314 -6.656 -2.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -5.887 -5.441 0.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -3.056 -8.290 -0.569 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -4.842 -7.689 1.044 1.00 0.00 H new ATOM 127 N VAL A 8 -3.352 -0.912 -5.646 1.00 0.00 N ATOM 128 CA VAL A 8 -2.764 0.384 -6.088 1.00 0.00 C ATOM 129 C VAL A 8 -2.934 1.444 -4.997 1.00 0.00 C ATOM 130 O VAL A 8 -4.027 1.689 -4.521 1.00 0.00 O ATOM 131 CB VAL A 8 -3.484 0.849 -7.356 1.00 0.00 C ATOM 132 CG1 VAL A 8 -3.058 2.281 -7.690 1.00 0.00 C ATOM 133 CG2 VAL A 8 -3.121 -0.078 -8.517 1.00 0.00 C ATOM 0 H VAL A 8 -4.370 -0.964 -5.693 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.701 0.246 -6.285 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.561 0.821 -7.193 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.571 2.612 -8.593 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.319 2.941 -6.862 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.981 2.312 -7.853 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.633 0.253 -9.420 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.044 -0.052 -8.681 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.427 -1.097 -8.279 1.00 0.00 H new ATOM 143 N VAL A 9 -1.868 2.095 -4.608 1.00 0.00 N ATOM 144 CA VAL A 9 -1.987 3.150 -3.569 1.00 0.00 C ATOM 145 C VAL A 9 -2.804 4.303 -4.155 1.00 0.00 C ATOM 146 O VAL A 9 -2.455 4.864 -5.174 1.00 0.00 O ATOM 147 CB VAL A 9 -0.588 3.639 -3.170 1.00 0.00 C ATOM 148 CG1 VAL A 9 0.366 2.447 -3.095 1.00 0.00 C ATOM 149 CG2 VAL A 9 -0.062 4.641 -4.204 1.00 0.00 C ATOM 0 H VAL A 9 -0.926 1.939 -4.966 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.482 2.759 -2.680 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.649 4.127 -2.198 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.360 2.794 -2.812 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.004 1.737 -2.351 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.416 1.959 -4.068 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.931 4.980 -3.909 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.006 4.160 -5.181 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.736 5.496 -4.258 1.00 0.00 H new ATOM 159 N ASP A 10 -3.901 4.644 -3.543 1.00 0.00 N ATOM 160 CA ASP A 10 -4.736 5.733 -4.093 1.00 0.00 C ATOM 161 C ASP A 10 -4.673 6.959 -3.181 1.00 0.00 C ATOM 162 O ASP A 10 -4.018 6.953 -2.158 1.00 0.00 O ATOM 163 CB ASP A 10 -6.166 5.224 -4.195 1.00 0.00 C ATOM 164 CG ASP A 10 -6.710 4.929 -2.799 1.00 0.00 C ATOM 165 OD1 ASP A 10 -5.948 5.040 -1.857 1.00 0.00 O ATOM 166 OD2 ASP A 10 -7.880 4.599 -2.696 1.00 0.00 O ATOM 0 H ASP A 10 -4.252 4.214 -2.687 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.371 6.027 -5.077 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.792 5.967 -4.690 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.198 4.322 -4.806 1.00 0.00 H new ATOM 171 N ASP A 11 -5.343 8.017 -3.552 1.00 0.00 N ATOM 172 CA ASP A 11 -5.316 9.247 -2.715 1.00 0.00 C ATOM 173 C ASP A 11 -6.179 9.044 -1.468 1.00 0.00 C ATOM 174 O ASP A 11 -5.692 8.652 -0.430 1.00 0.00 O ATOM 175 CB ASP A 11 -5.848 10.430 -3.531 1.00 0.00 C ATOM 176 CG ASP A 11 -5.810 11.703 -2.680 1.00 0.00 C ATOM 177 OD1 ASP A 11 -5.946 11.591 -1.472 1.00 0.00 O ATOM 178 OD2 ASP A 11 -5.645 12.767 -3.251 1.00 0.00 O ATOM 0 H ASP A 11 -5.907 8.081 -4.399 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.291 9.454 -2.406 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.246 10.564 -4.430 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.868 10.229 -3.857 1.00 0.00 H new ATOM 183 N ASP A 12 -7.453 9.312 -1.556 1.00 0.00 N ATOM 184 CA ASP A 12 -8.336 9.142 -0.364 1.00 0.00 C ATOM 185 C ASP A 12 -8.763 7.679 -0.226 1.00 0.00 C ATOM 186 O ASP A 12 -8.490 6.855 -1.077 1.00 0.00 O ATOM 187 CB ASP A 12 -9.580 10.016 -0.529 1.00 0.00 C ATOM 188 CG ASP A 12 -9.498 11.208 0.427 1.00 0.00 C ATOM 189 OD1 ASP A 12 -9.316 10.981 1.611 1.00 0.00 O ATOM 190 OD2 ASP A 12 -9.619 12.327 -0.043 1.00 0.00 O ATOM 0 H ASP A 12 -7.922 9.641 -2.400 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.787 9.438 0.530 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.657 10.367 -1.558 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.477 9.432 -0.323 1.00 0.00 H new ATOM 195 N SER A 13 -9.435 7.354 0.845 1.00 0.00 N ATOM 196 CA SER A 13 -9.889 5.948 1.049 1.00 0.00 C ATOM 197 C SER A 13 -11.094 5.669 0.150 1.00 0.00 C ATOM 198 O SER A 13 -11.309 4.558 -0.289 1.00 0.00 O ATOM 199 CB SER A 13 -10.288 5.746 2.511 1.00 0.00 C ATOM 200 OG SER A 13 -11.122 6.821 2.922 1.00 0.00 O ATOM 0 H SER A 13 -9.690 8.003 1.589 1.00 0.00 H new ATOM 0 HA SER A 13 -9.078 5.264 0.797 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.812 4.798 2.629 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.399 5.699 3.140 1.00 0.00 H new ATOM 0 HG SER A 13 -11.381 6.694 3.858 1.00 0.00 H new ATOM 206 N SER A 14 -11.883 6.672 -0.129 1.00 0.00 N ATOM 207 CA SER A 14 -13.073 6.469 -1.002 1.00 0.00 C ATOM 208 C SER A 14 -12.615 6.305 -2.451 1.00 0.00 C ATOM 209 O SER A 14 -13.387 5.949 -3.318 1.00 0.00 O ATOM 210 CB SER A 14 -14.000 7.680 -0.890 1.00 0.00 C ATOM 211 OG SER A 14 -13.690 8.400 0.296 1.00 0.00 O ATOM 0 H SER A 14 -11.753 7.625 0.211 1.00 0.00 H new ATOM 0 HA SER A 14 -13.610 5.574 -0.687 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.883 8.324 -1.761 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.040 7.356 -0.871 1.00 0.00 H new ATOM 0 HG SER A 14 -14.281 9.178 0.370 1.00 0.00 H new ATOM 217 N ILE A 15 -11.363 6.555 -2.722 1.00 0.00 N ATOM 218 CA ILE A 15 -10.866 6.400 -4.117 1.00 0.00 C ATOM 219 C ILE A 15 -10.933 4.924 -4.503 1.00 0.00 C ATOM 220 O ILE A 15 -11.181 4.580 -5.642 1.00 0.00 O ATOM 221 CB ILE A 15 -9.420 6.893 -4.210 1.00 0.00 C ATOM 222 CG1 ILE A 15 -9.377 8.399 -3.945 1.00 0.00 C ATOM 223 CG2 ILE A 15 -8.876 6.607 -5.611 1.00 0.00 C ATOM 224 CD1 ILE A 15 -10.387 9.106 -4.851 1.00 0.00 C ATOM 0 H ILE A 15 -10.667 6.858 -2.041 1.00 0.00 H new ATOM 0 HA ILE A 15 -11.483 6.988 -4.796 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.810 6.376 -3.469 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.607 8.602 -2.899 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.374 8.783 -4.131 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.846 6.957 -5.680 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.908 5.534 -5.802 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.486 7.125 -6.351 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -10.356 10.179 -4.662 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -10.137 8.914 -5.894 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -11.388 8.729 -4.643 1.00 0.00 H new ATOM 236 N ARG A 16 -10.738 4.049 -3.557 1.00 0.00 N ATOM 237 CA ARG A 16 -10.817 2.597 -3.866 1.00 0.00 C ATOM 238 C ARG A 16 -12.265 2.279 -4.196 1.00 0.00 C ATOM 239 O ARG A 16 -12.559 1.483 -5.060 1.00 0.00 O ATOM 240 CB ARG A 16 -10.363 1.780 -2.655 1.00 0.00 C ATOM 241 CG ARG A 16 -11.352 1.970 -1.505 1.00 0.00 C ATOM 242 CD ARG A 16 -10.620 1.800 -0.174 1.00 0.00 C ATOM 243 NE ARG A 16 -11.616 1.615 0.917 1.00 0.00 N ATOM 244 CZ ARG A 16 -11.280 0.977 2.003 1.00 0.00 C ATOM 245 NH1 ARG A 16 -10.031 0.942 2.382 1.00 0.00 N ATOM 246 NH2 ARG A 16 -12.192 0.373 2.713 1.00 0.00 N ATOM 0 H ARG A 16 -10.528 4.277 -2.585 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.169 2.347 -4.706 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.297 0.725 -2.920 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.366 2.094 -2.346 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.805 2.960 -1.560 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -12.161 1.244 -1.583 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.952 0.940 -0.221 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.001 2.674 0.028 1.00 0.00 H new ATOM 0 HE ARG A 16 -12.560 1.987 0.815 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.317 1.414 1.828 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.770 0.442 3.232 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.168 0.400 2.419 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -11.929 -0.126 3.563 1.00 0.00 H new ATOM 260 N TRP A 17 -13.175 2.931 -3.536 1.00 0.00 N ATOM 261 CA TRP A 17 -14.604 2.699 -3.838 1.00 0.00 C ATOM 262 C TRP A 17 -14.795 2.945 -5.334 1.00 0.00 C ATOM 263 O TRP A 17 -15.112 2.047 -6.085 1.00 0.00 O ATOM 264 CB TRP A 17 -15.454 3.674 -2.998 1.00 0.00 C ATOM 265 CG TRP A 17 -16.653 4.151 -3.765 1.00 0.00 C ATOM 266 CD1 TRP A 17 -16.933 5.448 -4.031 1.00 0.00 C ATOM 267 CD2 TRP A 17 -17.730 3.371 -4.364 1.00 0.00 C ATOM 268 NE1 TRP A 17 -18.110 5.514 -4.754 1.00 0.00 N ATOM 269 CE2 TRP A 17 -18.639 4.262 -4.984 1.00 0.00 C ATOM 270 CE3 TRP A 17 -18.004 1.993 -4.431 1.00 0.00 C ATOM 271 CZ2 TRP A 17 -19.779 3.801 -5.646 1.00 0.00 C ATOM 272 CZ3 TRP A 17 -19.151 1.527 -5.096 1.00 0.00 C ATOM 273 CH2 TRP A 17 -20.036 2.430 -5.702 1.00 0.00 C ATOM 0 H TRP A 17 -12.989 3.614 -2.801 1.00 0.00 H new ATOM 0 HA TRP A 17 -14.914 1.683 -3.592 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -15.778 3.181 -2.082 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -14.845 4.528 -2.702 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -16.334 6.294 -3.728 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -18.535 6.383 -5.078 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -17.329 1.289 -3.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -20.457 4.501 -6.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -19.352 0.467 -5.141 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -20.916 2.065 -6.212 1.00 0.00 H new ATOM 284 N VAL A 18 -14.620 4.163 -5.761 1.00 0.00 N ATOM 285 CA VAL A 18 -14.807 4.485 -7.205 1.00 0.00 C ATOM 286 C VAL A 18 -14.215 3.371 -8.086 1.00 0.00 C ATOM 287 O VAL A 18 -14.916 2.684 -8.813 1.00 0.00 O ATOM 288 CB VAL A 18 -14.076 5.796 -7.503 1.00 0.00 C ATOM 289 CG1 VAL A 18 -14.016 6.020 -9.015 1.00 0.00 C ATOM 290 CG2 VAL A 18 -14.828 6.960 -6.849 1.00 0.00 C ATOM 0 H VAL A 18 -14.355 4.953 -5.172 1.00 0.00 H new ATOM 0 HA VAL A 18 -15.871 4.575 -7.422 1.00 0.00 H new ATOM 0 HB VAL A 18 -13.063 5.742 -7.103 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -13.495 6.954 -9.224 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -13.482 5.194 -9.484 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -15.028 6.072 -9.416 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -14.308 7.894 -7.061 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.841 7.010 -7.249 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -14.871 6.805 -5.771 1.00 0.00 H new ATOM 300 N LEU A 19 -12.917 3.209 -8.033 1.00 0.00 N ATOM 301 CA LEU A 19 -12.238 2.170 -8.867 1.00 0.00 C ATOM 302 C LEU A 19 -12.849 0.789 -8.626 1.00 0.00 C ATOM 303 O LEU A 19 -13.558 0.267 -9.461 1.00 0.00 O ATOM 304 CB LEU A 19 -10.750 2.128 -8.511 1.00 0.00 C ATOM 305 CG LEU A 19 -9.975 3.057 -9.445 1.00 0.00 C ATOM 306 CD1 LEU A 19 -10.012 2.498 -10.869 1.00 0.00 C ATOM 307 CD2 LEU A 19 -10.615 4.447 -9.425 1.00 0.00 C ATOM 0 H LEU A 19 -12.292 3.758 -7.442 1.00 0.00 H new ATOM 0 HA LEU A 19 -12.369 2.431 -9.917 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.605 2.433 -7.475 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.373 1.109 -8.599 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.940 3.128 -9.111 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -9.459 3.161 -11.535 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.557 1.508 -10.883 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -11.046 2.427 -11.205 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.064 5.111 -10.091 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.650 4.376 -9.759 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.588 4.845 -8.411 1.00 0.00 H new ATOM 319 N GLU A 20 -12.542 0.183 -7.505 1.00 0.00 N ATOM 320 CA GLU A 20 -13.073 -1.186 -7.200 1.00 0.00 C ATOM 321 C GLU A 20 -14.484 -1.345 -7.770 1.00 0.00 C ATOM 322 O GLU A 20 -14.886 -2.419 -8.171 1.00 0.00 O ATOM 323 CB GLU A 20 -13.113 -1.388 -5.684 1.00 0.00 C ATOM 324 CG GLU A 20 -12.458 -2.726 -5.333 1.00 0.00 C ATOM 325 CD GLU A 20 -13.480 -3.854 -5.489 1.00 0.00 C ATOM 326 OE1 GLU A 20 -14.161 -3.874 -6.501 1.00 0.00 O ATOM 327 OE2 GLU A 20 -13.563 -4.679 -4.594 1.00 0.00 O ATOM 0 H GLU A 20 -11.942 0.580 -6.782 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.420 -1.930 -7.656 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.591 -0.572 -5.183 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.144 -1.371 -5.331 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.602 -2.905 -5.983 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.082 -2.701 -4.310 1.00 0.00 H new ATOM 334 N ARG A 21 -15.232 -0.278 -7.822 1.00 0.00 N ATOM 335 CA ARG A 21 -16.607 -0.360 -8.382 1.00 0.00 C ATOM 336 C ARG A 21 -16.500 -0.760 -9.851 1.00 0.00 C ATOM 337 O ARG A 21 -17.025 -1.771 -10.270 1.00 0.00 O ATOM 338 CB ARG A 21 -17.293 1.004 -8.261 1.00 0.00 C ATOM 339 CG ARG A 21 -18.807 0.809 -8.151 1.00 0.00 C ATOM 340 CD ARG A 21 -19.355 0.320 -9.492 1.00 0.00 C ATOM 341 NE ARG A 21 -20.592 1.079 -9.831 1.00 0.00 N ATOM 342 CZ ARG A 21 -21.545 1.203 -8.947 1.00 0.00 C ATOM 343 NH1 ARG A 21 -21.668 0.320 -7.993 1.00 0.00 N ATOM 344 NH2 ARG A 21 -22.372 2.210 -9.017 1.00 0.00 N ATOM 0 H ARG A 21 -14.949 0.648 -7.500 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.196 -1.097 -7.836 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -16.920 1.534 -7.385 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -17.057 1.619 -9.129 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -19.036 0.087 -7.367 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -19.286 1.747 -7.870 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -18.607 0.455 -10.273 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -19.573 -0.747 -9.440 1.00 0.00 H new ATOM 0 HE ARG A 21 -20.694 1.502 -10.754 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -21.020 -0.466 -7.939 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -22.412 0.416 -7.302 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -22.274 2.900 -9.762 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -23.117 2.307 -8.327 1.00 0.00 H new ATOM 358 N ALA A 22 -15.809 0.021 -10.634 1.00 0.00 N ATOM 359 CA ALA A 22 -15.654 -0.329 -12.076 1.00 0.00 C ATOM 360 C ALA A 22 -14.789 -1.591 -12.200 1.00 0.00 C ATOM 361 O ALA A 22 -14.668 -2.171 -13.261 1.00 0.00 O ATOM 362 CB ALA A 22 -14.980 0.831 -12.811 1.00 0.00 C ATOM 0 H ALA A 22 -15.347 0.882 -10.341 1.00 0.00 H new ATOM 0 HA ALA A 22 -16.633 -0.515 -12.517 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.866 0.577 -13.865 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -15.594 1.727 -12.718 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.999 1.017 -12.374 1.00 0.00 H new ATOM 368 N LEU A 23 -14.184 -2.015 -11.122 1.00 0.00 N ATOM 369 CA LEU A 23 -13.323 -3.233 -11.163 1.00 0.00 C ATOM 370 C LEU A 23 -14.150 -4.465 -10.781 1.00 0.00 C ATOM 371 O LEU A 23 -13.731 -5.597 -10.976 1.00 0.00 O ATOM 372 CB LEU A 23 -12.179 -3.053 -10.171 1.00 0.00 C ATOM 373 CG LEU A 23 -11.109 -2.164 -10.798 1.00 0.00 C ATOM 374 CD1 LEU A 23 -10.603 -1.164 -9.758 1.00 0.00 C ATOM 375 CD2 LEU A 23 -9.949 -3.035 -11.280 1.00 0.00 C ATOM 0 H LEU A 23 -14.250 -1.566 -10.208 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.926 -3.374 -12.168 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -12.548 -2.604 -9.249 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.755 -4.022 -9.906 1.00 0.00 H new ATOM 0 HG LEU A 23 -11.532 -1.621 -11.643 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.839 -0.529 -10.206 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.432 -0.546 -9.414 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.177 -1.703 -8.912 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.182 -2.404 -11.729 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.525 -3.576 -10.434 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.312 -3.747 -12.021 1.00 0.00 H new ATOM 387 N ALA A 24 -15.323 -4.255 -10.246 1.00 0.00 N ATOM 388 CA ALA A 24 -16.184 -5.407 -9.864 1.00 0.00 C ATOM 389 C ALA A 24 -16.769 -6.021 -11.137 1.00 0.00 C ATOM 390 O ALA A 24 -17.019 -7.207 -11.211 1.00 0.00 O ATOM 391 CB ALA A 24 -17.318 -4.923 -8.955 1.00 0.00 C ATOM 0 H ALA A 24 -15.721 -3.335 -10.058 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.596 -6.152 -9.328 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -17.947 -5.768 -8.677 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -16.897 -4.473 -8.056 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -17.918 -4.183 -9.485 1.00 0.00 H new ATOM 397 N GLY A 25 -16.976 -5.215 -12.146 1.00 0.00 N ATOM 398 CA GLY A 25 -17.530 -5.742 -13.425 1.00 0.00 C ATOM 399 C GLY A 25 -16.426 -6.485 -14.175 1.00 0.00 C ATOM 400 O GLY A 25 -16.656 -7.510 -14.787 1.00 0.00 O ATOM 0 H GLY A 25 -16.784 -4.213 -12.138 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -18.367 -6.412 -13.226 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -17.915 -4.924 -14.034 1.00 0.00 H new ATOM 404 N ALA A 26 -15.220 -5.981 -14.124 1.00 0.00 N ATOM 405 CA ALA A 26 -14.100 -6.668 -14.825 1.00 0.00 C ATOM 406 C ALA A 26 -13.881 -8.034 -14.178 1.00 0.00 C ATOM 407 O ALA A 26 -13.555 -9.002 -14.836 1.00 0.00 O ATOM 408 CB ALA A 26 -12.824 -5.831 -14.699 1.00 0.00 C ATOM 0 H ALA A 26 -14.965 -5.127 -13.629 1.00 0.00 H new ATOM 0 HA ALA A 26 -14.343 -6.791 -15.881 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.006 -6.336 -15.213 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -12.986 -4.851 -15.149 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.571 -5.709 -13.646 1.00 0.00 H new ATOM 414 N GLY A 27 -14.071 -8.118 -12.891 1.00 0.00 N ATOM 415 CA GLY A 27 -13.889 -9.419 -12.192 1.00 0.00 C ATOM 416 C GLY A 27 -12.483 -9.506 -11.597 1.00 0.00 C ATOM 417 O GLY A 27 -11.783 -10.480 -11.791 1.00 0.00 O ATOM 0 H GLY A 27 -14.345 -7.339 -12.292 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -14.633 -9.523 -11.402 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.048 -10.241 -12.890 1.00 0.00 H new ATOM 421 N LEU A 28 -12.057 -8.506 -10.870 1.00 0.00 N ATOM 422 CA LEU A 28 -10.689 -8.569 -10.266 1.00 0.00 C ATOM 423 C LEU A 28 -10.713 -7.976 -8.860 1.00 0.00 C ATOM 424 O LEU A 28 -11.655 -7.322 -8.459 1.00 0.00 O ATOM 425 CB LEU A 28 -9.703 -7.772 -11.116 1.00 0.00 C ATOM 426 CG LEU A 28 -9.470 -8.489 -12.445 1.00 0.00 C ATOM 427 CD1 LEU A 28 -9.773 -7.536 -13.602 1.00 0.00 C ATOM 428 CD2 LEU A 28 -8.009 -8.936 -12.522 1.00 0.00 C ATOM 0 H LEU A 28 -12.587 -7.658 -10.669 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.378 -9.613 -10.223 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.091 -6.769 -11.296 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.759 -7.657 -10.583 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.126 -9.357 -12.513 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.606 -8.049 -14.549 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.812 -7.211 -13.543 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.117 -6.668 -13.539 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.835 -9.449 -13.468 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.358 -8.064 -12.456 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.792 -9.614 -11.697 1.00 0.00 H new ATOM 440 N THR A 29 -9.670 -8.202 -8.113 1.00 0.00 N ATOM 441 CA THR A 29 -9.603 -7.661 -6.727 1.00 0.00 C ATOM 442 C THR A 29 -8.716 -6.420 -6.728 1.00 0.00 C ATOM 443 O THR A 29 -7.701 -6.362 -6.063 1.00 0.00 O ATOM 444 CB THR A 29 -9.005 -8.725 -5.800 1.00 0.00 C ATOM 445 OG1 THR A 29 -9.803 -9.898 -5.857 1.00 0.00 O ATOM 446 CG2 THR A 29 -8.966 -8.200 -4.361 1.00 0.00 C ATOM 0 H THR A 29 -8.855 -8.742 -8.405 1.00 0.00 H new ATOM 0 HA THR A 29 -10.601 -7.398 -6.376 1.00 0.00 H new ATOM 0 HB THR A 29 -7.990 -8.956 -6.122 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.423 -10.581 -5.267 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.540 -8.961 -3.707 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.352 -7.300 -4.318 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.978 -7.965 -4.032 1.00 0.00 H new ATOM 454 N CYS A 30 -9.089 -5.429 -7.482 1.00 0.00 N ATOM 455 CA CYS A 30 -8.271 -4.193 -7.544 1.00 0.00 C ATOM 456 C CYS A 30 -8.590 -3.304 -6.341 1.00 0.00 C ATOM 457 O CYS A 30 -9.455 -2.453 -6.397 1.00 0.00 O ATOM 458 CB CYS A 30 -8.602 -3.449 -8.832 1.00 0.00 C ATOM 459 SG CYS A 30 -7.424 -2.095 -9.062 1.00 0.00 S ATOM 0 H CYS A 30 -9.929 -5.422 -8.060 1.00 0.00 H new ATOM 0 HA CYS A 30 -7.212 -4.449 -7.526 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -8.559 -4.132 -9.681 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -9.619 -3.058 -8.788 1.00 0.00 H new ATOM 0 HG CYS A 30 -7.703 -1.459 -10.161 1.00 0.00 H new ATOM 465 N THR A 31 -7.900 -3.499 -5.253 1.00 0.00 N ATOM 466 CA THR A 31 -8.165 -2.668 -4.047 1.00 0.00 C ATOM 467 C THR A 31 -7.098 -1.579 -3.934 1.00 0.00 C ATOM 468 O THR A 31 -5.925 -1.822 -4.130 1.00 0.00 O ATOM 469 CB THR A 31 -8.120 -3.554 -2.797 1.00 0.00 C ATOM 470 OG1 THR A 31 -8.892 -4.725 -3.023 1.00 0.00 O ATOM 471 CG2 THR A 31 -8.688 -2.790 -1.598 1.00 0.00 C ATOM 0 H THR A 31 -7.164 -4.198 -5.147 1.00 0.00 H new ATOM 0 HA THR A 31 -9.149 -2.207 -4.133 1.00 0.00 H new ATOM 0 HB THR A 31 -7.087 -3.831 -2.587 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.864 -5.294 -2.226 1.00 0.00 H new ATOM 0 HG21 THR A 31 -8.653 -3.425 -0.713 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.095 -1.892 -1.424 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.721 -2.508 -1.802 1.00 0.00 H new ATOM 479 N THR A 32 -7.489 -0.383 -3.609 1.00 0.00 N ATOM 480 CA THR A 32 -6.485 0.706 -3.474 1.00 0.00 C ATOM 481 C THR A 32 -6.354 1.069 -1.999 1.00 0.00 C ATOM 482 O THR A 32 -7.176 0.700 -1.184 1.00 0.00 O ATOM 483 CB THR A 32 -6.930 1.933 -4.259 1.00 0.00 C ATOM 484 OG1 THR A 32 -8.334 2.044 -4.188 1.00 0.00 O ATOM 485 CG2 THR A 32 -6.495 1.801 -5.721 1.00 0.00 C ATOM 0 H THR A 32 -8.456 -0.111 -3.431 1.00 0.00 H new ATOM 0 HA THR A 32 -5.526 0.367 -3.867 1.00 0.00 H new ATOM 0 HB THR A 32 -6.470 2.824 -3.832 1.00 0.00 H new ATOM 0 HG1 THR A 32 -8.744 1.407 -4.810 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.816 2.682 -6.277 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.409 1.716 -5.771 1.00 0.00 H new ATOM 0 HG23 THR A 32 -6.949 0.911 -6.157 1.00 0.00 H new ATOM 493 N PHE A 33 -5.330 1.789 -1.642 1.00 0.00 N ATOM 494 CA PHE A 33 -5.165 2.166 -0.214 1.00 0.00 C ATOM 495 C PHE A 33 -4.722 3.625 -0.121 1.00 0.00 C ATOM 496 O PHE A 33 -3.663 3.996 -0.587 1.00 0.00 O ATOM 497 CB PHE A 33 -4.130 1.246 0.432 1.00 0.00 C ATOM 498 CG PHE A 33 -4.858 0.191 1.234 1.00 0.00 C ATOM 499 CD1 PHE A 33 -5.674 -0.742 0.582 1.00 0.00 C ATOM 500 CD2 PHE A 33 -4.731 0.154 2.628 1.00 0.00 C ATOM 501 CE1 PHE A 33 -6.362 -1.712 1.320 1.00 0.00 C ATOM 502 CE2 PHE A 33 -5.418 -0.819 3.368 1.00 0.00 C ATOM 503 CZ PHE A 33 -6.234 -1.751 2.713 1.00 0.00 C ATOM 0 H PHE A 33 -4.605 2.131 -2.273 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.112 2.056 0.314 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.509 0.779 -0.333 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.464 1.819 1.077 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.773 -0.713 -0.493 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.104 0.874 3.133 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.991 -2.430 0.815 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.318 -0.850 4.443 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.764 -2.499 3.283 1.00 0.00 H new ATOM 513 N GLU A 34 -5.549 4.452 0.461 1.00 0.00 N ATOM 514 CA GLU A 34 -5.227 5.904 0.583 1.00 0.00 C ATOM 515 C GLU A 34 -3.728 6.101 0.838 1.00 0.00 C ATOM 516 O GLU A 34 -3.123 7.023 0.327 1.00 0.00 O ATOM 517 CB GLU A 34 -6.046 6.494 1.746 1.00 0.00 C ATOM 518 CG GLU A 34 -5.358 7.742 2.322 1.00 0.00 C ATOM 519 CD GLU A 34 -6.128 8.229 3.550 1.00 0.00 C ATOM 520 OE1 GLU A 34 -6.525 7.395 4.347 1.00 0.00 O ATOM 521 OE2 GLU A 34 -6.306 9.430 3.674 1.00 0.00 O ATOM 0 H GLU A 34 -6.446 4.179 0.862 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.481 6.414 -0.346 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.046 6.753 1.398 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.165 5.745 2.529 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.328 7.510 2.594 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.319 8.529 1.569 1.00 0.00 H new ATOM 528 N ASN A 35 -3.125 5.261 1.633 1.00 0.00 N ATOM 529 CA ASN A 35 -1.672 5.435 1.923 1.00 0.00 C ATOM 530 C ASN A 35 -0.861 4.296 1.302 1.00 0.00 C ATOM 531 O ASN A 35 -1.114 3.129 1.540 1.00 0.00 O ATOM 532 CB ASN A 35 -1.457 5.439 3.438 1.00 0.00 C ATOM 533 CG ASN A 35 -0.335 6.417 3.792 1.00 0.00 C ATOM 534 OD1 ASN A 35 -0.469 7.610 3.600 1.00 0.00 O ATOM 535 ND2 ASN A 35 0.775 5.961 4.304 1.00 0.00 N ATOM 0 H ASN A 35 -3.571 4.467 2.092 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.338 6.380 1.494 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.378 5.726 3.946 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.202 4.437 3.782 1.00 0.00 H new ATOM 0 HD21 ASN A 35 1.529 6.605 4.543 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.889 4.960 4.466 1.00 0.00 H new ATOM 542 N GLY A 36 0.129 4.632 0.517 1.00 0.00 N ATOM 543 CA GLY A 36 0.974 3.577 -0.109 1.00 0.00 C ATOM 544 C GLY A 36 1.461 2.626 0.980 1.00 0.00 C ATOM 545 O GLY A 36 1.396 1.421 0.839 1.00 0.00 O ATOM 0 H GLY A 36 0.387 5.591 0.284 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.402 3.031 -0.859 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.823 4.029 -0.623 1.00 0.00 H new ATOM 549 N ASN A 37 1.932 3.154 2.078 1.00 0.00 N ATOM 550 CA ASN A 37 2.395 2.267 3.176 1.00 0.00 C ATOM 551 C ASN A 37 1.210 1.417 3.622 1.00 0.00 C ATOM 552 O ASN A 37 1.226 0.223 3.499 1.00 0.00 O ATOM 553 CB ASN A 37 2.897 3.112 4.349 1.00 0.00 C ATOM 554 CG ASN A 37 3.879 2.290 5.185 1.00 0.00 C ATOM 555 OD1 ASN A 37 4.965 2.745 5.489 1.00 0.00 O ATOM 556 ND2 ASN A 37 3.542 1.091 5.572 1.00 0.00 N ATOM 0 H ASN A 37 2.015 4.154 2.259 1.00 0.00 H new ATOM 0 HA ASN A 37 3.211 1.632 2.833 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.384 4.014 3.979 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.057 3.433 4.966 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.189 0.534 6.130 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.631 0.710 5.317 1.00 0.00 H new ATOM 563 N GLU A 38 0.184 2.037 4.141 1.00 0.00 N ATOM 564 CA GLU A 38 -1.021 1.278 4.600 1.00 0.00 C ATOM 565 C GLU A 38 -1.278 0.062 3.695 1.00 0.00 C ATOM 566 O GLU A 38 -1.832 -0.929 4.124 1.00 0.00 O ATOM 567 CB GLU A 38 -2.239 2.205 4.547 1.00 0.00 C ATOM 568 CG GLU A 38 -3.413 1.551 5.280 1.00 0.00 C ATOM 569 CD GLU A 38 -3.287 1.810 6.783 1.00 0.00 C ATOM 570 OE1 GLU A 38 -2.742 2.840 7.144 1.00 0.00 O ATOM 571 OE2 GLU A 38 -3.739 0.973 7.547 1.00 0.00 O ATOM 0 H GLU A 38 0.127 3.047 4.269 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.849 0.926 5.617 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.999 3.164 5.006 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.511 2.407 3.511 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.356 1.953 4.909 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.425 0.479 5.085 1.00 0.00 H new ATOM 578 N VAL A 39 -0.896 0.131 2.445 1.00 0.00 N ATOM 579 CA VAL A 39 -1.132 -1.020 1.529 1.00 0.00 C ATOM 580 C VAL A 39 -0.033 -2.087 1.708 1.00 0.00 C ATOM 581 O VAL A 39 -0.321 -3.256 1.879 1.00 0.00 O ATOM 582 CB VAL A 39 -1.173 -0.498 0.074 1.00 0.00 C ATOM 583 CG1 VAL A 39 0.115 -0.843 -0.686 1.00 0.00 C ATOM 584 CG2 VAL A 39 -2.354 -1.127 -0.657 1.00 0.00 C ATOM 0 H VAL A 39 -0.432 0.935 2.022 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.085 -1.492 1.766 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.274 0.587 0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.050 -0.460 -1.705 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.968 -0.389 -0.182 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.243 -1.925 -0.712 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.384 -0.760 -1.683 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.243 -2.211 -0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.281 -0.860 -0.149 1.00 0.00 H new ATOM 594 N LEU A 40 1.218 -1.706 1.655 1.00 0.00 N ATOM 595 CA LEU A 40 2.311 -2.718 1.805 1.00 0.00 C ATOM 596 C LEU A 40 2.406 -3.166 3.271 1.00 0.00 C ATOM 597 O LEU A 40 3.042 -4.150 3.595 1.00 0.00 O ATOM 598 CB LEU A 40 3.636 -2.116 1.269 1.00 0.00 C ATOM 599 CG LEU A 40 4.616 -1.707 2.383 1.00 0.00 C ATOM 600 CD1 LEU A 40 3.912 -0.848 3.428 1.00 0.00 C ATOM 601 CD2 LEU A 40 5.206 -2.952 3.048 1.00 0.00 C ATOM 0 H LEU A 40 1.530 -0.745 1.515 1.00 0.00 H new ATOM 0 HA LEU A 40 2.096 -3.610 1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.120 -2.844 0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.409 -1.243 0.657 1.00 0.00 H new ATOM 0 HG LEU A 40 5.421 -1.124 1.936 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.621 -0.569 4.207 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.520 0.052 2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.091 -1.413 3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.898 -2.651 3.835 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.403 -3.549 3.480 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.738 -3.544 2.304 1.00 0.00 H new ATOM 613 N ALA A 41 1.735 -2.473 4.146 1.00 0.00 N ATOM 614 CA ALA A 41 1.737 -2.850 5.586 1.00 0.00 C ATOM 615 C ALA A 41 0.518 -3.722 5.843 1.00 0.00 C ATOM 616 O ALA A 41 0.616 -4.798 6.402 1.00 0.00 O ATOM 617 CB ALA A 41 1.658 -1.581 6.439 1.00 0.00 C ATOM 0 H ALA A 41 1.177 -1.649 3.921 1.00 0.00 H new ATOM 0 HA ALA A 41 2.647 -3.392 5.843 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.659 -1.852 7.495 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.518 -0.946 6.226 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.741 -1.041 6.204 1.00 0.00 H new ATOM 623 N ALA A 42 -0.632 -3.290 5.402 1.00 0.00 N ATOM 624 CA ALA A 42 -1.835 -4.131 5.591 1.00 0.00 C ATOM 625 C ALA A 42 -1.525 -5.477 4.948 1.00 0.00 C ATOM 626 O ALA A 42 -2.063 -6.503 5.314 1.00 0.00 O ATOM 627 CB ALA A 42 -3.038 -3.481 4.903 1.00 0.00 C ATOM 0 H ALA A 42 -0.785 -2.401 4.925 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.079 -4.247 6.647 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.920 -4.105 5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.216 -2.496 5.335 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.836 -3.378 3.837 1.00 0.00 H new ATOM 633 N LEU A 43 -0.626 -5.471 3.997 1.00 0.00 N ATOM 634 CA LEU A 43 -0.230 -6.733 3.327 1.00 0.00 C ATOM 635 C LEU A 43 0.629 -7.544 4.293 1.00 0.00 C ATOM 636 O LEU A 43 0.172 -8.491 4.903 1.00 0.00 O ATOM 637 CB LEU A 43 0.593 -6.409 2.076 1.00 0.00 C ATOM 638 CG LEU A 43 -0.312 -6.417 0.844 1.00 0.00 C ATOM 639 CD1 LEU A 43 0.480 -5.932 -0.371 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.809 -7.842 0.593 1.00 0.00 C ATOM 0 H LEU A 43 -0.149 -4.636 3.658 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.117 -7.299 3.041 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.067 -5.433 2.184 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.392 -7.140 1.956 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.163 -5.757 1.010 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.164 -5.937 -1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.840 -4.919 -0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.330 -6.594 -0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.455 -7.853 -0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.043 -8.500 0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.370 -8.190 1.460 1.00 0.00 H new ATOM 652 N ALA A 44 1.874 -7.165 4.430 1.00 0.00 N ATOM 653 CA ALA A 44 2.800 -7.890 5.343 1.00 0.00 C ATOM 654 C ALA A 44 3.349 -9.120 4.615 1.00 0.00 C ATOM 655 O ALA A 44 4.540 -9.360 4.590 1.00 0.00 O ATOM 656 CB ALA A 44 2.059 -8.299 6.614 1.00 0.00 C ATOM 0 H ALA A 44 2.291 -6.373 3.940 1.00 0.00 H new ATOM 0 HA ALA A 44 3.630 -7.243 5.627 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.741 -8.829 7.278 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.681 -7.409 7.117 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.225 -8.951 6.355 1.00 0.00 H new ATOM 662 N SER A 45 2.491 -9.883 3.997 1.00 0.00 N ATOM 663 CA SER A 45 2.951 -11.075 3.239 1.00 0.00 C ATOM 664 C SER A 45 3.011 -10.694 1.760 1.00 0.00 C ATOM 665 O SER A 45 3.765 -11.252 0.987 1.00 0.00 O ATOM 666 CB SER A 45 1.960 -12.222 3.435 1.00 0.00 C ATOM 667 OG SER A 45 2.577 -13.250 4.200 1.00 0.00 O ATOM 0 H SER A 45 1.483 -9.729 3.986 1.00 0.00 H new ATOM 0 HA SER A 45 3.931 -11.396 3.590 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.065 -11.862 3.943 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.642 -12.613 2.468 1.00 0.00 H new ATOM 0 HG SER A 45 1.944 -13.987 4.329 1.00 0.00 H new ATOM 673 N LYS A 46 2.217 -9.730 1.371 1.00 0.00 N ATOM 674 CA LYS A 46 2.209 -9.277 -0.045 1.00 0.00 C ATOM 675 C LYS A 46 1.713 -10.430 -0.948 1.00 0.00 C ATOM 676 O LYS A 46 2.396 -10.953 -1.798 1.00 0.00 O ATOM 677 CB LYS A 46 3.626 -8.744 -0.395 1.00 0.00 C ATOM 678 CG LYS A 46 4.427 -9.693 -1.279 1.00 0.00 C ATOM 679 CD LYS A 46 4.104 -9.382 -2.739 1.00 0.00 C ATOM 680 CE LYS A 46 5.209 -8.502 -3.318 1.00 0.00 C ATOM 681 NZ LYS A 46 4.649 -7.169 -3.678 1.00 0.00 N ATOM 0 H LYS A 46 1.569 -9.235 1.983 1.00 0.00 H new ATOM 0 HA LYS A 46 1.515 -8.454 -0.212 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.530 -7.783 -0.900 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.178 -8.566 0.528 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.494 -9.574 -1.093 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.177 -10.728 -1.048 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.021 -10.306 -3.311 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.142 -8.874 -2.812 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.013 -8.386 -2.592 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.641 -8.976 -4.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.765 -7.008 -4.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.638 -7.140 -3.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.152 -6.427 -3.151 1.00 0.00 H new ATOM 695 N THR A 47 0.492 -10.847 -0.751 1.00 0.00 N ATOM 696 CA THR A 47 -0.037 -11.968 -1.576 1.00 0.00 C ATOM 697 C THR A 47 -1.016 -11.494 -2.670 1.00 0.00 C ATOM 698 O THR A 47 -2.002 -12.157 -2.920 1.00 0.00 O ATOM 699 CB THR A 47 -0.762 -12.956 -0.661 1.00 0.00 C ATOM 700 OG1 THR A 47 -0.925 -12.374 0.625 1.00 0.00 O ATOM 701 CG2 THR A 47 0.057 -14.242 -0.541 1.00 0.00 C ATOM 0 H THR A 47 -0.156 -10.464 -0.062 1.00 0.00 H new ATOM 0 HA THR A 47 0.812 -12.435 -2.075 1.00 0.00 H new ATOM 0 HB THR A 47 -1.740 -13.191 -1.082 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.602 -11.667 0.581 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.462 -14.944 0.112 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.181 -14.688 -1.528 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.036 -14.012 -0.121 1.00 0.00 H new ATOM 709 N PRO A 48 -0.716 -10.393 -3.322 1.00 0.00 N ATOM 710 CA PRO A 48 -1.646 -9.979 -4.401 1.00 0.00 C ATOM 711 C PRO A 48 -1.063 -10.371 -5.761 1.00 0.00 C ATOM 712 O PRO A 48 -0.108 -11.117 -5.847 1.00 0.00 O ATOM 713 CB PRO A 48 -1.739 -8.460 -4.290 1.00 0.00 C ATOM 714 CG PRO A 48 -0.455 -8.014 -3.579 1.00 0.00 C ATOM 715 CD PRO A 48 0.039 -9.231 -2.787 1.00 0.00 C ATOM 0 HA PRO A 48 -2.623 -10.454 -4.310 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -1.821 -8.000 -5.275 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.622 -8.162 -3.725 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.295 -7.687 -4.299 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -0.650 -7.171 -2.916 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.113 -9.370 -2.913 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.143 -9.104 -1.720 1.00 0.00 H new ATOM 723 N ASP A 49 -1.624 -9.864 -6.821 1.00 0.00 N ATOM 724 CA ASP A 49 -1.100 -10.193 -8.176 1.00 0.00 C ATOM 725 C ASP A 49 -0.083 -9.127 -8.595 1.00 0.00 C ATOM 726 O ASP A 49 1.031 -9.427 -8.974 1.00 0.00 O ATOM 727 CB ASP A 49 -2.258 -10.214 -9.177 1.00 0.00 C ATOM 728 CG ASP A 49 -2.822 -11.633 -9.280 1.00 0.00 C ATOM 729 OD1 ASP A 49 -3.362 -12.107 -8.294 1.00 0.00 O ATOM 730 OD2 ASP A 49 -2.705 -12.219 -10.343 1.00 0.00 O ATOM 0 H ASP A 49 -2.426 -9.234 -6.808 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.619 -11.171 -8.157 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.039 -9.524 -8.859 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.913 -9.877 -10.155 1.00 0.00 H new ATOM 735 N VAL A 50 -0.466 -7.881 -8.525 1.00 0.00 N ATOM 736 CA VAL A 50 0.461 -6.779 -8.912 1.00 0.00 C ATOM 737 C VAL A 50 0.178 -5.558 -8.027 1.00 0.00 C ATOM 738 O VAL A 50 -0.949 -5.118 -7.912 1.00 0.00 O ATOM 739 CB VAL A 50 0.210 -6.408 -10.380 1.00 0.00 C ATOM 740 CG1 VAL A 50 0.735 -4.996 -10.666 1.00 0.00 C ATOM 741 CG2 VAL A 50 0.934 -7.403 -11.289 1.00 0.00 C ATOM 0 H VAL A 50 -1.389 -7.577 -8.214 1.00 0.00 H new ATOM 0 HA VAL A 50 1.496 -7.097 -8.784 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.862 -6.439 -10.573 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.551 -4.744 -11.710 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.222 -4.280 -10.024 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.806 -4.959 -10.467 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.756 -7.140 -12.332 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.004 -7.371 -11.084 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.559 -8.409 -11.100 1.00 0.00 H new ATOM 751 N LEU A 51 1.182 -4.995 -7.413 1.00 0.00 N ATOM 752 CA LEU A 51 0.940 -3.794 -6.562 1.00 0.00 C ATOM 753 C LEU A 51 1.290 -2.544 -7.379 1.00 0.00 C ATOM 754 O LEU A 51 2.426 -2.337 -7.764 1.00 0.00 O ATOM 755 CB LEU A 51 1.805 -3.863 -5.296 1.00 0.00 C ATOM 756 CG LEU A 51 0.899 -3.834 -4.056 1.00 0.00 C ATOM 757 CD1 LEU A 51 0.163 -5.169 -3.913 1.00 0.00 C ATOM 758 CD2 LEU A 51 1.744 -3.591 -2.802 1.00 0.00 C ATOM 0 H LEU A 51 2.151 -5.310 -7.462 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.106 -3.756 -6.257 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.404 -4.774 -5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.500 -3.024 -5.271 1.00 0.00 H new ATOM 0 HG LEU A 51 0.173 -3.029 -4.171 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.477 -5.139 -3.031 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.448 -5.345 -4.799 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.889 -5.975 -3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.097 -3.571 -1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.475 -4.392 -2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.262 -2.636 -2.892 1.00 0.00 H new ATOM 770 N LEU A 52 0.320 -1.722 -7.673 1.00 0.00 N ATOM 771 CA LEU A 52 0.598 -0.506 -8.490 1.00 0.00 C ATOM 772 C LEU A 52 0.514 0.750 -7.621 1.00 0.00 C ATOM 773 O LEU A 52 0.351 0.684 -6.419 1.00 0.00 O ATOM 774 CB LEU A 52 -0.436 -0.405 -9.612 1.00 0.00 C ATOM 775 CG LEU A 52 0.275 -0.403 -10.964 1.00 0.00 C ATOM 776 CD1 LEU A 52 -0.288 -1.528 -11.833 1.00 0.00 C ATOM 777 CD2 LEU A 52 0.048 0.941 -11.662 1.00 0.00 C ATOM 0 H LEU A 52 -0.651 -1.839 -7.384 1.00 0.00 H new ATOM 0 HA LEU A 52 1.602 -0.584 -8.908 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.131 -1.243 -9.556 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.024 0.505 -9.498 1.00 0.00 H new ATOM 0 HG LEU A 52 1.344 -0.556 -10.813 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.217 -1.529 -12.799 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.127 -2.486 -11.338 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.356 -1.372 -11.983 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.556 0.941 -12.626 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.020 1.096 -11.815 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.446 1.745 -11.043 1.00 0.00 H new ATOM 789 N SER A 53 0.623 1.897 -8.235 1.00 0.00 N ATOM 790 CA SER A 53 0.551 3.173 -7.473 1.00 0.00 C ATOM 791 C SER A 53 0.091 4.285 -8.418 1.00 0.00 C ATOM 792 O SER A 53 0.689 4.519 -9.450 1.00 0.00 O ATOM 793 CB SER A 53 1.933 3.516 -6.917 1.00 0.00 C ATOM 794 OG SER A 53 1.833 4.663 -6.083 1.00 0.00 O ATOM 0 H SER A 53 0.760 2.004 -9.240 1.00 0.00 H new ATOM 0 HA SER A 53 -0.152 3.072 -6.646 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.329 2.673 -6.350 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.629 3.706 -7.734 1.00 0.00 H new ATOM 0 HG SER A 53 1.556 5.435 -6.620 1.00 0.00 H new ATOM 800 N ASP A 54 -0.971 4.965 -8.086 1.00 0.00 N ATOM 801 CA ASP A 54 -1.462 6.050 -8.983 1.00 0.00 C ATOM 802 C ASP A 54 -1.064 7.416 -8.418 1.00 0.00 C ATOM 803 O ASP A 54 -0.956 7.599 -7.222 1.00 0.00 O ATOM 804 CB ASP A 54 -2.987 5.966 -9.098 1.00 0.00 C ATOM 805 CG ASP A 54 -3.633 6.480 -7.810 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.964 6.472 -6.789 1.00 0.00 O ATOM 807 OD2 ASP A 54 -4.786 6.874 -7.866 1.00 0.00 O ATOM 0 H ASP A 54 -1.518 4.818 -7.238 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.014 5.929 -9.969 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.330 6.556 -9.948 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.291 4.935 -9.282 1.00 0.00 H new ATOM 812 N ILE A 55 -0.854 8.378 -9.276 1.00 0.00 N ATOM 813 CA ILE A 55 -0.475 9.739 -8.799 1.00 0.00 C ATOM 814 C ILE A 55 -1.708 10.647 -8.883 1.00 0.00 C ATOM 815 O ILE A 55 -2.160 10.999 -9.953 1.00 0.00 O ATOM 816 CB ILE A 55 0.665 10.297 -9.672 1.00 0.00 C ATOM 817 CG1 ILE A 55 0.628 11.832 -9.680 1.00 0.00 C ATOM 818 CG2 ILE A 55 0.520 9.783 -11.106 1.00 0.00 C ATOM 819 CD1 ILE A 55 0.877 12.358 -8.265 1.00 0.00 C ATOM 0 H ILE A 55 -0.929 8.280 -10.288 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.126 9.693 -7.767 1.00 0.00 H new ATOM 0 HB ILE A 55 1.616 9.963 -9.256 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.384 12.221 -10.362 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.338 12.181 -10.044 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.329 10.181 -11.719 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.565 8.694 -11.108 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.437 10.108 -11.514 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.851 13.448 -8.272 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.104 11.981 -7.595 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.854 12.021 -7.918 1.00 0.00 H new ATOM 831 N ARG A 56 -2.256 11.023 -7.758 1.00 0.00 N ATOM 832 CA ARG A 56 -3.460 11.901 -7.773 1.00 0.00 C ATOM 833 C ARG A 56 -3.629 12.558 -6.402 1.00 0.00 C ATOM 834 O ARG A 56 -4.726 12.873 -5.985 1.00 0.00 O ATOM 835 CB ARG A 56 -4.696 11.058 -8.091 1.00 0.00 C ATOM 836 CG ARG A 56 -5.858 11.973 -8.484 1.00 0.00 C ATOM 837 CD ARG A 56 -6.933 11.925 -7.397 1.00 0.00 C ATOM 838 NE ARG A 56 -8.254 11.621 -8.017 1.00 0.00 N ATOM 839 CZ ARG A 56 -9.254 12.442 -7.852 1.00 0.00 C ATOM 840 NH1 ARG A 56 -9.465 12.983 -6.683 1.00 0.00 N ATOM 841 NH2 ARG A 56 -10.042 12.722 -8.853 1.00 0.00 N ATOM 0 H ARG A 56 -1.922 10.760 -6.831 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.340 12.674 -8.532 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.476 10.365 -8.903 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.971 10.457 -7.224 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.502 12.995 -8.614 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.277 11.657 -9.439 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.683 11.165 -6.657 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.977 12.879 -6.872 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.376 10.772 -8.569 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.848 12.763 -5.901 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.246 13.625 -6.552 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.877 12.299 -9.766 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.824 13.364 -8.723 1.00 0.00 H new ATOM 855 N MET A 57 -2.552 12.765 -5.694 1.00 0.00 N ATOM 856 CA MET A 57 -2.653 13.398 -4.349 1.00 0.00 C ATOM 857 C MET A 57 -2.449 14.912 -4.476 1.00 0.00 C ATOM 858 O MET A 57 -1.459 15.361 -5.018 1.00 0.00 O ATOM 859 CB MET A 57 -1.574 12.817 -3.432 1.00 0.00 C ATOM 860 CG MET A 57 -2.005 11.432 -2.947 1.00 0.00 C ATOM 861 SD MET A 57 -1.537 11.230 -1.209 1.00 0.00 S ATOM 862 CE MET A 57 -1.464 9.422 -1.199 1.00 0.00 C ATOM 0 H MET A 57 -1.606 12.523 -5.989 1.00 0.00 H new ATOM 0 HA MET A 57 -3.639 13.199 -3.928 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.627 12.748 -3.967 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.412 13.478 -2.580 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.083 11.314 -3.061 1.00 0.00 H new ATOM 0 HG3 MET A 57 -1.534 10.659 -3.554 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.804 9.049 -0.233 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.106 9.028 -1.986 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.438 9.098 -1.372 1.00 0.00 H new ATOM 872 N PRO A 58 -3.398 15.650 -3.963 1.00 0.00 N ATOM 873 CA PRO A 58 -3.278 17.123 -4.035 1.00 0.00 C ATOM 874 C PRO A 58 -2.862 17.687 -2.674 1.00 0.00 C ATOM 875 O PRO A 58 -3.434 17.357 -1.654 1.00 0.00 O ATOM 876 CB PRO A 58 -4.679 17.605 -4.412 1.00 0.00 C ATOM 877 CG PRO A 58 -5.647 16.487 -3.984 1.00 0.00 C ATOM 878 CD PRO A 58 -4.808 15.204 -3.859 1.00 0.00 C ATOM 0 HA PRO A 58 -2.524 17.447 -4.753 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -4.918 18.541 -3.907 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -4.751 17.793 -5.483 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.126 16.731 -3.036 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -6.442 16.360 -4.719 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.994 14.703 -2.909 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -5.055 14.493 -4.648 1.00 0.00 H new ATOM 886 N GLY A 59 -1.869 18.534 -2.652 1.00 0.00 N ATOM 887 CA GLY A 59 -1.416 19.118 -1.358 1.00 0.00 C ATOM 888 C GLY A 59 0.101 19.312 -1.392 1.00 0.00 C ATOM 889 O GLY A 59 0.593 20.415 -1.515 1.00 0.00 O ATOM 0 H GLY A 59 -1.352 18.847 -3.474 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.912 20.073 -1.184 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.691 18.461 -0.533 1.00 0.00 H new ATOM 893 N MET A 60 0.846 18.246 -1.284 1.00 0.00 N ATOM 894 CA MET A 60 2.331 18.369 -1.311 1.00 0.00 C ATOM 895 C MET A 60 2.948 17.009 -1.640 1.00 0.00 C ATOM 896 O MET A 60 2.642 16.012 -1.016 1.00 0.00 O ATOM 897 CB MET A 60 2.831 18.834 0.058 1.00 0.00 C ATOM 898 CG MET A 60 2.016 18.153 1.159 1.00 0.00 C ATOM 899 SD MET A 60 1.091 19.403 2.086 1.00 0.00 S ATOM 900 CE MET A 60 1.338 18.696 3.734 1.00 0.00 C ATOM 0 H MET A 60 0.491 17.296 -1.178 1.00 0.00 H new ATOM 0 HA MET A 60 2.621 19.096 -2.070 1.00 0.00 H new ATOM 0 HB2 MET A 60 3.888 18.593 0.172 1.00 0.00 H new ATOM 0 HB3 MET A 60 2.740 19.917 0.141 1.00 0.00 H new ATOM 0 HG2 MET A 60 1.330 17.427 0.722 1.00 0.00 H new ATOM 0 HG3 MET A 60 2.677 17.604 1.829 1.00 0.00 H new ATOM 0 HE1 MET A 60 0.840 19.320 4.476 1.00 0.00 H new ATOM 0 HE2 MET A 60 0.918 17.691 3.765 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.405 18.651 3.954 1.00 0.00 H new ATOM 910 N ASP A 61 3.814 16.957 -2.614 1.00 0.00 N ATOM 911 CA ASP A 61 4.447 15.660 -2.979 1.00 0.00 C ATOM 912 C ASP A 61 3.396 14.737 -3.598 1.00 0.00 C ATOM 913 O ASP A 61 2.228 14.803 -3.270 1.00 0.00 O ATOM 914 CB ASP A 61 5.024 15.005 -1.723 1.00 0.00 C ATOM 915 CG ASP A 61 6.551 15.040 -1.785 1.00 0.00 C ATOM 916 OD1 ASP A 61 7.121 16.022 -1.338 1.00 0.00 O ATOM 917 OD2 ASP A 61 7.127 14.084 -2.278 1.00 0.00 O ATOM 0 H ASP A 61 4.110 17.757 -3.173 1.00 0.00 H new ATOM 0 HA ASP A 61 5.247 15.835 -3.699 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.674 15.528 -0.833 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.676 13.975 -1.645 1.00 0.00 H new ATOM 922 N GLY A 62 3.801 13.879 -4.494 1.00 0.00 N ATOM 923 CA GLY A 62 2.823 12.954 -5.137 1.00 0.00 C ATOM 924 C GLY A 62 2.535 11.780 -4.201 1.00 0.00 C ATOM 925 O GLY A 62 1.570 11.783 -3.463 1.00 0.00 O ATOM 0 H GLY A 62 4.766 13.778 -4.809 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.899 13.486 -5.364 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.221 12.588 -6.083 1.00 0.00 H new ATOM 929 N LEU A 63 3.366 10.774 -4.227 1.00 0.00 N ATOM 930 CA LEU A 63 3.140 9.597 -3.340 1.00 0.00 C ATOM 931 C LEU A 63 4.486 9.018 -2.909 1.00 0.00 C ATOM 932 O LEU A 63 4.760 8.860 -1.736 1.00 0.00 O ATOM 933 CB LEU A 63 2.343 8.528 -4.093 1.00 0.00 C ATOM 934 CG LEU A 63 2.834 8.427 -5.539 1.00 0.00 C ATOM 935 CD1 LEU A 63 3.554 7.094 -5.742 1.00 0.00 C ATOM 936 CD2 LEU A 63 1.637 8.507 -6.488 1.00 0.00 C ATOM 0 H LEU A 63 4.191 10.716 -4.824 1.00 0.00 H new ATOM 0 HA LEU A 63 2.579 9.912 -2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.452 7.564 -3.596 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.282 8.776 -4.078 1.00 0.00 H new ATOM 0 HG LEU A 63 3.522 9.247 -5.747 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.904 7.022 -6.772 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.406 7.034 -5.065 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.867 6.274 -5.534 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.984 8.435 -7.519 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.951 7.686 -6.278 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.121 9.457 -6.344 1.00 0.00 H new ATOM 948 N ALA A 64 5.327 8.702 -3.851 1.00 0.00 N ATOM 949 CA ALA A 64 6.658 8.133 -3.504 1.00 0.00 C ATOM 950 C ALA A 64 6.482 7.014 -2.473 1.00 0.00 C ATOM 951 O ALA A 64 6.995 7.084 -1.374 1.00 0.00 O ATOM 952 CB ALA A 64 7.544 9.233 -2.915 1.00 0.00 C ATOM 0 H ALA A 64 5.150 8.813 -4.849 1.00 0.00 H new ATOM 0 HA ALA A 64 7.126 7.730 -4.402 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.519 8.818 -2.660 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.669 10.030 -3.647 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.076 9.636 -2.017 1.00 0.00 H new ATOM 958 N LEU A 65 5.761 5.982 -2.820 1.00 0.00 N ATOM 959 CA LEU A 65 5.553 4.861 -1.860 1.00 0.00 C ATOM 960 C LEU A 65 6.002 3.546 -2.499 1.00 0.00 C ATOM 961 O LEU A 65 5.795 2.474 -1.959 1.00 0.00 O ATOM 962 CB LEU A 65 4.074 4.775 -1.485 1.00 0.00 C ATOM 963 CG LEU A 65 3.648 6.086 -0.824 1.00 0.00 C ATOM 964 CD1 LEU A 65 2.366 6.598 -1.481 1.00 0.00 C ATOM 965 CD2 LEU A 65 3.396 5.844 0.664 1.00 0.00 C ATOM 0 H LEU A 65 5.307 5.867 -3.726 1.00 0.00 H new ATOM 0 HA LEU A 65 6.142 5.042 -0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.471 4.589 -2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.906 3.939 -0.805 1.00 0.00 H new ATOM 0 HG LEU A 65 4.437 6.828 -0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.063 7.533 -1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.544 6.769 -2.543 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.575 5.858 -1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.092 6.777 1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.606 5.102 0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.310 5.480 1.133 1.00 0.00 H new ATOM 977 N LEU A 66 6.624 3.619 -3.643 1.00 0.00 N ATOM 978 CA LEU A 66 7.097 2.376 -4.307 1.00 0.00 C ATOM 979 C LEU A 66 8.346 1.880 -3.584 1.00 0.00 C ATOM 980 O LEU A 66 8.725 0.731 -3.694 1.00 0.00 O ATOM 981 CB LEU A 66 7.441 2.674 -5.769 1.00 0.00 C ATOM 982 CG LEU A 66 6.155 2.874 -6.572 1.00 0.00 C ATOM 983 CD1 LEU A 66 5.789 4.359 -6.590 1.00 0.00 C ATOM 984 CD2 LEU A 66 6.373 2.386 -8.004 1.00 0.00 C ATOM 0 H LEU A 66 6.824 4.484 -4.145 1.00 0.00 H new ATOM 0 HA LEU A 66 6.316 1.616 -4.270 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.062 3.567 -5.831 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.020 1.853 -6.191 1.00 0.00 H new ATOM 0 HG LEU A 66 5.346 2.308 -6.111 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.872 4.501 -7.162 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.637 4.709 -5.569 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.597 4.927 -7.052 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.458 2.527 -8.580 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.182 2.955 -8.463 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.635 1.328 -7.992 1.00 0.00 H new ATOM 996 N LYS A 67 8.989 2.740 -2.842 1.00 0.00 N ATOM 997 CA LYS A 67 10.212 2.317 -2.112 1.00 0.00 C ATOM 998 C LYS A 67 9.830 1.288 -1.046 1.00 0.00 C ATOM 999 O LYS A 67 10.531 0.319 -0.833 1.00 0.00 O ATOM 1000 CB LYS A 67 10.869 3.534 -1.456 1.00 0.00 C ATOM 1001 CG LYS A 67 9.856 4.246 -0.560 1.00 0.00 C ATOM 1002 CD LYS A 67 10.016 5.757 -0.721 1.00 0.00 C ATOM 1003 CE LYS A 67 9.695 6.450 0.604 1.00 0.00 C ATOM 1004 NZ LYS A 67 9.930 7.915 0.470 1.00 0.00 N ATOM 0 H LYS A 67 8.719 3.715 -2.711 1.00 0.00 H new ATOM 0 HA LYS A 67 10.920 1.869 -2.809 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.732 3.221 -0.868 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.236 4.218 -2.221 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.843 3.945 -0.826 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.010 3.961 0.481 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.034 5.994 -1.030 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.352 6.122 -1.504 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.658 6.262 0.883 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.318 6.042 1.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.712 8.386 1.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.926 8.086 0.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.317 8.298 -0.278 1.00 0.00 H new ATOM 1018 N GLN A 68 8.716 1.474 -0.384 1.00 0.00 N ATOM 1019 CA GLN A 68 8.311 0.480 0.648 1.00 0.00 C ATOM 1020 C GLN A 68 7.661 -0.724 -0.039 1.00 0.00 C ATOM 1021 O GLN A 68 8.089 -1.841 0.142 1.00 0.00 O ATOM 1022 CB GLN A 68 7.344 1.108 1.668 1.00 0.00 C ATOM 1023 CG GLN A 68 6.120 1.709 0.968 1.00 0.00 C ATOM 1024 CD GLN A 68 5.687 2.979 1.703 1.00 0.00 C ATOM 1025 OE1 GLN A 68 4.532 3.132 2.046 1.00 0.00 O ATOM 1026 NE2 GLN A 68 6.571 3.905 1.959 1.00 0.00 N ATOM 0 H GLN A 68 8.079 2.260 -0.513 1.00 0.00 H new ATOM 0 HA GLN A 68 9.197 0.152 1.192 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.023 0.351 2.383 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.860 1.883 2.234 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.358 1.940 -0.070 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.304 0.987 0.955 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.541 3.777 1.671 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.291 4.756 2.447 1.00 0.00 H new ATOM 1035 N ILE A 69 6.619 -0.519 -0.806 1.00 0.00 N ATOM 1036 CA ILE A 69 5.947 -1.671 -1.475 1.00 0.00 C ATOM 1037 C ILE A 69 6.994 -2.678 -1.979 1.00 0.00 C ATOM 1038 O ILE A 69 6.754 -3.868 -2.025 1.00 0.00 O ATOM 1039 CB ILE A 69 5.128 -1.125 -2.657 1.00 0.00 C ATOM 1040 CG1 ILE A 69 3.723 -0.759 -2.170 1.00 0.00 C ATOM 1041 CG2 ILE A 69 5.011 -2.171 -3.772 1.00 0.00 C ATOM 1042 CD1 ILE A 69 3.181 0.405 -3.002 1.00 0.00 C ATOM 0 H ILE A 69 6.207 0.394 -0.996 1.00 0.00 H new ATOM 0 HA ILE A 69 5.295 -2.185 -0.769 1.00 0.00 H new ATOM 0 HB ILE A 69 5.636 -0.246 -3.053 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.061 -1.621 -2.256 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.752 -0.484 -1.116 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.427 -1.761 -4.596 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.006 -2.436 -4.129 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.516 -3.062 -3.385 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.181 0.665 -2.655 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.839 1.267 -2.893 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.137 0.113 -4.051 1.00 0.00 H new ATOM 1054 N LYS A 70 8.146 -2.206 -2.377 1.00 0.00 N ATOM 1055 CA LYS A 70 9.194 -3.132 -2.900 1.00 0.00 C ATOM 1056 C LYS A 70 10.124 -3.580 -1.767 1.00 0.00 C ATOM 1057 O LYS A 70 10.079 -4.717 -1.340 1.00 0.00 O ATOM 1058 CB LYS A 70 10.009 -2.416 -3.981 1.00 0.00 C ATOM 1059 CG LYS A 70 10.524 -3.441 -4.995 1.00 0.00 C ATOM 1060 CD LYS A 70 11.351 -4.502 -4.269 1.00 0.00 C ATOM 1061 CE LYS A 70 12.097 -5.359 -5.294 1.00 0.00 C ATOM 1062 NZ LYS A 70 13.545 -5.404 -4.941 1.00 0.00 N ATOM 0 H LYS A 70 8.407 -1.220 -2.363 1.00 0.00 H new ATOM 0 HA LYS A 70 8.711 -4.012 -3.324 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.392 -1.671 -4.483 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.846 -1.884 -3.528 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.687 -3.908 -5.513 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.132 -2.946 -5.753 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.061 -4.025 -3.593 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.702 -5.129 -3.659 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.684 -6.368 -5.311 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.968 -4.945 -6.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.924 -6.350 -5.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.061 -4.694 -5.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.662 -5.199 -3.928 1.00 0.00 H new ATOM 1076 N GLN A 71 10.982 -2.705 -1.300 1.00 0.00 N ATOM 1077 CA GLN A 71 11.938 -3.074 -0.209 1.00 0.00 C ATOM 1078 C GLN A 71 11.283 -4.049 0.773 1.00 0.00 C ATOM 1079 O GLN A 71 11.938 -4.875 1.377 1.00 0.00 O ATOM 1080 CB GLN A 71 12.338 -1.805 0.549 1.00 0.00 C ATOM 1081 CG GLN A 71 13.729 -1.359 0.097 1.00 0.00 C ATOM 1082 CD GLN A 71 13.600 -0.403 -1.091 1.00 0.00 C ATOM 1083 OE1 GLN A 71 13.959 0.753 -0.995 1.00 0.00 O ATOM 1084 NE2 GLN A 71 13.101 -0.839 -2.215 1.00 0.00 N ATOM 0 H GLN A 71 11.061 -1.743 -1.631 1.00 0.00 H new ATOM 0 HA GLN A 71 12.813 -3.550 -0.652 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.612 -1.013 0.363 1.00 0.00 H new ATOM 0 HB3 GLN A 71 12.336 -1.994 1.623 1.00 0.00 H new ATOM 0 HG2 GLN A 71 14.249 -0.866 0.919 1.00 0.00 H new ATOM 0 HG3 GLN A 71 14.327 -2.226 -0.184 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.799 -1.810 -2.296 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.013 -0.209 -3.012 1.00 0.00 H new ATOM 1093 N ARG A 72 9.996 -3.946 0.943 1.00 0.00 N ATOM 1094 CA ARG A 72 9.283 -4.844 1.890 1.00 0.00 C ATOM 1095 C ARG A 72 8.643 -6.014 1.136 1.00 0.00 C ATOM 1096 O ARG A 72 8.917 -7.162 1.419 1.00 0.00 O ATOM 1097 CB ARG A 72 8.187 -4.047 2.599 1.00 0.00 C ATOM 1098 CG ARG A 72 8.795 -3.259 3.761 1.00 0.00 C ATOM 1099 CD ARG A 72 9.393 -4.228 4.780 1.00 0.00 C ATOM 1100 NE ARG A 72 8.877 -3.899 6.139 1.00 0.00 N ATOM 1101 CZ ARG A 72 9.565 -4.230 7.197 1.00 0.00 C ATOM 1102 NH1 ARG A 72 10.610 -5.003 7.084 1.00 0.00 N ATOM 1103 NH2 ARG A 72 9.207 -3.786 8.372 1.00 0.00 N ATOM 0 H ARG A 72 9.402 -3.271 0.461 1.00 0.00 H new ATOM 0 HA ARG A 72 9.996 -5.237 2.614 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.706 -3.366 1.897 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.414 -4.721 2.969 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.566 -2.583 3.391 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.031 -2.643 4.235 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.133 -5.254 4.519 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.481 -4.162 4.766 1.00 0.00 H new ATOM 0 HE ARG A 72 7.985 -3.415 6.242 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.891 -5.350 6.167 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.146 -5.260 7.913 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.390 -3.181 8.462 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.744 -4.044 9.200 1.00 0.00 H new ATOM 1117 N HIS A 73 7.777 -5.731 0.194 1.00 0.00 N ATOM 1118 CA HIS A 73 7.099 -6.827 -0.569 1.00 0.00 C ATOM 1119 C HIS A 73 7.820 -7.040 -1.912 1.00 0.00 C ATOM 1120 O HIS A 73 8.114 -6.085 -2.603 1.00 0.00 O ATOM 1121 CB HIS A 73 5.642 -6.429 -0.826 1.00 0.00 C ATOM 1122 CG HIS A 73 4.900 -6.325 0.481 1.00 0.00 C ATOM 1123 ND1 HIS A 73 5.547 -6.367 1.707 1.00 0.00 N ATOM 1124 CD2 HIS A 73 3.565 -6.174 0.768 1.00 0.00 C ATOM 1125 CE1 HIS A 73 4.611 -6.241 2.663 1.00 0.00 C ATOM 1126 NE2 HIS A 73 3.387 -6.120 2.145 1.00 0.00 N ATOM 0 H HIS A 73 7.509 -4.786 -0.081 1.00 0.00 H new ATOM 0 HA HIS A 73 7.131 -7.752 0.007 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.604 -5.475 -1.352 1.00 0.00 H new ATOM 0 HB3 HIS A 73 5.162 -7.167 -1.469 1.00 0.00 H new ATOM 0 HD1 HIS A 73 6.550 -6.474 1.856 1.00 0.00 H new ATOM 0 HD2 HIS A 73 2.774 -6.107 0.035 1.00 0.00 H new ATOM 0 HE1 HIS A 73 4.823 -6.238 3.722 1.00 0.00 H new ATOM 1134 N PRO A 74 8.096 -8.288 -2.242 1.00 0.00 N ATOM 1135 CA PRO A 74 8.802 -8.513 -3.529 1.00 0.00 C ATOM 1136 C PRO A 74 8.237 -9.722 -4.298 1.00 0.00 C ATOM 1137 O PRO A 74 8.738 -10.080 -5.345 1.00 0.00 O ATOM 1138 CB PRO A 74 10.239 -8.810 -3.111 1.00 0.00 C ATOM 1139 CG PRO A 74 10.179 -9.329 -1.660 1.00 0.00 C ATOM 1140 CD PRO A 74 8.800 -8.942 -1.108 1.00 0.00 C ATOM 0 HA PRO A 74 8.699 -7.655 -4.193 1.00 0.00 H new ATOM 0 HB2 PRO A 74 10.688 -9.553 -3.770 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.855 -7.913 -3.176 1.00 0.00 H new ATOM 0 HG2 PRO A 74 10.318 -10.410 -1.630 1.00 0.00 H new ATOM 0 HG3 PRO A 74 10.974 -8.888 -1.058 1.00 0.00 H new ATOM 0 HD2 PRO A 74 8.255 -9.819 -0.759 1.00 0.00 H new ATOM 0 HD3 PRO A 74 8.892 -8.265 -0.258 1.00 0.00 H new ATOM 1148 N MET A 75 7.231 -10.374 -3.784 1.00 0.00 N ATOM 1149 CA MET A 75 6.679 -11.579 -4.478 1.00 0.00 C ATOM 1150 C MET A 75 5.968 -11.232 -5.803 1.00 0.00 C ATOM 1151 O MET A 75 5.374 -12.091 -6.424 1.00 0.00 O ATOM 1152 CB MET A 75 5.697 -12.279 -3.542 1.00 0.00 C ATOM 1153 CG MET A 75 6.439 -13.362 -2.765 1.00 0.00 C ATOM 1154 SD MET A 75 5.675 -13.579 -1.140 1.00 0.00 S ATOM 1155 CE MET A 75 7.187 -13.389 -0.166 1.00 0.00 C ATOM 0 H MET A 75 6.764 -10.126 -2.912 1.00 0.00 H new ATOM 0 HA MET A 75 7.517 -12.231 -4.727 1.00 0.00 H new ATOM 0 HB2 MET A 75 5.254 -11.559 -2.854 1.00 0.00 H new ATOM 0 HB3 MET A 75 4.880 -12.719 -4.114 1.00 0.00 H new ATOM 0 HG2 MET A 75 6.414 -14.301 -3.318 1.00 0.00 H new ATOM 0 HG3 MET A 75 7.488 -13.087 -2.651 1.00 0.00 H new ATOM 0 HE1 MET A 75 6.952 -13.488 0.894 1.00 0.00 H new ATOM 0 HE2 MET A 75 7.903 -14.159 -0.452 1.00 0.00 H new ATOM 0 HE3 MET A 75 7.618 -12.405 -0.352 1.00 0.00 H new ATOM 1165 N LEU A 76 6.027 -10.009 -6.264 1.00 0.00 N ATOM 1166 CA LEU A 76 5.355 -9.681 -7.561 1.00 0.00 C ATOM 1167 C LEU A 76 5.892 -8.354 -8.106 1.00 0.00 C ATOM 1168 O LEU A 76 6.721 -7.721 -7.484 1.00 0.00 O ATOM 1169 CB LEU A 76 3.838 -9.590 -7.368 1.00 0.00 C ATOM 1170 CG LEU A 76 3.513 -8.951 -6.026 1.00 0.00 C ATOM 1171 CD1 LEU A 76 2.728 -7.659 -6.256 1.00 0.00 C ATOM 1172 CD2 LEU A 76 2.666 -9.924 -5.207 1.00 0.00 C ATOM 0 H LEU A 76 6.504 -9.232 -5.807 1.00 0.00 H new ATOM 0 HA LEU A 76 5.569 -10.475 -8.276 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.397 -9.004 -8.174 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.398 -10.586 -7.420 1.00 0.00 H new ATOM 0 HG LEU A 76 4.434 -8.722 -5.490 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.494 -7.200 -5.296 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.327 -6.970 -6.851 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.802 -7.885 -6.785 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.427 -9.476 -4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.743 -10.144 -5.744 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.223 -10.848 -5.050 1.00 0.00 H new ATOM 1184 N PRO A 77 5.409 -7.983 -9.266 1.00 0.00 N ATOM 1185 CA PRO A 77 5.897 -6.719 -9.865 1.00 0.00 C ATOM 1186 C PRO A 77 5.082 -5.523 -9.366 1.00 0.00 C ATOM 1187 O PRO A 77 4.008 -5.670 -8.813 1.00 0.00 O ATOM 1188 CB PRO A 77 5.697 -6.902 -11.369 1.00 0.00 C ATOM 1189 CG PRO A 77 4.604 -7.972 -11.527 1.00 0.00 C ATOM 1190 CD PRO A 77 4.583 -8.772 -10.219 1.00 0.00 C ATOM 0 HA PRO A 77 6.935 -6.519 -9.600 1.00 0.00 H new ATOM 0 HB2 PRO A 77 5.396 -5.966 -11.839 1.00 0.00 H new ATOM 0 HB3 PRO A 77 6.623 -7.217 -11.850 1.00 0.00 H new ATOM 0 HG2 PRO A 77 3.634 -7.511 -11.715 1.00 0.00 H new ATOM 0 HG3 PRO A 77 4.818 -8.622 -12.376 1.00 0.00 H new ATOM 0 HD2 PRO A 77 3.565 -8.895 -9.849 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.994 -9.772 -10.362 1.00 0.00 H new ATOM 1198 N VAL A 78 5.590 -4.338 -9.566 1.00 0.00 N ATOM 1199 CA VAL A 78 4.865 -3.119 -9.120 1.00 0.00 C ATOM 1200 C VAL A 78 4.934 -2.069 -10.231 1.00 0.00 C ATOM 1201 O VAL A 78 5.921 -1.963 -10.934 1.00 0.00 O ATOM 1202 CB VAL A 78 5.515 -2.557 -7.851 1.00 0.00 C ATOM 1203 CG1 VAL A 78 4.665 -2.927 -6.635 1.00 0.00 C ATOM 1204 CG2 VAL A 78 6.925 -3.132 -7.677 1.00 0.00 C ATOM 0 H VAL A 78 6.485 -4.163 -10.024 1.00 0.00 H new ATOM 0 HA VAL A 78 3.827 -3.372 -8.905 1.00 0.00 H new ATOM 0 HB VAL A 78 5.581 -1.473 -7.940 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.127 -2.527 -5.733 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.666 -2.506 -6.748 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.595 -4.012 -6.557 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.375 -2.724 -6.772 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.868 -4.218 -7.597 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.536 -2.864 -8.539 1.00 0.00 H new ATOM 1214 N ILE A 79 3.900 -1.292 -10.402 1.00 0.00 N ATOM 1215 CA ILE A 79 3.926 -0.254 -11.474 1.00 0.00 C ATOM 1216 C ILE A 79 3.327 1.050 -10.945 1.00 0.00 C ATOM 1217 O ILE A 79 2.667 1.073 -9.927 1.00 0.00 O ATOM 1218 CB ILE A 79 3.117 -0.738 -12.681 1.00 0.00 C ATOM 1219 CG1 ILE A 79 3.881 -1.859 -13.388 1.00 0.00 C ATOM 1220 CG2 ILE A 79 2.905 0.423 -13.655 1.00 0.00 C ATOM 1221 CD1 ILE A 79 3.602 -3.189 -12.684 1.00 0.00 C ATOM 0 H ILE A 79 3.043 -1.329 -9.850 1.00 0.00 H new ATOM 0 HA ILE A 79 4.958 -0.079 -11.778 1.00 0.00 H new ATOM 0 HB ILE A 79 2.150 -1.110 -12.343 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.577 -1.918 -14.433 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.950 -1.647 -13.378 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.329 0.077 -14.513 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.363 1.224 -13.153 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.872 0.796 -13.993 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.146 -3.988 -13.187 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.928 -3.126 -11.646 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.533 -3.401 -12.717 1.00 0.00 H new ATOM 1233 N ILE A 80 3.558 2.140 -11.628 1.00 0.00 N ATOM 1234 CA ILE A 80 3.009 3.446 -11.165 1.00 0.00 C ATOM 1235 C ILE A 80 2.560 4.269 -12.376 1.00 0.00 C ATOM 1236 O ILE A 80 3.018 4.061 -13.481 1.00 0.00 O ATOM 1237 CB ILE A 80 4.098 4.211 -10.408 1.00 0.00 C ATOM 1238 CG1 ILE A 80 3.576 5.595 -10.018 1.00 0.00 C ATOM 1239 CG2 ILE A 80 5.327 4.367 -11.305 1.00 0.00 C ATOM 1240 CD1 ILE A 80 4.588 6.282 -9.100 1.00 0.00 C ATOM 0 H ILE A 80 4.105 2.181 -12.488 1.00 0.00 H new ATOM 0 HA ILE A 80 2.157 3.272 -10.508 1.00 0.00 H new ATOM 0 HB ILE A 80 4.369 3.659 -9.508 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.411 6.198 -10.911 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.614 5.504 -9.513 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.103 4.912 -10.767 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.701 3.382 -11.584 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.053 4.919 -12.204 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.216 7.268 -8.822 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.731 5.681 -8.202 1.00 0.00 H new ATOM 0 HD13 ILE A 80 5.540 6.387 -9.621 1.00 0.00 H new ATOM 1252 N MET A 81 1.670 5.204 -12.176 1.00 0.00 N ATOM 1253 CA MET A 81 1.202 6.039 -13.319 1.00 0.00 C ATOM 1254 C MET A 81 2.210 7.160 -13.574 1.00 0.00 C ATOM 1255 O MET A 81 3.077 7.424 -12.763 1.00 0.00 O ATOM 1256 CB MET A 81 -0.162 6.650 -12.986 1.00 0.00 C ATOM 1257 CG MET A 81 -1.264 5.632 -13.284 1.00 0.00 C ATOM 1258 SD MET A 81 -1.221 4.317 -12.040 1.00 0.00 S ATOM 1259 CE MET A 81 -2.513 3.273 -12.762 1.00 0.00 C ATOM 0 H MET A 81 1.248 5.425 -11.274 1.00 0.00 H new ATOM 0 HA MET A 81 1.112 5.416 -14.209 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.195 6.941 -11.936 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.320 7.555 -13.573 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.238 6.122 -13.278 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.125 5.210 -14.280 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.127 2.851 -11.966 1.00 0.00 H new ATOM 0 HE2 MET A 81 -3.138 3.873 -13.423 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.052 2.466 -13.331 1.00 0.00 H new ATOM 1269 N THR A 82 2.108 7.821 -14.694 1.00 0.00 N ATOM 1270 CA THR A 82 3.063 8.924 -14.997 1.00 0.00 C ATOM 1271 C THR A 82 2.765 10.122 -14.094 1.00 0.00 C ATOM 1272 O THR A 82 1.831 10.865 -14.319 1.00 0.00 O ATOM 1273 CB THR A 82 2.921 9.340 -16.465 1.00 0.00 C ATOM 1274 OG1 THR A 82 2.239 8.322 -17.183 1.00 0.00 O ATOM 1275 CG2 THR A 82 4.306 9.555 -17.073 1.00 0.00 C ATOM 0 H THR A 82 1.405 7.645 -15.412 1.00 0.00 H new ATOM 0 HA THR A 82 4.081 8.579 -14.817 1.00 0.00 H new ATOM 0 HB THR A 82 2.353 10.268 -16.525 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.881 8.693 -18.016 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.203 9.851 -18.117 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.827 10.339 -16.523 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.877 8.629 -17.013 1.00 0.00 H new ATOM 1283 N ALA A 83 3.555 10.314 -13.073 1.00 0.00 N ATOM 1284 CA ALA A 83 3.322 11.462 -12.152 1.00 0.00 C ATOM 1285 C ALA A 83 4.222 12.630 -12.553 1.00 0.00 C ATOM 1286 O ALA A 83 4.579 12.789 -13.703 1.00 0.00 O ATOM 1287 CB ALA A 83 3.651 11.041 -10.719 1.00 0.00 C ATOM 0 H ALA A 83 4.353 9.724 -12.837 1.00 0.00 H new ATOM 0 HA ALA A 83 2.278 11.768 -12.213 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.481 11.881 -10.045 1.00 0.00 H new ATOM 0 HB2 ALA A 83 3.012 10.207 -10.429 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.695 10.735 -10.660 1.00 0.00 H new ATOM 1293 N HIS A 84 4.596 13.448 -11.608 1.00 0.00 N ATOM 1294 CA HIS A 84 5.475 14.607 -11.927 1.00 0.00 C ATOM 1295 C HIS A 84 6.442 14.843 -10.764 1.00 0.00 C ATOM 1296 O HIS A 84 6.824 15.960 -10.479 1.00 0.00 O ATOM 1297 CB HIS A 84 4.616 15.856 -12.140 1.00 0.00 C ATOM 1298 CG HIS A 84 5.194 16.686 -13.254 1.00 0.00 C ATOM 1299 ND1 HIS A 84 4.401 17.467 -14.080 1.00 0.00 N ATOM 1300 CD2 HIS A 84 6.482 16.868 -13.688 1.00 0.00 C ATOM 1301 CE1 HIS A 84 5.214 18.079 -14.962 1.00 0.00 C ATOM 1302 NE2 HIS A 84 6.493 17.748 -14.767 1.00 0.00 N ATOM 0 H HIS A 84 4.330 13.363 -10.627 1.00 0.00 H new ATOM 0 HA HIS A 84 6.040 14.398 -12.835 1.00 0.00 H new ATOM 0 HB2 HIS A 84 3.593 15.568 -12.381 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.574 16.441 -11.221 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.355 16.400 -13.258 1.00 0.00 H new ATOM 0 HE1 HIS A 84 4.873 18.755 -15.733 1.00 0.00 H new ATOM 0 HE2 HIS A 84 7.304 18.071 -15.295 1.00 0.00 H new ATOM 1310 N SER A 85 6.838 13.798 -10.086 1.00 0.00 N ATOM 1311 CA SER A 85 7.777 13.969 -8.941 1.00 0.00 C ATOM 1312 C SER A 85 8.153 12.598 -8.368 1.00 0.00 C ATOM 1313 O SER A 85 9.260 12.387 -7.913 1.00 0.00 O ATOM 1314 CB SER A 85 7.103 14.815 -7.857 1.00 0.00 C ATOM 1315 OG SER A 85 6.759 13.992 -6.752 1.00 0.00 O ATOM 0 H SER A 85 6.553 12.837 -10.275 1.00 0.00 H new ATOM 0 HA SER A 85 8.682 14.470 -9.285 1.00 0.00 H new ATOM 0 HB2 SER A 85 7.774 15.612 -7.535 1.00 0.00 H new ATOM 0 HB3 SER A 85 6.210 15.293 -8.259 1.00 0.00 H new ATOM 0 HG SER A 85 6.330 14.537 -6.060 1.00 0.00 H new ATOM 1321 N ASP A 86 7.240 11.663 -8.379 1.00 0.00 N ATOM 1322 CA ASP A 86 7.551 10.312 -7.828 1.00 0.00 C ATOM 1323 C ASP A 86 8.866 9.800 -8.427 1.00 0.00 C ATOM 1324 O ASP A 86 9.528 8.958 -7.854 1.00 0.00 O ATOM 1325 CB ASP A 86 6.411 9.344 -8.167 1.00 0.00 C ATOM 1326 CG ASP A 86 6.513 8.905 -9.632 1.00 0.00 C ATOM 1327 OD1 ASP A 86 7.496 8.266 -9.971 1.00 0.00 O ATOM 1328 OD2 ASP A 86 5.605 9.211 -10.386 1.00 0.00 O ATOM 0 H ASP A 86 6.295 11.776 -8.745 1.00 0.00 H new ATOM 0 HA ASP A 86 7.655 10.378 -6.745 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.457 8.473 -7.514 1.00 0.00 H new ATOM 0 HB3 ASP A 86 5.449 9.825 -7.989 1.00 0.00 H new ATOM 1333 N LEU A 87 9.228 10.293 -9.583 1.00 0.00 N ATOM 1334 CA LEU A 87 10.486 9.845 -10.258 1.00 0.00 C ATOM 1335 C LEU A 87 11.583 9.544 -9.228 1.00 0.00 C ATOM 1336 O LEU A 87 12.445 8.722 -9.457 1.00 0.00 O ATOM 1337 CB LEU A 87 10.969 10.956 -11.193 1.00 0.00 C ATOM 1338 CG LEU A 87 11.437 10.339 -12.512 1.00 0.00 C ATOM 1339 CD1 LEU A 87 10.247 9.695 -13.222 1.00 0.00 C ATOM 1340 CD2 LEU A 87 12.031 11.432 -13.405 1.00 0.00 C ATOM 0 H LEU A 87 8.698 10.997 -10.096 1.00 0.00 H new ATOM 0 HA LEU A 87 10.278 8.934 -10.820 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.164 11.668 -11.377 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.784 11.510 -10.728 1.00 0.00 H new ATOM 0 HG LEU A 87 12.195 9.582 -12.310 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.579 9.255 -14.162 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.822 8.917 -12.587 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.490 10.453 -13.424 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.365 10.992 -14.345 1.00 0.00 H new ATOM 0 HD22 LEU A 87 11.273 12.189 -13.607 1.00 0.00 H new ATOM 0 HD23 LEU A 87 12.879 11.894 -12.899 1.00 0.00 H new ATOM 1352 N ASP A 88 11.567 10.205 -8.104 1.00 0.00 N ATOM 1353 CA ASP A 88 12.616 9.950 -7.075 1.00 0.00 C ATOM 1354 C ASP A 88 12.588 8.475 -6.656 1.00 0.00 C ATOM 1355 O ASP A 88 13.565 7.766 -6.785 1.00 0.00 O ATOM 1356 CB ASP A 88 12.352 10.833 -5.854 1.00 0.00 C ATOM 1357 CG ASP A 88 13.559 10.783 -4.914 1.00 0.00 C ATOM 1358 OD1 ASP A 88 14.642 10.478 -5.388 1.00 0.00 O ATOM 1359 OD2 ASP A 88 13.380 11.050 -3.737 1.00 0.00 O ATOM 0 H ASP A 88 10.874 10.910 -7.853 1.00 0.00 H new ATOM 0 HA ASP A 88 13.595 10.184 -7.493 1.00 0.00 H new ATOM 0 HB2 ASP A 88 12.166 11.860 -6.169 1.00 0.00 H new ATOM 0 HB3 ASP A 88 11.458 10.492 -5.332 1.00 0.00 H new ATOM 1364 N ALA A 89 11.476 8.011 -6.148 1.00 0.00 N ATOM 1365 CA ALA A 89 11.385 6.585 -5.712 1.00 0.00 C ATOM 1366 C ALA A 89 11.220 5.675 -6.932 1.00 0.00 C ATOM 1367 O ALA A 89 11.848 4.640 -7.034 1.00 0.00 O ATOM 1368 CB ALA A 89 10.175 6.412 -4.793 1.00 0.00 C ATOM 0 H ALA A 89 10.626 8.559 -6.016 1.00 0.00 H new ATOM 0 HA ALA A 89 12.298 6.316 -5.181 1.00 0.00 H new ATOM 0 HB1 ALA A 89 10.106 5.372 -4.474 1.00 0.00 H new ATOM 0 HB2 ALA A 89 10.287 7.054 -3.919 1.00 0.00 H new ATOM 0 HB3 ALA A 89 9.268 6.687 -5.331 1.00 0.00 H new ATOM 1374 N ALA A 90 10.371 6.043 -7.852 1.00 0.00 N ATOM 1375 CA ALA A 90 10.162 5.190 -9.057 1.00 0.00 C ATOM 1376 C ALA A 90 11.512 4.837 -9.678 1.00 0.00 C ATOM 1377 O ALA A 90 11.731 3.721 -10.105 1.00 0.00 O ATOM 1378 CB ALA A 90 9.317 5.948 -10.081 1.00 0.00 C ATOM 0 H ALA A 90 9.813 6.897 -7.822 1.00 0.00 H new ATOM 0 HA ALA A 90 9.647 4.275 -8.764 1.00 0.00 H new ATOM 0 HB1 ALA A 90 9.165 5.323 -10.961 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.351 6.198 -9.642 1.00 0.00 H new ATOM 0 HB3 ALA A 90 9.832 6.864 -10.371 1.00 0.00 H new ATOM 1384 N VAL A 91 12.406 5.792 -9.743 1.00 0.00 N ATOM 1385 CA VAL A 91 13.753 5.549 -10.346 1.00 0.00 C ATOM 1386 C VAL A 91 14.194 4.111 -10.077 1.00 0.00 C ATOM 1387 O VAL A 91 14.740 3.445 -10.933 1.00 0.00 O ATOM 1388 CB VAL A 91 14.758 6.534 -9.729 1.00 0.00 C ATOM 1389 CG1 VAL A 91 15.360 5.963 -8.438 1.00 0.00 C ATOM 1390 CG2 VAL A 91 15.879 6.805 -10.734 1.00 0.00 C ATOM 0 H VAL A 91 12.258 6.741 -9.400 1.00 0.00 H new ATOM 0 HA VAL A 91 13.707 5.700 -11.424 1.00 0.00 H new ATOM 0 HB VAL A 91 14.236 7.460 -9.488 1.00 0.00 H new ATOM 0 HG11 VAL A 91 16.068 6.678 -8.020 1.00 0.00 H new ATOM 0 HG12 VAL A 91 14.564 5.776 -7.717 1.00 0.00 H new ATOM 0 HG13 VAL A 91 15.876 5.029 -8.659 1.00 0.00 H new ATOM 0 HG21 VAL A 91 16.595 7.504 -10.301 1.00 0.00 H new ATOM 0 HG22 VAL A 91 16.385 5.870 -10.976 1.00 0.00 H new ATOM 0 HG23 VAL A 91 15.457 7.235 -11.643 1.00 0.00 H new ATOM 1400 N SER A 92 13.955 3.637 -8.888 1.00 0.00 N ATOM 1401 CA SER A 92 14.347 2.245 -8.538 1.00 0.00 C ATOM 1402 C SER A 92 13.555 1.262 -9.402 1.00 0.00 C ATOM 1403 O SER A 92 12.516 0.768 -9.008 1.00 0.00 O ATOM 1404 CB SER A 92 14.042 1.989 -7.063 1.00 0.00 C ATOM 1405 OG SER A 92 14.779 0.857 -6.620 1.00 0.00 O ATOM 0 H SER A 92 13.501 4.158 -8.138 1.00 0.00 H new ATOM 0 HA SER A 92 15.413 2.109 -8.718 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.305 2.864 -6.468 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.974 1.819 -6.925 1.00 0.00 H new ATOM 0 HG SER A 92 14.586 0.691 -5.673 1.00 0.00 H new ATOM 1411 N ALA A 93 14.043 0.971 -10.574 1.00 0.00 N ATOM 1412 CA ALA A 93 13.338 0.018 -11.472 1.00 0.00 C ATOM 1413 C ALA A 93 14.386 -0.747 -12.276 1.00 0.00 C ATOM 1414 O ALA A 93 14.356 -1.959 -12.367 1.00 0.00 O ATOM 1415 CB ALA A 93 12.418 0.789 -12.422 1.00 0.00 C ATOM 0 H ALA A 93 14.909 1.357 -10.951 1.00 0.00 H new ATOM 0 HA ALA A 93 12.735 -0.675 -10.886 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.903 0.088 -13.079 1.00 0.00 H new ATOM 0 HB2 ALA A 93 11.684 1.350 -11.843 1.00 0.00 H new ATOM 0 HB3 ALA A 93 13.011 1.479 -13.022 1.00 0.00 H new ATOM 1421 N TYR A 94 15.328 -0.045 -12.846 1.00 0.00 N ATOM 1422 CA TYR A 94 16.399 -0.723 -13.625 1.00 0.00 C ATOM 1423 C TYR A 94 17.338 -1.429 -12.647 1.00 0.00 C ATOM 1424 O TYR A 94 18.079 -2.322 -13.007 1.00 0.00 O ATOM 1425 CB TYR A 94 17.184 0.319 -14.425 1.00 0.00 C ATOM 1426 CG TYR A 94 17.640 -0.284 -15.732 1.00 0.00 C ATOM 1427 CD1 TYR A 94 16.708 -0.546 -16.745 1.00 0.00 C ATOM 1428 CD2 TYR A 94 18.993 -0.580 -15.932 1.00 0.00 C ATOM 1429 CE1 TYR A 94 17.131 -1.104 -17.956 1.00 0.00 C ATOM 1430 CE2 TYR A 94 19.415 -1.139 -17.145 1.00 0.00 C ATOM 1431 CZ TYR A 94 18.484 -1.400 -18.157 1.00 0.00 C ATOM 1432 OH TYR A 94 18.901 -1.950 -19.352 1.00 0.00 O ATOM 0 H TYR A 94 15.401 0.972 -12.804 1.00 0.00 H new ATOM 0 HA TYR A 94 15.962 -1.447 -14.312 1.00 0.00 H new ATOM 0 HB2 TYR A 94 16.560 1.193 -14.614 1.00 0.00 H new ATOM 0 HB3 TYR A 94 18.045 0.660 -13.850 1.00 0.00 H new ATOM 0 HD1 TYR A 94 15.664 -0.317 -16.591 1.00 0.00 H new ATOM 0 HD2 TYR A 94 19.711 -0.378 -15.151 1.00 0.00 H new ATOM 0 HE1 TYR A 94 16.413 -1.307 -18.737 1.00 0.00 H new ATOM 0 HE2 TYR A 94 20.459 -1.369 -17.299 1.00 0.00 H new ATOM 0 HH TYR A 94 19.870 -2.092 -19.326 1.00 0.00 H new ATOM 1442 N GLN A 95 17.303 -1.030 -11.405 1.00 0.00 N ATOM 1443 CA GLN A 95 18.179 -1.666 -10.383 1.00 0.00 C ATOM 1444 C GLN A 95 17.705 -3.101 -10.136 1.00 0.00 C ATOM 1445 O GLN A 95 18.382 -3.892 -9.511 1.00 0.00 O ATOM 1446 CB GLN A 95 18.093 -0.865 -9.080 1.00 0.00 C ATOM 1447 CG GLN A 95 19.433 -0.177 -8.805 1.00 0.00 C ATOM 1448 CD GLN A 95 20.559 -1.211 -8.835 1.00 0.00 C ATOM 1449 OE1 GLN A 95 20.529 -2.181 -8.104 1.00 0.00 O ATOM 1450 NE2 GLN A 95 21.562 -1.042 -9.653 1.00 0.00 N ATOM 0 H GLN A 95 16.701 -0.286 -11.053 1.00 0.00 H new ATOM 0 HA GLN A 95 19.211 -1.680 -10.735 1.00 0.00 H new ATOM 0 HB2 GLN A 95 17.300 -0.121 -9.151 1.00 0.00 H new ATOM 0 HB3 GLN A 95 17.836 -1.526 -8.252 1.00 0.00 H new ATOM 0 HG2 GLN A 95 19.616 0.596 -9.552 1.00 0.00 H new ATOM 0 HG3 GLN A 95 19.406 0.318 -7.834 1.00 0.00 H new ATOM 0 HE21 GLN A 95 21.588 -0.228 -10.267 1.00 0.00 H new ATOM 0 HE22 GLN A 95 22.320 -1.724 -9.678 1.00 0.00 H new ATOM 1459 N GLN A 96 16.542 -3.440 -10.626 1.00 0.00 N ATOM 1460 CA GLN A 96 16.016 -4.821 -10.423 1.00 0.00 C ATOM 1461 C GLN A 96 15.219 -5.247 -11.660 1.00 0.00 C ATOM 1462 O GLN A 96 15.403 -4.719 -12.738 1.00 0.00 O ATOM 1463 CB GLN A 96 15.109 -4.838 -9.191 1.00 0.00 C ATOM 1464 CG GLN A 96 13.975 -3.828 -9.376 1.00 0.00 C ATOM 1465 CD GLN A 96 13.926 -2.893 -8.167 1.00 0.00 C ATOM 1466 OE1 GLN A 96 14.089 -3.327 -7.044 1.00 0.00 O ATOM 1467 NE2 GLN A 96 13.707 -1.620 -8.350 1.00 0.00 N ATOM 0 H GLN A 96 15.933 -2.819 -11.159 1.00 0.00 H new ATOM 0 HA GLN A 96 16.844 -5.514 -10.272 1.00 0.00 H new ATOM 0 HB2 GLN A 96 14.699 -5.837 -9.042 1.00 0.00 H new ATOM 0 HB3 GLN A 96 15.686 -4.594 -8.299 1.00 0.00 H new ATOM 0 HG2 GLN A 96 14.131 -3.253 -10.289 1.00 0.00 H new ATOM 0 HG3 GLN A 96 13.024 -4.349 -9.486 1.00 0.00 H new ATOM 0 HE21 GLN A 96 13.570 -1.256 -9.293 1.00 0.00 H new ATOM 0 HE22 GLN A 96 13.673 -0.988 -7.550 1.00 0.00 H new ATOM 1476 N GLY A 97 14.334 -6.198 -11.517 1.00 0.00 N ATOM 1477 CA GLY A 97 13.532 -6.651 -12.691 1.00 0.00 C ATOM 1478 C GLY A 97 12.093 -6.927 -12.250 1.00 0.00 C ATOM 1479 O GLY A 97 11.641 -8.055 -12.243 1.00 0.00 O ATOM 0 H GLY A 97 14.132 -6.679 -10.641 1.00 0.00 H new ATOM 0 HA2 GLY A 97 13.545 -5.889 -13.470 1.00 0.00 H new ATOM 0 HA3 GLY A 97 13.971 -7.552 -13.119 1.00 0.00 H new ATOM 1483 N ALA A 98 11.370 -5.905 -11.883 1.00 0.00 N ATOM 1484 CA ALA A 98 9.960 -6.104 -11.441 1.00 0.00 C ATOM 1485 C ALA A 98 9.260 -4.747 -11.356 1.00 0.00 C ATOM 1486 O ALA A 98 8.684 -4.396 -10.345 1.00 0.00 O ATOM 1487 CB ALA A 98 9.947 -6.774 -10.065 1.00 0.00 C ATOM 0 H ALA A 98 11.695 -4.938 -11.870 1.00 0.00 H new ATOM 0 HA ALA A 98 9.438 -6.739 -12.157 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.917 -6.920 -9.741 1.00 0.00 H new ATOM 0 HB2 ALA A 98 10.448 -7.740 -10.126 1.00 0.00 H new ATOM 0 HB3 ALA A 98 10.467 -6.140 -9.347 1.00 0.00 H new ATOM 1493 N PHE A 99 9.308 -3.979 -12.410 1.00 0.00 N ATOM 1494 CA PHE A 99 8.649 -2.642 -12.390 1.00 0.00 C ATOM 1495 C PHE A 99 8.227 -2.256 -13.810 1.00 0.00 C ATOM 1496 O PHE A 99 8.676 -2.836 -14.781 1.00 0.00 O ATOM 1497 CB PHE A 99 9.634 -1.602 -11.854 1.00 0.00 C ATOM 1498 CG PHE A 99 9.653 -1.652 -10.345 1.00 0.00 C ATOM 1499 CD1 PHE A 99 10.434 -2.607 -9.683 1.00 0.00 C ATOM 1500 CD2 PHE A 99 8.890 -0.738 -9.606 1.00 0.00 C ATOM 1501 CE1 PHE A 99 10.452 -2.650 -8.283 1.00 0.00 C ATOM 1502 CE2 PHE A 99 8.908 -0.782 -8.207 1.00 0.00 C ATOM 1503 CZ PHE A 99 9.689 -1.737 -7.546 1.00 0.00 C ATOM 0 H PHE A 99 9.775 -4.219 -13.284 1.00 0.00 H new ATOM 0 HA PHE A 99 7.769 -2.680 -11.748 1.00 0.00 H new ATOM 0 HB2 PHE A 99 10.632 -1.796 -12.247 1.00 0.00 H new ATOM 0 HB3 PHE A 99 9.346 -0.606 -12.191 1.00 0.00 H new ATOM 0 HD1 PHE A 99 11.023 -3.311 -10.252 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.288 0.000 -10.116 1.00 0.00 H new ATOM 0 HE1 PHE A 99 11.054 -3.387 -7.773 1.00 0.00 H new ATOM 0 HE2 PHE A 99 8.319 -0.079 -7.637 1.00 0.00 H new ATOM 0 HZ PHE A 99 9.703 -1.769 -6.467 1.00 0.00 H new ATOM 1513 N ASP A 100 7.371 -1.279 -13.940 1.00 0.00 N ATOM 1514 CA ASP A 100 6.920 -0.849 -15.295 1.00 0.00 C ATOM 1515 C ASP A 100 6.384 0.583 -15.221 1.00 0.00 C ATOM 1516 O ASP A 100 6.712 1.330 -14.320 1.00 0.00 O ATOM 1517 CB ASP A 100 5.815 -1.785 -15.788 1.00 0.00 C ATOM 1518 CG ASP A 100 6.039 -2.106 -17.267 1.00 0.00 C ATOM 1519 OD1 ASP A 100 6.980 -1.573 -17.832 1.00 0.00 O ATOM 1520 OD2 ASP A 100 5.265 -2.878 -17.809 1.00 0.00 O ATOM 0 H ASP A 100 6.963 -0.758 -13.164 1.00 0.00 H new ATOM 0 HA ASP A 100 7.761 -0.888 -15.988 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.814 -2.704 -15.202 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.840 -1.318 -15.650 1.00 0.00 H new ATOM 1525 N TYR A 101 5.562 0.975 -16.158 1.00 0.00 N ATOM 1526 CA TYR A 101 5.011 2.361 -16.131 1.00 0.00 C ATOM 1527 C TYR A 101 3.654 2.394 -16.843 1.00 0.00 C ATOM 1528 O TYR A 101 3.449 1.731 -17.840 1.00 0.00 O ATOM 1529 CB TYR A 101 5.976 3.309 -16.845 1.00 0.00 C ATOM 1530 CG TYR A 101 7.164 3.592 -15.956 1.00 0.00 C ATOM 1531 CD1 TYR A 101 6.990 4.282 -14.750 1.00 0.00 C ATOM 1532 CD2 TYR A 101 8.441 3.166 -16.340 1.00 0.00 C ATOM 1533 CE1 TYR A 101 8.093 4.545 -13.929 1.00 0.00 C ATOM 1534 CE2 TYR A 101 9.545 3.431 -15.520 1.00 0.00 C ATOM 1535 CZ TYR A 101 9.370 4.120 -14.314 1.00 0.00 C ATOM 1536 OH TYR A 101 10.458 4.382 -13.505 1.00 0.00 O ATOM 0 H TYR A 101 5.249 0.397 -16.938 1.00 0.00 H new ATOM 0 HA TYR A 101 4.886 2.675 -15.095 1.00 0.00 H new ATOM 0 HB2 TYR A 101 6.309 2.865 -17.783 1.00 0.00 H new ATOM 0 HB3 TYR A 101 5.467 4.240 -17.096 1.00 0.00 H new ATOM 0 HD1 TYR A 101 6.005 4.611 -14.453 1.00 0.00 H new ATOM 0 HD2 TYR A 101 8.575 2.633 -17.269 1.00 0.00 H new ATOM 0 HE1 TYR A 101 7.959 5.076 -12.998 1.00 0.00 H new ATOM 0 HE2 TYR A 101 10.530 3.104 -15.818 1.00 0.00 H new ATOM 0 HH TYR A 101 11.268 4.018 -13.919 1.00 0.00 H new ATOM 1546 N LEU A 102 2.733 3.173 -16.342 1.00 0.00 N ATOM 1547 CA LEU A 102 1.393 3.267 -16.989 1.00 0.00 C ATOM 1548 C LEU A 102 1.081 4.740 -17.272 1.00 0.00 C ATOM 1549 O LEU A 102 1.377 5.597 -16.465 1.00 0.00 O ATOM 1550 CB LEU A 102 0.328 2.687 -16.056 1.00 0.00 C ATOM 1551 CG LEU A 102 -0.621 1.796 -16.859 1.00 0.00 C ATOM 1552 CD1 LEU A 102 -0.489 0.349 -16.385 1.00 0.00 C ATOM 1553 CD2 LEU A 102 -2.062 2.270 -16.653 1.00 0.00 C ATOM 0 H LEU A 102 2.852 3.750 -15.509 1.00 0.00 H new ATOM 0 HA LEU A 102 1.394 2.703 -17.922 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.801 2.110 -15.261 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.229 3.492 -15.577 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.365 1.856 -17.917 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.166 -0.285 -16.958 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.537 0.010 -16.531 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.744 0.288 -15.327 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.739 1.636 -17.225 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.317 2.211 -15.595 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.158 3.301 -16.992 1.00 0.00 H new ATOM 1565 N PRO A 103 0.499 4.989 -18.414 1.00 0.00 N ATOM 1566 CA PRO A 103 0.181 6.395 -18.750 1.00 0.00 C ATOM 1567 C PRO A 103 -1.334 6.606 -18.830 1.00 0.00 C ATOM 1568 O PRO A 103 -2.112 5.684 -18.690 1.00 0.00 O ATOM 1569 CB PRO A 103 0.826 6.617 -20.119 1.00 0.00 C ATOM 1570 CG PRO A 103 0.978 5.222 -20.755 1.00 0.00 C ATOM 1571 CD PRO A 103 0.906 4.205 -19.606 1.00 0.00 C ATOM 0 HA PRO A 103 0.549 7.092 -17.997 1.00 0.00 H new ATOM 0 HB2 PRO A 103 0.206 7.263 -20.741 1.00 0.00 H new ATOM 0 HB3 PRO A 103 1.795 7.106 -20.018 1.00 0.00 H new ATOM 0 HG2 PRO A 103 0.188 5.040 -21.483 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.926 5.140 -21.286 1.00 0.00 H new ATOM 0 HD2 PRO A 103 0.185 3.417 -19.823 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.870 3.721 -19.448 1.00 0.00 H new ATOM 1579 N LYS A 104 -1.752 7.823 -19.058 1.00 0.00 N ATOM 1580 CA LYS A 104 -3.211 8.114 -19.154 1.00 0.00 C ATOM 1581 C LYS A 104 -3.511 8.738 -20.524 1.00 0.00 C ATOM 1582 O LYS A 104 -2.625 9.278 -21.157 1.00 0.00 O ATOM 1583 CB LYS A 104 -3.607 9.100 -18.052 1.00 0.00 C ATOM 1584 CG LYS A 104 -4.202 8.337 -16.868 1.00 0.00 C ATOM 1585 CD LYS A 104 -4.773 9.335 -15.858 1.00 0.00 C ATOM 1586 CE LYS A 104 -3.649 10.240 -15.346 1.00 0.00 C ATOM 1587 NZ LYS A 104 -3.792 11.598 -15.946 1.00 0.00 N ATOM 0 H LYS A 104 -1.142 8.631 -19.182 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.777 7.190 -19.037 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.735 9.669 -17.729 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.332 9.818 -18.436 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -4.986 7.662 -17.212 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.436 7.722 -16.395 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -5.554 9.935 -16.325 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -5.234 8.803 -15.026 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -3.687 10.305 -14.259 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -2.679 9.816 -15.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -2.889 12.108 -15.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -4.057 11.509 -16.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -4.531 12.126 -15.438 1.00 0.00 H new ATOM 1601 N PRO A 105 -4.753 8.650 -20.941 1.00 0.00 N ATOM 1602 CA PRO A 105 -5.779 7.977 -20.111 1.00 0.00 C ATOM 1603 C PRO A 105 -5.837 6.486 -20.449 1.00 0.00 C ATOM 1604 O PRO A 105 -5.188 6.019 -21.363 1.00 0.00 O ATOM 1605 CB PRO A 105 -7.089 8.667 -20.491 1.00 0.00 C ATOM 1606 CG PRO A 105 -6.867 9.277 -21.888 1.00 0.00 C ATOM 1607 CD PRO A 105 -5.345 9.398 -22.076 1.00 0.00 C ATOM 0 HA PRO A 105 -5.569 8.048 -19.044 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -7.914 7.955 -20.504 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.346 9.439 -19.766 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.304 8.645 -22.661 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.346 10.253 -21.966 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.031 8.977 -23.031 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.029 10.441 -22.068 1.00 0.00 H new ATOM 1615 N PHE A 106 -6.611 5.737 -19.715 1.00 0.00 N ATOM 1616 CA PHE A 106 -6.710 4.278 -19.991 1.00 0.00 C ATOM 1617 C PHE A 106 -8.067 3.765 -19.510 1.00 0.00 C ATOM 1618 O PHE A 106 -8.725 4.387 -18.700 1.00 0.00 O ATOM 1619 CB PHE A 106 -5.599 3.544 -19.240 1.00 0.00 C ATOM 1620 CG PHE A 106 -5.758 3.781 -17.758 1.00 0.00 C ATOM 1621 CD1 PHE A 106 -5.321 4.985 -17.193 1.00 0.00 C ATOM 1622 CD2 PHE A 106 -6.345 2.800 -16.950 1.00 0.00 C ATOM 1623 CE1 PHE A 106 -5.469 5.208 -15.819 1.00 0.00 C ATOM 1624 CE2 PHE A 106 -6.492 3.022 -15.575 1.00 0.00 C ATOM 1625 CZ PHE A 106 -6.055 4.226 -15.010 1.00 0.00 C ATOM 0 H PHE A 106 -7.179 6.072 -18.937 1.00 0.00 H new ATOM 0 HA PHE A 106 -6.608 4.100 -21.062 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -5.642 2.476 -19.456 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -4.624 3.898 -19.574 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -4.870 5.742 -17.817 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -6.684 1.872 -17.387 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -5.132 6.137 -15.383 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -6.942 2.265 -14.951 1.00 0.00 H new ATOM 0 HZ PHE A 106 -6.170 4.398 -13.950 1.00 0.00 H new ATOM 1635 N ASP A 107 -8.486 2.628 -19.991 1.00 0.00 N ATOM 1636 CA ASP A 107 -9.790 2.072 -19.550 1.00 0.00 C ATOM 1637 C ASP A 107 -9.630 1.533 -18.126 1.00 0.00 C ATOM 1638 O ASP A 107 -8.873 2.065 -17.338 1.00 0.00 O ATOM 1639 CB ASP A 107 -10.186 0.940 -20.499 1.00 0.00 C ATOM 1640 CG ASP A 107 -11.705 0.760 -20.486 1.00 0.00 C ATOM 1641 OD1 ASP A 107 -12.335 1.259 -19.569 1.00 0.00 O ATOM 1642 OD2 ASP A 107 -12.213 0.122 -21.395 1.00 0.00 O ATOM 0 H ASP A 107 -7.979 2.061 -20.671 1.00 0.00 H new ATOM 0 HA ASP A 107 -10.564 2.839 -19.563 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -9.846 1.165 -21.510 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -9.698 0.013 -20.198 1.00 0.00 H new ATOM 1647 N ILE A 108 -10.320 0.481 -17.789 1.00 0.00 N ATOM 1648 CA ILE A 108 -10.184 -0.082 -16.419 1.00 0.00 C ATOM 1649 C ILE A 108 -9.699 -1.522 -16.526 1.00 0.00 C ATOM 1650 O ILE A 108 -8.582 -1.839 -16.168 1.00 0.00 O ATOM 1651 CB ILE A 108 -11.540 -0.044 -15.714 1.00 0.00 C ATOM 1652 CG1 ILE A 108 -11.896 1.403 -15.361 1.00 0.00 C ATOM 1653 CG2 ILE A 108 -11.474 -0.880 -14.434 1.00 0.00 C ATOM 1654 CD1 ILE A 108 -10.996 1.888 -14.223 1.00 0.00 C ATOM 0 H ILE A 108 -10.970 -0.012 -18.401 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.468 0.506 -15.844 1.00 0.00 H new ATOM 0 HB ILE A 108 -12.303 -0.453 -16.377 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -11.772 2.043 -16.235 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -12.943 1.469 -15.064 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -12.441 -0.853 -13.931 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -11.224 -1.911 -14.685 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -10.710 -0.473 -13.772 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -11.250 2.918 -13.972 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -11.143 1.255 -13.348 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -9.953 1.837 -14.537 1.00 0.00 H new ATOM 1666 N ASP A 109 -10.516 -2.394 -17.036 1.00 0.00 N ATOM 1667 CA ASP A 109 -10.083 -3.800 -17.185 1.00 0.00 C ATOM 1668 C ASP A 109 -8.863 -3.816 -18.085 1.00 0.00 C ATOM 1669 O ASP A 109 -7.865 -4.439 -17.791 1.00 0.00 O ATOM 1670 CB ASP A 109 -11.208 -4.594 -17.833 1.00 0.00 C ATOM 1671 CG ASP A 109 -10.867 -6.085 -17.819 1.00 0.00 C ATOM 1672 OD1 ASP A 109 -9.796 -6.433 -18.287 1.00 0.00 O ATOM 1673 OD2 ASP A 109 -11.684 -6.855 -17.341 1.00 0.00 O ATOM 0 H ASP A 109 -11.463 -2.192 -17.355 1.00 0.00 H new ATOM 0 HA ASP A 109 -9.843 -4.241 -16.217 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -12.142 -4.421 -17.299 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.360 -4.256 -18.858 1.00 0.00 H new ATOM 1678 N GLU A 110 -8.932 -3.108 -19.176 1.00 0.00 N ATOM 1679 CA GLU A 110 -7.771 -3.047 -20.097 1.00 0.00 C ATOM 1680 C GLU A 110 -6.506 -2.879 -19.258 1.00 0.00 C ATOM 1681 O GLU A 110 -5.494 -3.508 -19.501 1.00 0.00 O ATOM 1682 CB GLU A 110 -7.937 -1.851 -21.030 1.00 0.00 C ATOM 1683 CG GLU A 110 -6.663 -1.660 -21.857 1.00 0.00 C ATOM 1684 CD GLU A 110 -6.703 -0.298 -22.555 1.00 0.00 C ATOM 1685 OE1 GLU A 110 -6.758 0.701 -21.856 1.00 0.00 O ATOM 1686 OE2 GLU A 110 -6.675 -0.277 -23.774 1.00 0.00 O ATOM 0 H GLU A 110 -9.746 -2.568 -19.468 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.704 -3.957 -20.693 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -8.790 -2.008 -21.690 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -8.144 -0.951 -20.450 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.786 -1.724 -21.213 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -6.574 -2.456 -22.596 1.00 0.00 H new ATOM 1693 N ALA A 111 -6.569 -2.049 -18.248 1.00 0.00 N ATOM 1694 CA ALA A 111 -5.396 -1.851 -17.374 1.00 0.00 C ATOM 1695 C ALA A 111 -5.185 -3.112 -16.535 1.00 0.00 C ATOM 1696 O ALA A 111 -4.285 -3.891 -16.784 1.00 0.00 O ATOM 1697 CB ALA A 111 -5.679 -0.667 -16.459 1.00 0.00 C ATOM 0 H ALA A 111 -7.392 -1.501 -17.998 1.00 0.00 H new ATOM 0 HA ALA A 111 -4.501 -1.658 -17.966 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -4.824 -0.502 -15.803 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.852 0.225 -17.061 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -6.563 -0.876 -15.857 1.00 0.00 H new ATOM 1703 N VAL A 112 -5.998 -3.303 -15.527 1.00 0.00 N ATOM 1704 CA VAL A 112 -5.845 -4.495 -14.646 1.00 0.00 C ATOM 1705 C VAL A 112 -5.459 -5.722 -15.477 1.00 0.00 C ATOM 1706 O VAL A 112 -4.355 -6.220 -15.394 1.00 0.00 O ATOM 1707 CB VAL A 112 -7.183 -4.759 -13.955 1.00 0.00 C ATOM 1708 CG1 VAL A 112 -7.143 -6.122 -13.265 1.00 0.00 C ATOM 1709 CG2 VAL A 112 -7.437 -3.669 -12.911 1.00 0.00 C ATOM 0 H VAL A 112 -6.765 -2.679 -15.277 1.00 0.00 H new ATOM 0 HA VAL A 112 -5.062 -4.307 -13.911 1.00 0.00 H new ATOM 0 HB VAL A 112 -7.982 -4.751 -14.696 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -8.097 -6.309 -12.773 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -6.959 -6.900 -14.006 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -6.344 -6.131 -12.523 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -8.390 -3.854 -12.416 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -6.636 -3.680 -12.171 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -7.465 -2.696 -13.401 1.00 0.00 H new ATOM 1719 N ALA A 113 -6.372 -6.209 -16.275 1.00 0.00 N ATOM 1720 CA ALA A 113 -6.089 -7.406 -17.120 1.00 0.00 C ATOM 1721 C ALA A 113 -4.664 -7.337 -17.674 1.00 0.00 C ATOM 1722 O ALA A 113 -3.849 -8.191 -17.393 1.00 0.00 O ATOM 1723 CB ALA A 113 -7.085 -7.448 -18.280 1.00 0.00 C ATOM 0 H ALA A 113 -7.311 -5.825 -16.378 1.00 0.00 H new ATOM 0 HA ALA A 113 -6.188 -8.305 -16.512 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -6.883 -8.321 -18.901 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -8.100 -7.509 -17.886 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -6.983 -6.544 -18.880 1.00 0.00 H new ATOM 1729 N LEU A 114 -4.371 -6.337 -18.471 1.00 0.00 N ATOM 1730 CA LEU A 114 -3.008 -6.205 -19.064 1.00 0.00 C ATOM 1731 C LEU A 114 -1.959 -6.710 -18.076 1.00 0.00 C ATOM 1732 O LEU A 114 -1.181 -7.595 -18.376 1.00 0.00 O ATOM 1733 CB LEU A 114 -2.764 -4.726 -19.361 1.00 0.00 C ATOM 1734 CG LEU A 114 -1.315 -4.506 -19.800 1.00 0.00 C ATOM 1735 CD1 LEU A 114 -1.201 -4.725 -21.310 1.00 0.00 C ATOM 1736 CD2 LEU A 114 -0.898 -3.074 -19.461 1.00 0.00 C ATOM 0 H LEU A 114 -5.026 -5.602 -18.737 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.936 -6.795 -19.978 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.444 -4.388 -20.143 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.977 -4.130 -18.474 1.00 0.00 H new ATOM 0 HG LEU A 114 -0.664 -5.210 -19.281 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.169 -4.568 -21.623 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -1.504 -5.743 -21.554 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -1.849 -4.019 -21.830 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.134 -2.912 -19.772 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.548 -2.372 -19.983 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -0.982 -2.915 -18.386 1.00 0.00 H new ATOM 1748 N VAL A 115 -1.939 -6.162 -16.893 1.00 0.00 N ATOM 1749 CA VAL A 115 -0.950 -6.624 -15.884 1.00 0.00 C ATOM 1750 C VAL A 115 -1.157 -8.127 -15.652 1.00 0.00 C ATOM 1751 O VAL A 115 -0.233 -8.908 -15.718 1.00 0.00 O ATOM 1752 CB VAL A 115 -1.130 -5.810 -14.586 1.00 0.00 C ATOM 1753 CG1 VAL A 115 -1.780 -6.652 -13.487 1.00 0.00 C ATOM 1754 CG2 VAL A 115 0.240 -5.328 -14.101 1.00 0.00 C ATOM 0 H VAL A 115 -2.563 -5.417 -16.583 1.00 0.00 H new ATOM 0 HA VAL A 115 0.071 -6.467 -16.233 1.00 0.00 H new ATOM 0 HB VAL A 115 -1.781 -4.963 -14.801 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.893 -6.049 -12.586 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -2.760 -6.992 -13.821 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.151 -7.515 -13.270 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.119 -4.752 -13.184 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.881 -6.188 -13.908 1.00 0.00 H new ATOM 0 HG23 VAL A 115 0.697 -4.700 -14.866 1.00 0.00 H new ATOM 1764 N GLU A 116 -2.365 -8.525 -15.355 1.00 0.00 N ATOM 1765 CA GLU A 116 -2.644 -9.966 -15.095 1.00 0.00 C ATOM 1766 C GLU A 116 -1.851 -10.857 -16.059 1.00 0.00 C ATOM 1767 O GLU A 116 -1.413 -11.932 -15.703 1.00 0.00 O ATOM 1768 CB GLU A 116 -4.135 -10.224 -15.314 1.00 0.00 C ATOM 1769 CG GLU A 116 -4.411 -11.723 -15.194 1.00 0.00 C ATOM 1770 CD GLU A 116 -4.169 -12.173 -13.752 1.00 0.00 C ATOM 1771 OE1 GLU A 116 -3.821 -11.332 -12.940 1.00 0.00 O ATOM 1772 OE2 GLU A 116 -4.337 -13.352 -13.484 1.00 0.00 O ATOM 0 H GLU A 116 -3.175 -7.910 -15.281 1.00 0.00 H new ATOM 0 HA GLU A 116 -2.351 -10.201 -14.072 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.723 -9.674 -14.579 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -4.438 -9.864 -16.297 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -5.439 -11.939 -15.486 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -3.764 -12.278 -15.873 1.00 0.00 H new ATOM 1779 N ARG A 117 -1.689 -10.433 -17.289 1.00 0.00 N ATOM 1780 CA ARG A 117 -0.956 -11.280 -18.275 1.00 0.00 C ATOM 1781 C ARG A 117 0.557 -11.185 -18.053 1.00 0.00 C ATOM 1782 O ARG A 117 1.267 -12.161 -18.188 1.00 0.00 O ATOM 1783 CB ARG A 117 -1.338 -10.859 -19.708 1.00 0.00 C ATOM 1784 CG ARG A 117 -0.702 -9.516 -20.084 1.00 0.00 C ATOM 1785 CD ARG A 117 0.004 -9.650 -21.436 1.00 0.00 C ATOM 1786 NE ARG A 117 0.994 -10.763 -21.373 1.00 0.00 N ATOM 1787 CZ ARG A 117 1.886 -10.897 -22.319 1.00 0.00 C ATOM 1788 NH1 ARG A 117 1.574 -11.515 -23.427 1.00 0.00 N ATOM 1789 NH2 ARG A 117 3.089 -10.417 -22.157 1.00 0.00 N ATOM 0 H ARG A 117 -2.031 -9.542 -17.649 1.00 0.00 H new ATOM 0 HA ARG A 117 -1.243 -12.322 -18.132 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -1.016 -11.626 -20.412 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -2.422 -10.786 -19.791 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -1.466 -8.741 -20.135 1.00 0.00 H new ATOM 0 HG3 ARG A 117 0.011 -9.211 -19.318 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -0.726 -9.843 -22.222 1.00 0.00 H new ATOM 0 HD3 ARG A 117 0.506 -8.717 -21.690 1.00 0.00 H new ATOM 0 HE ARG A 117 0.975 -11.419 -20.592 1.00 0.00 H new ATOM 0 HH11 ARG A 117 0.635 -11.892 -23.553 1.00 0.00 H new ATOM 0 HH12 ARG A 117 2.270 -11.620 -24.166 1.00 0.00 H new ATOM 0 HH21 ARG A 117 3.334 -9.937 -21.291 1.00 0.00 H new ATOM 0 HH22 ARG A 117 3.784 -10.522 -22.896 1.00 0.00 H new ATOM 1803 N ALA A 118 1.062 -10.039 -17.698 1.00 0.00 N ATOM 1804 CA ALA A 118 2.524 -9.932 -17.455 1.00 0.00 C ATOM 1805 C ALA A 118 2.877 -10.846 -16.283 1.00 0.00 C ATOM 1806 O ALA A 118 3.760 -11.666 -16.367 1.00 0.00 O ATOM 1807 CB ALA A 118 2.888 -8.485 -17.114 1.00 0.00 C ATOM 0 H ALA A 118 0.530 -9.178 -17.567 1.00 0.00 H new ATOM 0 HA ALA A 118 3.079 -10.228 -18.345 1.00 0.00 H new ATOM 0 HB1 ALA A 118 3.961 -8.412 -16.937 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.612 -7.835 -17.944 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.350 -8.176 -16.218 1.00 0.00 H new ATOM 1813 N ILE A 119 2.201 -10.680 -15.181 1.00 0.00 N ATOM 1814 CA ILE A 119 2.481 -11.509 -13.977 1.00 0.00 C ATOM 1815 C ILE A 119 2.729 -12.978 -14.364 1.00 0.00 C ATOM 1816 O ILE A 119 3.688 -13.592 -13.943 1.00 0.00 O ATOM 1817 CB ILE A 119 1.251 -11.453 -13.068 1.00 0.00 C ATOM 1818 CG1 ILE A 119 0.749 -10.011 -12.937 1.00 0.00 C ATOM 1819 CG2 ILE A 119 1.613 -11.983 -11.678 1.00 0.00 C ATOM 1820 CD1 ILE A 119 -0.277 -9.931 -11.804 1.00 0.00 C ATOM 0 H ILE A 119 1.455 -9.994 -15.062 1.00 0.00 H new ATOM 0 HA ILE A 119 3.370 -11.123 -13.478 1.00 0.00 H new ATOM 0 HB ILE A 119 0.466 -12.068 -13.508 1.00 0.00 H new ATOM 0 HG12 ILE A 119 1.584 -9.341 -12.734 1.00 0.00 H new ATOM 0 HG13 ILE A 119 0.298 -9.685 -13.874 1.00 0.00 H new ATOM 0 HG21 ILE A 119 0.735 -11.942 -11.033 1.00 0.00 H new ATOM 0 HG22 ILE A 119 1.955 -13.015 -11.760 1.00 0.00 H new ATOM 0 HG23 ILE A 119 2.407 -11.370 -11.250 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -0.635 -8.906 -11.709 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -1.117 -10.590 -12.026 1.00 0.00 H new ATOM 0 HD13 ILE A 119 0.189 -10.240 -10.869 1.00 0.00 H new ATOM 1832 N SER A 120 1.835 -13.550 -15.138 1.00 0.00 N ATOM 1833 CA SER A 120 1.958 -14.991 -15.539 1.00 0.00 C ATOM 1834 C SER A 120 3.422 -15.410 -15.737 1.00 0.00 C ATOM 1835 O SER A 120 3.786 -16.536 -15.466 1.00 0.00 O ATOM 1836 CB SER A 120 1.195 -15.216 -16.845 1.00 0.00 C ATOM 1837 OG SER A 120 1.792 -16.289 -17.560 1.00 0.00 O ATOM 0 H SER A 120 1.015 -13.074 -15.514 1.00 0.00 H new ATOM 0 HA SER A 120 1.540 -15.597 -14.735 1.00 0.00 H new ATOM 0 HB2 SER A 120 0.150 -15.442 -16.634 1.00 0.00 H new ATOM 0 HB3 SER A 120 1.210 -14.309 -17.449 1.00 0.00 H new ATOM 0 HG SER A 120 1.304 -16.436 -18.397 1.00 0.00 H new ATOM 1843 N HIS A 121 4.246 -14.526 -16.228 1.00 0.00 N ATOM 1844 CA HIS A 121 5.684 -14.862 -16.477 1.00 0.00 C ATOM 1845 C HIS A 121 6.206 -15.872 -15.447 1.00 0.00 C ATOM 1846 O HIS A 121 6.539 -16.991 -15.784 1.00 0.00 O ATOM 1847 CB HIS A 121 6.524 -13.587 -16.397 1.00 0.00 C ATOM 1848 CG HIS A 121 7.732 -13.731 -17.280 1.00 0.00 C ATOM 1849 ND1 HIS A 121 8.289 -14.965 -17.575 1.00 0.00 N ATOM 1850 CD2 HIS A 121 8.501 -12.806 -17.942 1.00 0.00 C ATOM 1851 CE1 HIS A 121 9.344 -14.753 -18.381 1.00 0.00 C ATOM 1852 NE2 HIS A 121 9.518 -13.453 -18.637 1.00 0.00 N ATOM 0 H HIS A 121 3.984 -13.571 -16.472 1.00 0.00 H new ATOM 0 HA HIS A 121 5.763 -15.308 -17.469 1.00 0.00 H new ATOM 0 HB2 HIS A 121 5.931 -12.727 -16.710 1.00 0.00 H new ATOM 0 HB3 HIS A 121 6.832 -13.405 -15.367 1.00 0.00 H new ATOM 0 HD2 HIS A 121 8.341 -11.738 -17.926 1.00 0.00 H new ATOM 0 HE1 HIS A 121 9.974 -15.538 -18.774 1.00 0.00 H new ATOM 0 HE2 HIS A 121 10.241 -13.027 -19.217 1.00 0.00 H new ATOM 1860 N TYR A 122 6.295 -15.490 -14.203 1.00 0.00 N ATOM 1861 CA TYR A 122 6.813 -16.441 -13.172 1.00 0.00 C ATOM 1862 C TYR A 122 5.663 -16.934 -12.293 1.00 0.00 C ATOM 1863 O TYR A 122 5.767 -17.951 -11.636 1.00 0.00 O ATOM 1864 CB TYR A 122 7.869 -15.752 -12.290 1.00 0.00 C ATOM 1865 CG TYR A 122 7.829 -14.256 -12.496 1.00 0.00 C ATOM 1866 CD1 TYR A 122 6.811 -13.495 -11.909 1.00 0.00 C ATOM 1867 CD2 TYR A 122 8.807 -13.633 -13.280 1.00 0.00 C ATOM 1868 CE1 TYR A 122 6.773 -12.108 -12.103 1.00 0.00 C ATOM 1869 CE2 TYR A 122 8.769 -12.246 -13.475 1.00 0.00 C ATOM 1870 CZ TYR A 122 7.752 -11.484 -12.887 1.00 0.00 C ATOM 1871 OH TYR A 122 7.714 -10.120 -13.079 1.00 0.00 O ATOM 0 H TYR A 122 6.034 -14.568 -13.855 1.00 0.00 H new ATOM 0 HA TYR A 122 7.272 -17.288 -13.682 1.00 0.00 H new ATOM 0 HB2 TYR A 122 7.686 -15.987 -11.241 1.00 0.00 H new ATOM 0 HB3 TYR A 122 8.861 -16.133 -12.533 1.00 0.00 H new ATOM 0 HD1 TYR A 122 6.055 -13.977 -11.307 1.00 0.00 H new ATOM 0 HD2 TYR A 122 9.591 -14.221 -13.734 1.00 0.00 H new ATOM 0 HE1 TYR A 122 5.989 -11.520 -11.648 1.00 0.00 H new ATOM 0 HE2 TYR A 122 9.524 -11.765 -14.079 1.00 0.00 H new ATOM 0 HH TYR A 122 8.466 -9.848 -13.646 1.00 0.00 H new ATOM 1881 N GLN A 123 4.566 -16.229 -12.276 1.00 0.00 N ATOM 1882 CA GLN A 123 3.415 -16.671 -11.438 1.00 0.00 C ATOM 1883 C GLN A 123 2.534 -17.619 -12.253 1.00 0.00 C ATOM 1884 O GLN A 123 1.350 -17.398 -12.418 1.00 0.00 O ATOM 1885 CB GLN A 123 2.594 -15.453 -11.007 1.00 0.00 C ATOM 1886 CG GLN A 123 2.465 -15.440 -9.482 1.00 0.00 C ATOM 1887 CD GLN A 123 2.907 -14.078 -8.941 1.00 0.00 C ATOM 1888 OE1 GLN A 123 2.090 -13.211 -8.705 1.00 0.00 O ATOM 1889 NE2 GLN A 123 4.175 -13.854 -8.734 1.00 0.00 N ATOM 0 H GLN A 123 4.416 -15.369 -12.804 1.00 0.00 H new ATOM 0 HA GLN A 123 3.786 -17.186 -10.552 1.00 0.00 H new ATOM 0 HB2 GLN A 123 3.075 -14.537 -11.350 1.00 0.00 H new ATOM 0 HB3 GLN A 123 1.606 -15.486 -11.466 1.00 0.00 H new ATOM 0 HG2 GLN A 123 1.433 -15.640 -9.192 1.00 0.00 H new ATOM 0 HG3 GLN A 123 3.077 -16.231 -9.048 1.00 0.00 H new ATOM 0 HE21 GLN A 123 4.861 -14.583 -8.932 1.00 0.00 H new ATOM 0 HE22 GLN A 123 4.481 -12.950 -8.374 1.00 0.00 H new ATOM 1898 N GLU A 124 3.104 -18.676 -12.766 1.00 0.00 N ATOM 1899 CA GLU A 124 2.305 -19.640 -13.574 1.00 0.00 C ATOM 1900 C GLU A 124 1.122 -20.145 -12.744 1.00 0.00 C ATOM 1901 O GLU A 124 -0.004 -19.917 -13.155 1.00 0.00 O ATOM 1902 CB GLU A 124 3.189 -20.822 -13.977 1.00 0.00 C ATOM 1903 CG GLU A 124 4.365 -20.316 -14.815 1.00 0.00 C ATOM 1904 CD GLU A 124 3.876 -19.968 -16.223 1.00 0.00 C ATOM 1905 OE1 GLU A 124 2.741 -20.292 -16.530 1.00 0.00 O ATOM 1906 OE2 GLU A 124 4.646 -19.386 -16.968 1.00 0.00 O ATOM 1907 OXT GLU A 124 1.363 -20.750 -11.712 1.00 0.00 O ATOM 0 H GLU A 124 4.090 -18.913 -12.660 1.00 0.00 H new ATOM 0 HA GLU A 124 1.933 -19.143 -14.470 1.00 0.00 H new ATOM 0 HB2 GLU A 124 3.556 -21.335 -13.088 1.00 0.00 H new ATOM 0 HB3 GLU A 124 2.608 -21.547 -14.547 1.00 0.00 H new ATOM 0 HG2 GLU A 124 4.809 -19.438 -14.345 1.00 0.00 H new ATOM 0 HG3 GLU A 124 5.143 -21.078 -14.867 1.00 0.00 H new