USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 907 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 103 GLN :FLIP amide:sc= -1.44 F(o=-13,f=-9.7) USER MOD Set 1.2: A 104 GLN : amide:sc= -8.31! C(o=-9.7!,f=-11!) USER MOD Set 2.1: A 62 THR OG1 : rot -170:sc= 0.919 USER MOD Set 2.2: A 64 THR OG1 : rot -68:sc= 0.84 USER MOD Set 3.1: A 29 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 113 LYS NZ :NH3+ 180:sc= -0.21 (180deg=-0.21) USER MOD Single : A 8 SER OG : rot -120:sc= -4.41! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -158:sc= 0.405 (180deg=0.228) USER MOD Single : A 24 TYR OH : rot 39:sc= -0.448 USER MOD Single : A 28 SER OG : rot 180:sc= -0.276 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 154:sc= 0.958 (180deg=0.587) USER MOD Single : A 35 TYR OH : rot 180:sc= -1.85! USER MOD Single : A 37 SER OG : rot 41:sc= 0.679 USER MOD Single : A 39 GLN : amide:sc= -0.724 X(o=-0.72,f=-0.68) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.325 X(o=-0.33,f=-0.055) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 143:sc= -8.33! (180deg=-11!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.32 X(o=-0.32,f=-0.075) USER MOD Single : A 63 GLN : amide:sc= -1.75 K(o=-1.8,f=-2.9!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.0214 F(o=-0.96,f=-0.021) USER MOD Single : A 82 TYR OH : rot 33:sc= -0.658 USER MOD Single : A 84 ASN : amide:sc= -5.59 K(o=-5.6,f=-6.7!) USER MOD Single : A 88 SER OG : rot 180:sc= 0.0215 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.498 X(o=-0.5,f=0) USER MOD Single : A 98 ASN : amide:sc= -0.625 X(o=-0.63,f=-0.15) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0437 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 96:sc= 0.337 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 14 N ARG A 2 7.231 4.315 -12.986 1.00 0.00 N ATOM 15 CA ARG A 2 7.512 4.525 -11.570 1.00 0.00 C ATOM 16 C ARG A 2 7.036 3.335 -10.741 1.00 0.00 C ATOM 17 O ARG A 2 6.544 2.347 -11.286 1.00 0.00 O ATOM 18 CB ARG A 2 6.844 5.812 -11.077 1.00 0.00 C ATOM 19 CG ARG A 2 5.432 6.015 -11.608 1.00 0.00 C ATOM 20 CD ARG A 2 5.436 6.726 -12.951 1.00 0.00 C ATOM 21 NE ARG A 2 6.229 7.952 -12.918 1.00 0.00 N ATOM 22 CZ ARG A 2 6.688 8.568 -14.005 1.00 0.00 C ATOM 23 NH1 ARG A 2 6.435 8.078 -15.211 1.00 0.00 N ATOM 24 NH2 ARG A 2 7.401 9.680 -13.884 1.00 0.00 N ATOM 0 HA ARG A 2 8.591 4.620 -11.449 1.00 0.00 H new ATOM 0 HB2 ARG A 2 6.814 5.800 -9.987 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.458 6.664 -11.370 1.00 0.00 H new ATOM 0 HG2 ARG A 2 4.938 5.049 -11.709 1.00 0.00 H new ATOM 0 HG3 ARG A 2 4.853 6.596 -10.890 1.00 0.00 H new ATOM 0 HD2 ARG A 2 5.834 6.057 -13.714 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.412 6.964 -13.238 1.00 0.00 H new ATOM 0 HE ARG A 2 6.444 8.360 -12.008 1.00 0.00 H new ATOM 0 HH11 ARG A 2 5.886 7.224 -15.310 1.00 0.00 H new ATOM 0 HH12 ARG A 2 6.790 8.555 -16.040 1.00 0.00 H new ATOM 0 HH21 ARG A 2 7.597 10.062 -12.959 1.00 0.00 H new ATOM 0 HH22 ARG A 2 7.753 10.153 -14.716 1.00 0.00 H new ATOM 38 N LEU A 3 7.188 3.435 -9.423 1.00 0.00 N ATOM 39 CA LEU A 3 6.774 2.365 -8.517 1.00 0.00 C ATOM 40 C LEU A 3 5.362 1.889 -8.835 1.00 0.00 C ATOM 41 O LEU A 3 4.384 2.467 -8.367 1.00 0.00 O ATOM 42 CB LEU A 3 6.838 2.843 -7.067 1.00 0.00 C ATOM 43 CG LEU A 3 6.832 1.732 -6.016 1.00 0.00 C ATOM 44 CD1 LEU A 3 8.046 0.832 -6.185 1.00 0.00 C ATOM 45 CD2 LEU A 3 6.791 2.327 -4.615 1.00 0.00 C ATOM 0 H LEU A 3 7.595 4.246 -8.957 1.00 0.00 H new ATOM 0 HA LEU A 3 7.460 1.530 -8.654 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.741 3.440 -6.937 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.990 3.503 -6.881 1.00 0.00 H new ATOM 0 HG LEU A 3 5.937 1.126 -6.157 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.025 0.047 -5.429 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.029 0.381 -7.177 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.955 1.422 -6.071 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.787 1.524 -3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.668 2.956 -4.461 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.889 2.928 -4.501 1.00 0.00 H new ATOM 57 N GLU A 4 5.261 0.835 -9.635 1.00 0.00 N ATOM 58 CA GLU A 4 3.966 0.293 -10.010 1.00 0.00 C ATOM 59 C GLU A 4 3.957 -1.229 -9.926 1.00 0.00 C ATOM 60 O GLU A 4 5.009 -1.864 -9.829 1.00 0.00 O ATOM 61 CB GLU A 4 3.599 0.740 -11.428 1.00 0.00 C ATOM 62 CG GLU A 4 4.484 0.138 -12.508 1.00 0.00 C ATOM 63 CD GLU A 4 3.690 -0.397 -13.684 1.00 0.00 C ATOM 64 OE1 GLU A 4 2.653 0.211 -14.025 1.00 0.00 O ATOM 65 OE2 GLU A 4 4.104 -1.423 -14.263 1.00 0.00 O ATOM 0 H GLU A 4 6.059 0.341 -10.034 1.00 0.00 H new ATOM 0 HA GLU A 4 3.226 0.675 -9.307 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.562 0.469 -11.628 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.661 1.827 -11.484 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.184 0.895 -12.862 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.077 -0.669 -12.078 1.00 0.00 H new ATOM 72 N GLY A 5 2.763 -1.804 -9.966 1.00 0.00 N ATOM 73 CA GLY A 5 2.626 -3.246 -9.894 1.00 0.00 C ATOM 74 C GLY A 5 1.332 -3.656 -9.226 1.00 0.00 C ATOM 75 O GLY A 5 0.379 -2.879 -9.184 1.00 0.00 O ATOM 0 H GLY A 5 1.883 -1.295 -10.047 1.00 0.00 H new ATOM 0 HA2 GLY A 5 2.664 -3.665 -10.899 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.468 -3.664 -9.342 1.00 0.00 H new ATOM 79 N TRP A 6 1.294 -4.872 -8.697 1.00 0.00 N ATOM 80 CA TRP A 6 0.098 -5.362 -8.026 1.00 0.00 C ATOM 81 C TRP A 6 0.369 -5.645 -6.557 1.00 0.00 C ATOM 82 O TRP A 6 1.249 -6.435 -6.217 1.00 0.00 O ATOM 83 CB TRP A 6 -0.424 -6.627 -8.700 1.00 0.00 C ATOM 84 CG TRP A 6 -0.563 -6.475 -10.175 1.00 0.00 C ATOM 85 CD1 TRP A 6 0.445 -6.507 -11.082 1.00 0.00 C ATOM 86 CD2 TRP A 6 -1.769 -6.257 -10.914 1.00 0.00 C ATOM 87 NE1 TRP A 6 -0.051 -6.313 -12.344 1.00 0.00 N ATOM 88 CE2 TRP A 6 -1.412 -6.164 -12.270 1.00 0.00 C ATOM 89 CE3 TRP A 6 -3.116 -6.134 -10.560 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -2.351 -5.951 -13.275 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -4.048 -5.925 -11.559 1.00 0.00 C ATOM 92 CH2 TRP A 6 -3.662 -5.835 -12.903 1.00 0.00 C ATOM 0 H TRP A 6 2.071 -5.532 -8.719 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.658 -4.581 -8.099 1.00 0.00 H new ATOM 0 HB2 TRP A 6 0.253 -7.454 -8.486 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -1.392 -6.889 -8.273 1.00 0.00 H new ATOM 0 HD1 TRP A 6 1.487 -6.663 -10.844 1.00 0.00 H new ATOM 0 HE1 TRP A 6 0.503 -6.284 -13.200 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -3.422 -6.201 -9.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.055 -5.880 -14.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -5.092 -5.829 -11.299 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -4.415 -5.671 -13.660 1.00 0.00 H new ATOM 103 N LEU A 7 -0.412 -5.016 -5.693 1.00 0.00 N ATOM 104 CA LEU A 7 -0.277 -5.221 -4.261 1.00 0.00 C ATOM 105 C LEU A 7 -1.586 -5.752 -3.714 1.00 0.00 C ATOM 106 O LEU A 7 -2.655 -5.438 -4.233 1.00 0.00 O ATOM 107 CB LEU A 7 0.114 -3.929 -3.555 1.00 0.00 C ATOM 108 CG LEU A 7 1.489 -3.379 -3.936 1.00 0.00 C ATOM 109 CD1 LEU A 7 1.573 -1.899 -3.616 1.00 0.00 C ATOM 110 CD2 LEU A 7 2.586 -4.145 -3.213 1.00 0.00 C ATOM 0 H LEU A 7 -1.146 -4.359 -5.959 1.00 0.00 H new ATOM 0 HA LEU A 7 0.517 -5.945 -4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.638 -3.171 -3.773 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.092 -4.099 -2.479 1.00 0.00 H new ATOM 0 HG LEU A 7 1.629 -3.508 -5.009 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.558 -1.522 -3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.808 -1.362 -4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.414 -1.748 -2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.558 -3.741 -3.495 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.450 -4.045 -2.136 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.537 -5.198 -3.489 1.00 0.00 H new ATOM 122 N SER A 8 -1.501 -6.576 -2.689 1.00 0.00 N ATOM 123 CA SER A 8 -2.691 -7.185 -2.110 1.00 0.00 C ATOM 124 C SER A 8 -3.280 -6.340 -0.991 1.00 0.00 C ATOM 125 O SER A 8 -2.559 -5.760 -0.178 1.00 0.00 O ATOM 126 CB SER A 8 -2.371 -8.591 -1.594 1.00 0.00 C ATOM 127 OG SER A 8 -0.985 -8.872 -1.695 1.00 0.00 O ATOM 0 H SER A 8 -0.625 -6.841 -2.238 1.00 0.00 H new ATOM 0 HA SER A 8 -3.439 -7.250 -2.901 1.00 0.00 H new ATOM 0 HB2 SER A 8 -2.688 -8.681 -0.555 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.936 -9.328 -2.164 1.00 0.00 H new ATOM 0 HG SER A 8 -0.851 -9.653 -2.272 1.00 0.00 H new ATOM 133 N LEU A 9 -4.607 -6.286 -0.962 1.00 0.00 N ATOM 134 CA LEU A 9 -5.332 -5.527 0.046 1.00 0.00 C ATOM 135 C LEU A 9 -6.365 -6.415 0.731 1.00 0.00 C ATOM 136 O LEU A 9 -6.813 -7.409 0.160 1.00 0.00 O ATOM 137 CB LEU A 9 -6.021 -4.323 -0.595 1.00 0.00 C ATOM 138 CG LEU A 9 -5.082 -3.323 -1.273 1.00 0.00 C ATOM 139 CD1 LEU A 9 -4.919 -3.662 -2.747 1.00 0.00 C ATOM 140 CD2 LEU A 9 -5.601 -1.903 -1.105 1.00 0.00 C ATOM 0 H LEU A 9 -5.207 -6.765 -1.634 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.622 -5.171 0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.737 -4.684 -1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.592 -3.799 0.172 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.105 -3.389 -0.794 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.248 -2.941 -3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.501 -4.664 -2.846 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.891 -3.624 -3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.920 -1.206 -1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.590 -1.821 -1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.666 -1.663 -0.044 1.00 0.00 H new ATOM 152 N PRO A 10 -6.763 -6.072 1.967 1.00 0.00 N ATOM 153 CA PRO A 10 -7.749 -6.854 2.715 1.00 0.00 C ATOM 154 C PRO A 10 -9.076 -6.966 1.975 1.00 0.00 C ATOM 155 O PRO A 10 -9.925 -6.080 2.057 1.00 0.00 O ATOM 156 CB PRO A 10 -7.926 -6.074 4.024 1.00 0.00 C ATOM 157 CG PRO A 10 -7.364 -4.718 3.757 1.00 0.00 C ATOM 158 CD PRO A 10 -6.286 -4.908 2.729 1.00 0.00 C ATOM 0 HA PRO A 10 -7.417 -7.881 2.867 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.977 -6.015 4.307 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.402 -6.562 4.846 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.136 -4.041 3.391 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.960 -4.277 4.668 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.172 -4.029 2.095 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.316 -5.096 3.190 1.00 0.00 H new ATOM 166 N VAL A 11 -9.244 -8.069 1.254 1.00 0.00 N ATOM 167 CA VAL A 11 -10.466 -8.312 0.495 1.00 0.00 C ATOM 168 C VAL A 11 -11.556 -8.893 1.393 1.00 0.00 C ATOM 169 O VAL A 11 -11.304 -9.213 2.553 1.00 0.00 O ATOM 170 CB VAL A 11 -10.200 -9.266 -0.694 1.00 0.00 C ATOM 171 CG1 VAL A 11 -10.102 -10.715 -0.235 1.00 0.00 C ATOM 172 CG2 VAL A 11 -11.269 -9.107 -1.763 1.00 0.00 C ATOM 0 H VAL A 11 -8.548 -8.811 1.179 1.00 0.00 H new ATOM 0 HA VAL A 11 -10.807 -7.354 0.103 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.238 -8.993 -1.129 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.915 -11.357 -1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.284 -10.816 0.478 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -11.037 -11.010 0.241 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.062 -9.787 -2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.246 -9.339 -1.338 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -11.267 -8.080 -2.129 1.00 0.00 H new ATOM 319 N TRP A 20 -6.807 -11.694 0.381 1.00 0.00 N ATOM 320 CA TRP A 20 -5.943 -10.734 -0.298 1.00 0.00 C ATOM 321 C TRP A 20 -6.279 -10.644 -1.782 1.00 0.00 C ATOM 322 O TRP A 20 -6.660 -11.633 -2.409 1.00 0.00 O ATOM 323 CB TRP A 20 -4.471 -11.116 -0.136 1.00 0.00 C ATOM 324 CG TRP A 20 -4.001 -11.097 1.287 1.00 0.00 C ATOM 325 CD1 TRP A 20 -3.588 -12.165 2.030 1.00 0.00 C ATOM 326 CD2 TRP A 20 -3.890 -9.950 2.135 1.00 0.00 C ATOM 327 NE1 TRP A 20 -3.227 -11.750 3.289 1.00 0.00 N ATOM 328 CE2 TRP A 20 -3.405 -10.394 3.379 1.00 0.00 C ATOM 329 CE3 TRP A 20 -4.154 -8.588 1.964 1.00 0.00 C ATOM 330 CZ2 TRP A 20 -3.178 -9.526 4.443 1.00 0.00 C ATOM 331 CZ3 TRP A 20 -3.928 -7.727 3.021 1.00 0.00 C ATOM 332 CH2 TRP A 20 -3.444 -8.199 4.247 1.00 0.00 C ATOM 0 HA TRP A 20 -6.115 -9.761 0.163 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.315 -12.113 -0.548 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.859 -10.430 -0.721 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.551 -13.186 1.680 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -2.882 -12.353 4.036 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -4.528 -8.215 1.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -2.805 -9.888 5.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -4.128 -6.673 2.899 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.277 -7.501 5.054 1.00 0.00 H new ATOM 343 N VAL A 21 -6.120 -9.449 -2.336 1.00 0.00 N ATOM 344 CA VAL A 21 -6.389 -9.213 -3.749 1.00 0.00 C ATOM 345 C VAL A 21 -5.406 -8.189 -4.304 1.00 0.00 C ATOM 346 O VAL A 21 -5.444 -7.018 -3.924 1.00 0.00 O ATOM 347 CB VAL A 21 -7.830 -8.712 -3.974 1.00 0.00 C ATOM 348 CG1 VAL A 21 -8.065 -7.402 -3.236 1.00 0.00 C ATOM 349 CG2 VAL A 21 -8.119 -8.557 -5.460 1.00 0.00 C ATOM 0 H VAL A 21 -5.805 -8.624 -1.826 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.270 -10.162 -4.271 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.518 -9.455 -3.571 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.088 -7.066 -3.408 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.907 -7.553 -2.168 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.369 -6.648 -3.603 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.141 -8.203 -5.597 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.424 -7.837 -5.893 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.999 -9.520 -5.956 1.00 0.00 H new ATOM 359 N LYS A 22 -4.512 -8.627 -5.187 1.00 0.00 N ATOM 360 CA LYS A 22 -3.523 -7.727 -5.750 1.00 0.00 C ATOM 361 C LYS A 22 -4.137 -6.770 -6.768 1.00 0.00 C ATOM 362 O LYS A 22 -4.531 -7.172 -7.862 1.00 0.00 O ATOM 363 CB LYS A 22 -2.379 -8.515 -6.387 1.00 0.00 C ATOM 364 CG LYS A 22 -2.757 -9.196 -7.688 1.00 0.00 C ATOM 365 CD LYS A 22 -1.682 -10.165 -8.134 1.00 0.00 C ATOM 366 CE LYS A 22 -1.192 -9.817 -9.524 1.00 0.00 C ATOM 367 NZ LYS A 22 -0.495 -10.959 -10.176 1.00 0.00 N ATOM 0 H LYS A 22 -4.456 -9.589 -5.522 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.128 -7.127 -4.930 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.543 -7.840 -6.570 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.031 -9.269 -5.680 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.700 -9.728 -7.562 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.916 -8.445 -8.461 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.848 -10.140 -7.432 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.075 -11.182 -8.125 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.038 -9.510 -10.139 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.514 -8.965 -9.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.177 -10.676 -11.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.328 -11.236 -9.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.148 -11.764 -10.256 1.00 0.00 H new ATOM 381 N LYS A 23 -4.186 -5.495 -6.405 1.00 0.00 N ATOM 382 CA LYS A 23 -4.714 -4.469 -7.290 1.00 0.00 C ATOM 383 C LYS A 23 -3.553 -3.691 -7.890 1.00 0.00 C ATOM 384 O LYS A 23 -2.497 -3.569 -7.269 1.00 0.00 O ATOM 385 CB LYS A 23 -5.649 -3.524 -6.533 1.00 0.00 C ATOM 386 CG LYS A 23 -6.888 -4.211 -5.980 1.00 0.00 C ATOM 387 CD LYS A 23 -7.946 -4.397 -7.055 1.00 0.00 C ATOM 388 CE LYS A 23 -9.265 -4.871 -6.465 1.00 0.00 C ATOM 389 NZ LYS A 23 -10.284 -3.785 -6.440 1.00 0.00 N ATOM 0 H LYS A 23 -3.865 -5.148 -5.501 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.291 -4.943 -8.084 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.100 -3.065 -5.711 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.957 -2.719 -7.200 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.614 -5.181 -5.566 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.299 -3.620 -5.162 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.100 -3.455 -7.582 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.595 -5.120 -7.791 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.643 -5.710 -7.049 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.099 -5.237 -5.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.007 -4.004 -5.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.824 -2.883 -6.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.733 -3.709 -7.375 1.00 0.00 H new ATOM 403 N TYR A 24 -3.732 -3.183 -9.098 1.00 0.00 N ATOM 404 CA TYR A 24 -2.667 -2.444 -9.756 1.00 0.00 C ATOM 405 C TYR A 24 -2.420 -1.099 -9.089 1.00 0.00 C ATOM 406 O TYR A 24 -3.162 -0.140 -9.298 1.00 0.00 O ATOM 407 CB TYR A 24 -2.964 -2.244 -11.239 1.00 0.00 C ATOM 408 CG TYR A 24 -1.718 -2.279 -12.094 1.00 0.00 C ATOM 409 CD1 TYR A 24 -0.565 -1.617 -11.690 1.00 0.00 C ATOM 410 CD2 TYR A 24 -1.688 -2.978 -13.292 1.00 0.00 C ATOM 411 CE1 TYR A 24 0.583 -1.650 -12.457 1.00 0.00 C ATOM 412 CE2 TYR A 24 -0.542 -3.017 -14.064 1.00 0.00 C ATOM 413 CZ TYR A 24 0.589 -2.351 -13.643 1.00 0.00 C ATOM 414 OH TYR A 24 1.731 -2.388 -14.411 1.00 0.00 O ATOM 0 H TYR A 24 -4.593 -3.267 -9.638 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.762 -3.044 -9.660 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.652 -3.020 -11.575 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.469 -1.288 -11.378 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.567 -1.067 -10.760 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.573 -3.499 -13.626 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.471 -1.129 -12.129 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.533 -3.567 -14.993 1.00 0.00 H new ATOM 0 HH TYR A 24 2.515 -2.463 -13.828 1.00 0.00 H new ATOM 424 N VAL A 25 -1.356 -1.037 -8.296 1.00 0.00 N ATOM 425 CA VAL A 25 -0.983 0.188 -7.605 1.00 0.00 C ATOM 426 C VAL A 25 0.175 0.865 -8.320 1.00 0.00 C ATOM 427 O VAL A 25 1.194 0.234 -8.601 1.00 0.00 O ATOM 428 CB VAL A 25 -0.576 -0.074 -6.143 1.00 0.00 C ATOM 429 CG1 VAL A 25 -0.453 1.235 -5.381 1.00 0.00 C ATOM 430 CG2 VAL A 25 -1.569 -1.006 -5.466 1.00 0.00 C ATOM 0 H VAL A 25 -0.735 -1.826 -8.116 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.861 0.834 -7.610 1.00 0.00 H new ATOM 0 HB VAL A 25 0.399 -0.562 -6.140 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.165 1.030 -4.350 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.305 1.860 -5.852 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.411 1.755 -5.393 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.262 -1.177 -4.434 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.560 -0.553 -5.479 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.597 -1.957 -5.999 1.00 0.00 H new ATOM 440 N ILE A 26 0.019 2.148 -8.614 1.00 0.00 N ATOM 441 CA ILE A 26 1.062 2.900 -9.295 1.00 0.00 C ATOM 442 C ILE A 26 1.286 4.246 -8.618 1.00 0.00 C ATOM 443 O ILE A 26 0.405 5.103 -8.610 1.00 0.00 O ATOM 444 CB ILE A 26 0.714 3.126 -10.783 1.00 0.00 C ATOM 445 CG1 ILE A 26 0.063 1.875 -11.376 1.00 0.00 C ATOM 446 CG2 ILE A 26 1.962 3.498 -11.571 1.00 0.00 C ATOM 447 CD1 ILE A 26 -0.253 2.000 -12.852 1.00 0.00 C ATOM 0 H ILE A 26 -0.817 2.688 -8.392 1.00 0.00 H new ATOM 0 HA ILE A 26 1.977 2.310 -9.237 1.00 0.00 H new ATOM 0 HB ILE A 26 0.004 3.950 -10.849 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.727 1.024 -11.226 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.857 1.662 -10.832 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.699 3.654 -12.617 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.389 4.414 -11.164 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.693 2.693 -11.497 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.712 1.077 -13.205 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.941 2.831 -13.008 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.667 2.183 -13.407 1.00 0.00 H new ATOM 459 N VAL A 27 2.473 4.423 -8.046 1.00 0.00 N ATOM 460 CA VAL A 27 2.813 5.662 -7.363 1.00 0.00 C ATOM 461 C VAL A 27 3.423 6.668 -8.331 1.00 0.00 C ATOM 462 O VAL A 27 4.583 6.543 -8.720 1.00 0.00 O ATOM 463 CB VAL A 27 3.802 5.416 -6.210 1.00 0.00 C ATOM 464 CG1 VAL A 27 3.984 6.679 -5.382 1.00 0.00 C ATOM 465 CG2 VAL A 27 3.332 4.261 -5.338 1.00 0.00 C ATOM 0 H VAL A 27 3.214 3.722 -8.043 1.00 0.00 H new ATOM 0 HA VAL A 27 1.885 6.064 -6.956 1.00 0.00 H new ATOM 0 HB VAL A 27 4.768 5.148 -6.638 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.687 6.485 -4.572 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.372 7.477 -6.016 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.024 6.982 -4.965 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.045 4.103 -4.529 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.353 4.496 -4.919 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.261 3.356 -5.941 1.00 0.00 H new ATOM 475 N SER A 28 2.635 7.666 -8.713 1.00 0.00 N ATOM 476 CA SER A 28 3.100 8.695 -9.636 1.00 0.00 C ATOM 477 C SER A 28 3.983 9.709 -8.919 1.00 0.00 C ATOM 478 O SER A 28 3.988 9.785 -7.690 1.00 0.00 O ATOM 479 CB SER A 28 1.908 9.404 -10.282 1.00 0.00 C ATOM 480 OG SER A 28 2.310 10.617 -10.897 1.00 0.00 O ATOM 0 H SER A 28 1.672 7.785 -8.398 1.00 0.00 H new ATOM 0 HA SER A 28 3.692 8.212 -10.413 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.450 8.750 -11.024 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.149 9.609 -9.527 1.00 0.00 H new ATOM 0 HG SER A 28 1.531 11.051 -11.304 1.00 0.00 H new ATOM 486 N SER A 29 4.729 10.489 -9.693 1.00 0.00 N ATOM 487 CA SER A 29 5.616 11.503 -9.130 1.00 0.00 C ATOM 488 C SER A 29 4.856 12.434 -8.189 1.00 0.00 C ATOM 489 O SER A 29 4.040 13.244 -8.628 1.00 0.00 O ATOM 490 CB SER A 29 6.271 12.316 -10.248 1.00 0.00 C ATOM 491 OG SER A 29 7.112 11.501 -11.047 1.00 0.00 O ATOM 0 H SER A 29 4.738 10.440 -10.712 1.00 0.00 H new ATOM 0 HA SER A 29 6.390 10.992 -8.558 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.500 12.770 -10.871 1.00 0.00 H new ATOM 0 HB3 SER A 29 6.852 13.131 -9.817 1.00 0.00 H new ATOM 0 HG SER A 29 7.517 12.044 -11.755 1.00 0.00 H new ATOM 497 N LYS A 30 5.131 12.311 -6.894 1.00 0.00 N ATOM 498 CA LYS A 30 4.476 13.141 -5.888 1.00 0.00 C ATOM 499 C LYS A 30 2.980 12.847 -5.823 1.00 0.00 C ATOM 500 O LYS A 30 2.181 13.723 -5.492 1.00 0.00 O ATOM 501 CB LYS A 30 4.705 14.625 -6.189 1.00 0.00 C ATOM 502 CG LYS A 30 6.172 14.999 -6.324 1.00 0.00 C ATOM 503 CD LYS A 30 6.685 15.708 -5.080 1.00 0.00 C ATOM 504 CE LYS A 30 6.351 17.193 -5.106 1.00 0.00 C ATOM 505 NZ LYS A 30 7.574 18.037 -5.029 1.00 0.00 N ATOM 0 H LYS A 30 5.804 11.644 -6.516 1.00 0.00 H new ATOM 0 HA LYS A 30 4.915 12.902 -4.919 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.186 14.884 -7.112 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.258 15.222 -5.394 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.763 14.100 -6.501 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.305 15.644 -7.192 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.247 15.251 -4.193 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.765 15.578 -5.005 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.805 17.427 -6.020 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.692 17.432 -4.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.305 19.041 -5.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.082 17.833 -4.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.192 17.828 -5.839 1.00 0.00 H new ATOM 519 N LYS A 31 2.608 11.611 -6.139 1.00 0.00 N ATOM 520 CA LYS A 31 1.206 11.207 -6.113 1.00 0.00 C ATOM 521 C LYS A 31 1.075 9.687 -6.109 1.00 0.00 C ATOM 522 O LYS A 31 1.949 8.977 -6.603 1.00 0.00 O ATOM 523 CB LYS A 31 0.465 11.790 -7.318 1.00 0.00 C ATOM 524 CG LYS A 31 -1.021 11.469 -7.331 1.00 0.00 C ATOM 525 CD LYS A 31 -1.835 12.615 -7.910 1.00 0.00 C ATOM 526 CE LYS A 31 -1.855 13.813 -6.974 1.00 0.00 C ATOM 527 NZ LYS A 31 -2.948 13.712 -5.967 1.00 0.00 N ATOM 0 H LYS A 31 3.256 10.873 -6.415 1.00 0.00 H new ATOM 0 HA LYS A 31 0.760 11.593 -5.196 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.595 12.872 -7.325 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.919 11.409 -8.233 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.194 10.566 -7.917 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.358 11.259 -6.316 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.416 12.911 -8.872 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.855 12.280 -8.096 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.896 13.890 -6.462 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.980 14.726 -7.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.690 14.255 -5.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.827 14.095 -6.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.091 12.715 -5.709 1.00 0.00 H new ATOM 541 N ILE A 32 -0.024 9.194 -5.549 1.00 0.00 N ATOM 542 CA ILE A 32 -0.273 7.759 -5.483 1.00 0.00 C ATOM 543 C ILE A 32 -1.552 7.393 -6.227 1.00 0.00 C ATOM 544 O ILE A 32 -2.621 7.930 -5.942 1.00 0.00 O ATOM 545 CB ILE A 32 -0.381 7.270 -4.026 1.00 0.00 C ATOM 546 CG1 ILE A 32 0.774 7.824 -3.191 1.00 0.00 C ATOM 547 CG2 ILE A 32 -0.397 5.749 -3.977 1.00 0.00 C ATOM 548 CD1 ILE A 32 0.729 7.401 -1.738 1.00 0.00 C ATOM 0 H ILE A 32 -0.758 9.768 -5.134 1.00 0.00 H new ATOM 0 HA ILE A 32 0.577 7.268 -5.957 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.317 7.637 -3.604 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.717 7.495 -3.627 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.760 8.913 -3.244 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.474 5.419 -2.941 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.252 5.376 -4.541 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.523 5.361 -4.414 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.579 7.831 -1.207 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.198 7.753 -1.285 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.774 6.314 -1.674 1.00 0.00 H new ATOM 560 N LEU A 33 -1.434 6.478 -7.184 1.00 0.00 N ATOM 561 CA LEU A 33 -2.584 6.046 -7.971 1.00 0.00 C ATOM 562 C LEU A 33 -2.961 4.605 -7.644 1.00 0.00 C ATOM 563 O LEU A 33 -2.107 3.794 -7.286 1.00 0.00 O ATOM 564 CB LEU A 33 -2.285 6.181 -9.464 1.00 0.00 C ATOM 565 CG LEU A 33 -1.850 7.579 -9.913 1.00 0.00 C ATOM 566 CD1 LEU A 33 -0.706 7.490 -10.911 1.00 0.00 C ATOM 567 CD2 LEU A 33 -3.026 8.336 -10.514 1.00 0.00 C ATOM 0 H LEU A 33 -0.556 6.022 -7.433 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.427 6.688 -7.716 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.501 5.471 -9.728 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.175 5.896 -10.025 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.499 8.126 -9.038 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.412 8.494 -11.218 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.143 6.989 -10.447 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.029 6.924 -11.785 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.699 9.327 -10.828 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.407 7.790 -11.377 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.815 8.434 -9.769 1.00 0.00 H new ATOM 579 N PHE A 34 -4.246 4.295 -7.772 1.00 0.00 N ATOM 580 CA PHE A 34 -4.743 2.953 -7.491 1.00 0.00 C ATOM 581 C PHE A 34 -5.749 2.517 -8.552 1.00 0.00 C ATOM 582 O PHE A 34 -6.687 3.248 -8.869 1.00 0.00 O ATOM 583 CB PHE A 34 -5.390 2.905 -6.105 1.00 0.00 C ATOM 584 CG PHE A 34 -4.998 1.701 -5.298 1.00 0.00 C ATOM 585 CD1 PHE A 34 -5.701 0.513 -5.415 1.00 0.00 C ATOM 586 CD2 PHE A 34 -3.927 1.758 -4.421 1.00 0.00 C ATOM 587 CE1 PHE A 34 -5.342 -0.596 -4.672 1.00 0.00 C ATOM 588 CE2 PHE A 34 -3.564 0.654 -3.675 1.00 0.00 C ATOM 589 CZ PHE A 34 -4.272 -0.525 -3.801 1.00 0.00 C ATOM 0 H PHE A 34 -4.964 4.956 -8.069 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.898 2.265 -7.511 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.117 3.805 -5.555 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.474 2.918 -6.219 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.539 0.453 -6.094 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.369 2.677 -4.320 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.897 -1.517 -4.772 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.728 0.713 -2.994 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.990 -1.390 -3.220 1.00 0.00 H new ATOM 599 N TYR A 35 -5.547 1.322 -9.093 1.00 0.00 N ATOM 600 CA TYR A 35 -6.435 0.787 -10.118 1.00 0.00 C ATOM 601 C TYR A 35 -6.755 -0.680 -9.852 1.00 0.00 C ATOM 602 O TYR A 35 -6.221 -1.284 -8.921 1.00 0.00 O ATOM 603 CB TYR A 35 -5.802 0.937 -11.502 1.00 0.00 C ATOM 604 CG TYR A 35 -5.309 2.336 -11.798 1.00 0.00 C ATOM 605 CD1 TYR A 35 -4.071 2.768 -11.337 1.00 0.00 C ATOM 606 CD2 TYR A 35 -6.079 3.223 -12.538 1.00 0.00 C ATOM 607 CE1 TYR A 35 -3.616 4.045 -11.605 1.00 0.00 C ATOM 608 CE2 TYR A 35 -5.631 4.501 -12.812 1.00 0.00 C ATOM 609 CZ TYR A 35 -4.399 4.907 -12.343 1.00 0.00 C ATOM 610 OH TYR A 35 -3.947 6.179 -12.613 1.00 0.00 O ATOM 0 H TYR A 35 -4.776 0.705 -8.839 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.365 1.355 -10.087 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.967 0.242 -11.587 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.533 0.651 -12.259 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.455 2.095 -10.760 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.045 2.909 -12.906 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.652 4.366 -11.238 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.242 5.178 -13.390 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.617 6.658 -13.144 1.00 0.00 H new ATOM 620 N ASP A 36 -7.628 -1.247 -10.677 1.00 0.00 N ATOM 621 CA ASP A 36 -8.018 -2.644 -10.536 1.00 0.00 C ATOM 622 C ASP A 36 -7.391 -3.497 -11.635 1.00 0.00 C ATOM 623 O ASP A 36 -7.163 -4.693 -11.452 1.00 0.00 O ATOM 624 CB ASP A 36 -9.541 -2.778 -10.577 1.00 0.00 C ATOM 625 CG ASP A 36 -10.005 -4.191 -10.288 1.00 0.00 C ATOM 626 OD1 ASP A 36 -9.615 -5.109 -11.040 1.00 0.00 O ATOM 627 OD2 ASP A 36 -10.760 -4.380 -9.312 1.00 0.00 O ATOM 0 H ASP A 36 -8.079 -0.760 -11.451 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.655 -3.001 -9.572 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.982 -2.098 -9.849 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.903 -2.473 -11.559 1.00 0.00 H new ATOM 632 N SER A 37 -7.113 -2.875 -12.776 1.00 0.00 N ATOM 633 CA SER A 37 -6.512 -3.578 -13.903 1.00 0.00 C ATOM 634 C SER A 37 -5.956 -2.593 -14.926 1.00 0.00 C ATOM 635 O SER A 37 -6.127 -1.381 -14.792 1.00 0.00 O ATOM 636 CB SER A 37 -7.542 -4.495 -14.568 1.00 0.00 C ATOM 637 OG SER A 37 -7.474 -5.807 -14.037 1.00 0.00 O ATOM 0 H SER A 37 -7.294 -1.885 -12.944 1.00 0.00 H new ATOM 0 HA SER A 37 -5.688 -4.183 -13.523 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.543 -4.091 -14.420 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.366 -4.525 -15.643 1.00 0.00 H new ATOM 0 HG SER A 37 -7.354 -5.761 -13.065 1.00 0.00 H new ATOM 643 N GLU A 38 -5.289 -3.120 -15.948 1.00 0.00 N ATOM 644 CA GLU A 38 -4.707 -2.286 -16.993 1.00 0.00 C ATOM 645 C GLU A 38 -5.798 -1.588 -17.799 1.00 0.00 C ATOM 646 O GLU A 38 -5.619 -0.458 -18.255 1.00 0.00 O ATOM 647 CB GLU A 38 -3.834 -3.131 -17.922 1.00 0.00 C ATOM 648 CG GLU A 38 -2.653 -3.784 -17.220 1.00 0.00 C ATOM 649 CD GLU A 38 -1.331 -3.482 -17.900 1.00 0.00 C ATOM 650 OE1 GLU A 38 -1.343 -3.159 -19.106 1.00 0.00 O ATOM 651 OE2 GLU A 38 -0.284 -3.569 -17.224 1.00 0.00 O ATOM 0 H GLU A 38 -5.138 -4.121 -16.075 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.088 -1.526 -16.516 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.449 -3.907 -18.379 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.463 -2.501 -18.730 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.613 -3.439 -16.187 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.804 -4.863 -17.190 1.00 0.00 H new ATOM 658 N GLN A 39 -6.927 -2.266 -17.968 1.00 0.00 N ATOM 659 CA GLN A 39 -8.049 -1.710 -18.717 1.00 0.00 C ATOM 660 C GLN A 39 -8.543 -0.417 -18.079 1.00 0.00 C ATOM 661 O GLN A 39 -8.690 0.604 -18.751 1.00 0.00 O ATOM 662 CB GLN A 39 -9.191 -2.725 -18.792 1.00 0.00 C ATOM 663 CG GLN A 39 -8.793 -4.042 -19.438 1.00 0.00 C ATOM 664 CD GLN A 39 -8.368 -5.084 -18.422 1.00 0.00 C ATOM 665 OE1 GLN A 39 -9.167 -5.525 -17.596 1.00 0.00 O ATOM 666 NE2 GLN A 39 -7.103 -5.484 -18.480 1.00 0.00 N ATOM 0 H GLN A 39 -7.090 -3.202 -17.597 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.704 -1.486 -19.726 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.559 -2.921 -17.785 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.017 -2.289 -19.354 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.632 -4.426 -20.018 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -7.976 -3.867 -20.137 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.476 -5.091 -19.182 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.759 -6.184 -17.823 1.00 0.00 H new ATOM 675 N ASP A 40 -8.798 -0.467 -16.775 1.00 0.00 N ATOM 676 CA ASP A 40 -9.275 0.701 -16.045 1.00 0.00 C ATOM 677 C ASP A 40 -8.199 1.781 -15.982 1.00 0.00 C ATOM 678 O ASP A 40 -8.505 2.973 -15.917 1.00 0.00 O ATOM 679 CB ASP A 40 -9.700 0.305 -14.629 1.00 0.00 C ATOM 680 CG ASP A 40 -11.182 -0.003 -14.535 1.00 0.00 C ATOM 681 OD1 ASP A 40 -11.970 0.647 -15.254 1.00 0.00 O ATOM 682 OD2 ASP A 40 -11.554 -0.893 -13.743 1.00 0.00 O ATOM 0 H ASP A 40 -8.682 -1.304 -16.203 1.00 0.00 H new ATOM 0 HA ASP A 40 -10.137 1.103 -16.577 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.129 -0.568 -14.312 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.455 1.113 -13.940 1.00 0.00 H new ATOM 687 N LYS A 41 -6.939 1.359 -16.004 1.00 0.00 N ATOM 688 CA LYS A 41 -5.820 2.290 -15.951 1.00 0.00 C ATOM 689 C LYS A 41 -5.704 3.077 -17.253 1.00 0.00 C ATOM 690 O LYS A 41 -5.635 4.306 -17.244 1.00 0.00 O ATOM 691 CB LYS A 41 -4.515 1.538 -15.678 1.00 0.00 C ATOM 692 CG LYS A 41 -3.546 2.303 -14.789 1.00 0.00 C ATOM 693 CD LYS A 41 -2.838 3.409 -15.557 1.00 0.00 C ATOM 694 CE LYS A 41 -1.405 3.025 -15.892 1.00 0.00 C ATOM 695 NZ LYS A 41 -0.896 3.761 -17.083 1.00 0.00 N ATOM 0 H LYS A 41 -6.668 0.377 -16.058 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.003 2.992 -15.138 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.748 0.582 -15.209 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.027 1.317 -16.627 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.086 2.733 -13.946 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.808 1.615 -14.377 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.383 3.622 -16.477 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.842 4.324 -14.965 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.764 3.233 -15.035 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.351 1.952 -16.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.083 3.471 -17.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.492 3.543 -17.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.923 4.784 -16.897 1.00 0.00 H new ATOM 709 N GLU A 42 -5.684 2.358 -18.371 1.00 0.00 N ATOM 710 CA GLU A 42 -5.577 2.987 -19.683 1.00 0.00 C ATOM 711 C GLU A 42 -6.741 3.945 -19.929 1.00 0.00 C ATOM 712 O GLU A 42 -6.636 4.866 -20.740 1.00 0.00 O ATOM 713 CB GLU A 42 -5.537 1.921 -20.780 1.00 0.00 C ATOM 714 CG GLU A 42 -4.287 1.059 -20.743 1.00 0.00 C ATOM 715 CD GLU A 42 -3.904 0.530 -22.113 1.00 0.00 C ATOM 716 OE1 GLU A 42 -4.818 0.254 -22.918 1.00 0.00 O ATOM 717 OE2 GLU A 42 -2.691 0.394 -22.378 1.00 0.00 O ATOM 0 H GLU A 42 -5.740 1.340 -18.395 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.650 3.560 -19.707 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.413 1.280 -20.685 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.603 2.409 -21.752 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.460 1.642 -20.338 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.448 0.220 -20.065 1.00 0.00 H new ATOM 724 N GLN A 43 -7.850 3.721 -19.229 1.00 0.00 N ATOM 725 CA GLN A 43 -9.030 4.565 -19.377 1.00 0.00 C ATOM 726 C GLN A 43 -8.967 5.784 -18.456 1.00 0.00 C ATOM 727 O GLN A 43 -9.934 6.536 -18.345 1.00 0.00 O ATOM 728 CB GLN A 43 -10.297 3.758 -19.085 1.00 0.00 C ATOM 729 CG GLN A 43 -10.656 2.771 -20.182 1.00 0.00 C ATOM 730 CD GLN A 43 -11.895 3.182 -20.954 1.00 0.00 C ATOM 731 OE1 GLN A 43 -12.964 2.591 -20.795 1.00 0.00 O ATOM 732 NE2 GLN A 43 -11.758 4.201 -21.794 1.00 0.00 N ATOM 0 H GLN A 43 -7.955 2.963 -18.555 1.00 0.00 H new ATOM 0 HA GLN A 43 -9.056 4.921 -20.407 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -10.164 3.215 -18.149 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -11.130 4.446 -18.940 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -9.817 2.679 -20.871 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -10.817 1.787 -19.742 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -10.853 4.661 -21.894 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -12.557 4.523 -22.339 1.00 0.00 H new ATOM 741 N SER A 44 -7.827 5.976 -17.796 1.00 0.00 N ATOM 742 CA SER A 44 -7.649 7.105 -16.890 1.00 0.00 C ATOM 743 C SER A 44 -8.691 7.079 -15.774 1.00 0.00 C ATOM 744 O SER A 44 -9.093 8.124 -15.264 1.00 0.00 O ATOM 745 CB SER A 44 -7.746 8.422 -17.660 1.00 0.00 C ATOM 746 OG SER A 44 -6.869 9.395 -17.118 1.00 0.00 O ATOM 0 H SER A 44 -7.014 5.364 -17.872 1.00 0.00 H new ATOM 0 HA SER A 44 -6.659 7.025 -16.441 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.503 8.253 -18.709 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.771 8.792 -17.626 1.00 0.00 H new ATOM 0 HG SER A 44 -6.948 10.228 -17.629 1.00 0.00 H new ATOM 752 N ASN A 45 -9.121 5.879 -15.400 1.00 0.00 N ATOM 753 CA ASN A 45 -10.115 5.719 -14.344 1.00 0.00 C ATOM 754 C ASN A 45 -9.476 5.145 -13.080 1.00 0.00 C ATOM 755 O ASN A 45 -9.548 3.942 -12.829 1.00 0.00 O ATOM 756 CB ASN A 45 -11.254 4.812 -14.818 1.00 0.00 C ATOM 757 CG ASN A 45 -12.617 5.444 -14.618 1.00 0.00 C ATOM 758 OD1 ASN A 45 -13.533 4.817 -14.086 1.00 0.00 O ATOM 759 ND2 ASN A 45 -12.758 6.695 -15.044 1.00 0.00 N ATOM 0 H ASN A 45 -8.798 5.004 -15.812 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.522 6.702 -14.108 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -11.115 4.581 -15.874 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.212 3.867 -14.276 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -13.653 7.173 -14.935 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -11.972 7.177 -15.480 1.00 0.00 H new ATOM 766 N PRO A 46 -8.841 6.003 -12.264 1.00 0.00 N ATOM 767 CA PRO A 46 -8.188 5.577 -11.023 1.00 0.00 C ATOM 768 C PRO A 46 -9.190 5.224 -9.930 1.00 0.00 C ATOM 769 O PRO A 46 -9.980 6.066 -9.503 1.00 0.00 O ATOM 770 CB PRO A 46 -7.366 6.800 -10.619 1.00 0.00 C ATOM 771 CG PRO A 46 -8.101 7.957 -11.206 1.00 0.00 C ATOM 772 CD PRO A 46 -8.708 7.456 -12.489 1.00 0.00 C ATOM 0 HA PRO A 46 -7.594 4.674 -11.165 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.291 6.887 -9.535 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.349 6.739 -11.005 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.872 8.316 -10.524 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.427 8.793 -11.394 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.674 7.922 -12.685 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -8.070 7.673 -13.346 1.00 0.00 H new ATOM 780 N TYR A 47 -9.150 3.974 -9.478 1.00 0.00 N ATOM 781 CA TYR A 47 -10.053 3.511 -8.430 1.00 0.00 C ATOM 782 C TYR A 47 -9.856 4.320 -7.152 1.00 0.00 C ATOM 783 O TYR A 47 -10.804 4.555 -6.402 1.00 0.00 O ATOM 784 CB TYR A 47 -9.820 2.025 -8.149 1.00 0.00 C ATOM 785 CG TYR A 47 -10.723 1.463 -7.074 1.00 0.00 C ATOM 786 CD1 TYR A 47 -10.493 1.741 -5.732 1.00 0.00 C ATOM 787 CD2 TYR A 47 -11.804 0.654 -7.400 1.00 0.00 C ATOM 788 CE1 TYR A 47 -11.315 1.229 -4.747 1.00 0.00 C ATOM 789 CE2 TYR A 47 -12.631 0.138 -6.421 1.00 0.00 C ATOM 790 CZ TYR A 47 -12.382 0.429 -5.097 1.00 0.00 C ATOM 791 OH TYR A 47 -13.203 -0.082 -4.117 1.00 0.00 O ATOM 0 H TYR A 47 -8.502 3.264 -9.821 1.00 0.00 H new ATOM 0 HA TYR A 47 -11.077 3.651 -8.775 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.971 1.462 -9.070 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.781 1.878 -7.853 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.658 2.367 -5.455 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.001 0.424 -8.437 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -11.123 1.454 -3.708 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -13.467 -0.489 -6.691 1.00 0.00 H new ATOM 0 HH TYR A 47 -13.907 -0.624 -4.530 1.00 0.00 H new ATOM 801 N MET A 48 -8.620 4.743 -6.912 1.00 0.00 N ATOM 802 CA MET A 48 -8.295 5.527 -5.725 1.00 0.00 C ATOM 803 C MET A 48 -6.940 6.208 -5.884 1.00 0.00 C ATOM 804 O MET A 48 -6.007 5.631 -6.442 1.00 0.00 O ATOM 805 CB MET A 48 -8.288 4.633 -4.484 1.00 0.00 C ATOM 806 CG MET A 48 -8.119 5.398 -3.183 1.00 0.00 C ATOM 807 SD MET A 48 -7.353 4.405 -1.887 1.00 0.00 S ATOM 808 CE MET A 48 -5.833 3.911 -2.695 1.00 0.00 C ATOM 0 H MET A 48 -7.826 4.556 -7.524 1.00 0.00 H new ATOM 0 HA MET A 48 -9.058 6.296 -5.604 1.00 0.00 H new ATOM 0 HB2 MET A 48 -9.221 4.071 -4.446 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.481 3.906 -4.575 1.00 0.00 H new ATOM 0 HG2 MET A 48 -7.511 6.284 -3.364 1.00 0.00 H new ATOM 0 HG3 MET A 48 -9.094 5.745 -2.841 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.022 3.899 -1.967 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.954 2.915 -3.120 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.597 4.619 -3.490 1.00 0.00 H new ATOM 818 N VAL A 49 -6.838 7.439 -5.393 1.00 0.00 N ATOM 819 CA VAL A 49 -5.596 8.195 -5.487 1.00 0.00 C ATOM 820 C VAL A 49 -5.284 8.914 -4.176 1.00 0.00 C ATOM 821 O VAL A 49 -6.163 9.527 -3.569 1.00 0.00 O ATOM 822 CB VAL A 49 -5.654 9.228 -6.631 1.00 0.00 C ATOM 823 CG1 VAL A 49 -6.751 10.252 -6.377 1.00 0.00 C ATOM 824 CG2 VAL A 49 -4.306 9.911 -6.809 1.00 0.00 C ATOM 0 H VAL A 49 -7.599 7.933 -4.927 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.803 7.477 -5.696 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.891 8.700 -7.555 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.774 10.971 -7.196 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.714 9.745 -6.312 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.552 10.774 -5.441 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.370 10.635 -7.621 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.033 10.423 -5.886 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.548 9.164 -7.047 1.00 0.00 H new ATOM 834 N LEU A 50 -4.027 8.835 -3.750 1.00 0.00 N ATOM 835 CA LEU A 50 -3.597 9.481 -2.514 1.00 0.00 C ATOM 836 C LEU A 50 -2.398 10.387 -2.768 1.00 0.00 C ATOM 837 O LEU A 50 -1.572 10.111 -3.639 1.00 0.00 O ATOM 838 CB LEU A 50 -3.238 8.432 -1.455 1.00 0.00 C ATOM 839 CG LEU A 50 -4.034 7.125 -1.531 1.00 0.00 C ATOM 840 CD1 LEU A 50 -3.207 6.032 -2.195 1.00 0.00 C ATOM 841 CD2 LEU A 50 -4.479 6.692 -0.141 1.00 0.00 C ATOM 0 H LEU A 50 -3.289 8.331 -4.242 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.424 10.088 -2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.177 8.198 -1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.385 8.871 -0.468 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.922 7.297 -2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.789 5.112 -2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.939 6.341 -3.205 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.300 5.860 -1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.043 5.762 -0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.603 6.538 0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.109 7.466 0.297 1.00 0.00 H new ATOM 853 N ASP A 51 -2.308 11.471 -2.005 1.00 0.00 N ATOM 854 CA ASP A 51 -1.209 12.417 -2.149 1.00 0.00 C ATOM 855 C ASP A 51 -0.011 11.990 -1.308 1.00 0.00 C ATOM 856 O ASP A 51 -0.117 11.837 -0.091 1.00 0.00 O ATOM 857 CB ASP A 51 -1.659 13.821 -1.742 1.00 0.00 C ATOM 858 CG ASP A 51 -2.852 14.301 -2.544 1.00 0.00 C ATOM 859 OD1 ASP A 51 -3.984 13.866 -2.243 1.00 0.00 O ATOM 860 OD2 ASP A 51 -2.657 15.113 -3.472 1.00 0.00 O ATOM 0 H ASP A 51 -2.983 11.716 -1.281 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.909 12.430 -3.197 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.912 13.825 -0.682 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.831 14.518 -1.875 1.00 0.00 H new ATOM 865 N ILE A 52 1.130 11.796 -1.965 1.00 0.00 N ATOM 866 CA ILE A 52 2.348 11.385 -1.275 1.00 0.00 C ATOM 867 C ILE A 52 2.726 12.388 -0.190 1.00 0.00 C ATOM 868 O ILE A 52 3.133 12.008 0.907 1.00 0.00 O ATOM 869 CB ILE A 52 3.526 11.231 -2.258 1.00 0.00 C ATOM 870 CG1 ILE A 52 3.153 10.266 -3.386 1.00 0.00 C ATOM 871 CG2 ILE A 52 4.773 10.746 -1.528 1.00 0.00 C ATOM 872 CD1 ILE A 52 4.288 9.989 -4.348 1.00 0.00 C ATOM 0 H ILE A 52 1.236 11.917 -2.972 1.00 0.00 H new ATOM 0 HA ILE A 52 2.144 10.418 -0.815 1.00 0.00 H new ATOM 0 HB ILE A 52 3.744 12.206 -2.694 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.819 9.324 -2.951 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.310 10.678 -3.941 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.594 10.643 -2.238 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.047 11.467 -0.758 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.571 9.780 -1.065 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.950 9.298 -5.120 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.608 10.922 -4.812 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.124 9.547 -3.806 1.00 0.00 H new ATOM 884 N ASP A 53 2.591 13.670 -0.505 1.00 0.00 N ATOM 885 CA ASP A 53 2.918 14.730 0.442 1.00 0.00 C ATOM 886 C ASP A 53 2.019 14.657 1.673 1.00 0.00 C ATOM 887 O ASP A 53 2.388 15.124 2.750 1.00 0.00 O ATOM 888 CB ASP A 53 2.778 16.097 -0.231 1.00 0.00 C ATOM 889 CG ASP A 53 3.104 17.245 0.706 1.00 0.00 C ATOM 890 OD1 ASP A 53 3.771 17.001 1.734 1.00 0.00 O ATOM 891 OD2 ASP A 53 2.693 18.386 0.411 1.00 0.00 O ATOM 0 H ASP A 53 2.257 14.002 -1.410 1.00 0.00 H new ATOM 0 HA ASP A 53 3.950 14.594 0.764 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.439 16.141 -1.097 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.759 16.213 -0.601 1.00 0.00 H new ATOM 896 N LYS A 54 0.839 14.067 1.507 1.00 0.00 N ATOM 897 CA LYS A 54 -0.110 13.933 2.605 1.00 0.00 C ATOM 898 C LYS A 54 0.284 12.793 3.542 1.00 0.00 C ATOM 899 O LYS A 54 -0.182 12.728 4.680 1.00 0.00 O ATOM 900 CB LYS A 54 -1.519 13.696 2.058 1.00 0.00 C ATOM 901 CG LYS A 54 -2.301 14.978 1.817 1.00 0.00 C ATOM 902 CD LYS A 54 -3.787 14.780 2.071 1.00 0.00 C ATOM 903 CE LYS A 54 -4.538 16.101 2.037 1.00 0.00 C ATOM 904 NZ LYS A 54 -5.890 15.957 1.431 1.00 0.00 N ATOM 0 H LYS A 54 0.518 13.674 0.622 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.096 14.862 3.176 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.448 13.142 1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.071 13.069 2.758 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.921 15.765 2.468 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.147 15.312 0.791 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.199 14.106 1.320 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.931 14.303 3.040 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.634 16.490 3.051 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.962 16.831 1.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.369 16.880 1.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.798 15.610 0.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.449 15.279 1.987 1.00 0.00 H new ATOM 918 N LEU A 55 1.140 11.894 3.061 1.00 0.00 N ATOM 919 CA LEU A 55 1.586 10.761 3.864 1.00 0.00 C ATOM 920 C LEU A 55 2.154 11.224 5.201 1.00 0.00 C ATOM 921 O LEU A 55 2.725 12.310 5.303 1.00 0.00 O ATOM 922 CB LEU A 55 2.644 9.951 3.109 1.00 0.00 C ATOM 923 CG LEU A 55 2.157 9.268 1.828 1.00 0.00 C ATOM 924 CD1 LEU A 55 3.183 8.256 1.344 1.00 0.00 C ATOM 925 CD2 LEU A 55 0.810 8.598 2.055 1.00 0.00 C ATOM 0 H LEU A 55 1.537 11.929 2.122 1.00 0.00 H new ATOM 0 HA LEU A 55 0.718 10.129 4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.472 10.613 2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.040 9.188 3.779 1.00 0.00 H new ATOM 0 HG LEU A 55 2.033 10.029 1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.822 7.779 0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.126 8.763 1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.338 7.499 2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.482 8.119 1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.905 7.848 2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.077 9.347 2.355 1.00 0.00 H new ATOM 937 N PHE A 56 1.993 10.391 6.223 1.00 0.00 N ATOM 938 CA PHE A 56 2.491 10.711 7.555 1.00 0.00 C ATOM 939 C PHE A 56 3.624 9.771 7.948 1.00 0.00 C ATOM 940 O PHE A 56 4.575 10.175 8.616 1.00 0.00 O ATOM 941 CB PHE A 56 1.360 10.623 8.580 1.00 0.00 C ATOM 942 CG PHE A 56 0.509 11.859 8.640 1.00 0.00 C ATOM 943 CD1 PHE A 56 1.089 13.111 8.764 1.00 0.00 C ATOM 944 CD2 PHE A 56 -0.872 11.768 8.571 1.00 0.00 C ATOM 945 CE1 PHE A 56 0.308 14.250 8.818 1.00 0.00 C ATOM 946 CE2 PHE A 56 -1.658 12.903 8.625 1.00 0.00 C ATOM 947 CZ PHE A 56 -1.067 14.146 8.748 1.00 0.00 C ATOM 0 H PHE A 56 1.521 9.489 6.154 1.00 0.00 H new ATOM 0 HA PHE A 56 2.876 11.731 7.538 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.728 9.768 8.340 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.787 10.437 9.566 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.164 13.198 8.819 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.339 10.799 8.474 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.773 15.220 8.915 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.733 12.819 8.571 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.680 15.035 8.789 1.00 0.00 H new ATOM 957 N HIS A 57 3.515 8.512 7.530 1.00 0.00 N ATOM 958 CA HIS A 57 4.535 7.517 7.842 1.00 0.00 C ATOM 959 C HIS A 57 4.197 6.167 7.214 1.00 0.00 C ATOM 960 O HIS A 57 3.085 5.659 7.365 1.00 0.00 O ATOM 961 CB HIS A 57 4.683 7.366 9.357 1.00 0.00 C ATOM 962 CG HIS A 57 6.105 7.399 9.826 1.00 0.00 C ATOM 963 ND1 HIS A 57 6.462 7.672 11.129 1.00 0.00 N ATOM 964 CD2 HIS A 57 7.264 7.192 9.156 1.00 0.00 C ATOM 965 CE1 HIS A 57 7.779 7.633 11.240 1.00 0.00 C ATOM 966 NE2 HIS A 57 8.287 7.343 10.057 1.00 0.00 N ATOM 0 H HIS A 57 2.734 8.159 6.977 1.00 0.00 H new ATOM 0 HA HIS A 57 5.480 7.862 7.423 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.128 8.165 9.849 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.229 6.425 9.666 1.00 0.00 H new ATOM 0 HD2 HIS A 57 7.364 6.953 8.108 1.00 0.00 H new ATOM 0 HE1 HIS A 57 8.343 7.808 12.144 1.00 0.00 H new ATOM 0 HE2 HIS A 57 9.280 7.247 9.847 1.00 0.00 H new ATOM 975 N VAL A 58 5.169 5.590 6.517 1.00 0.00 N ATOM 976 CA VAL A 58 4.989 4.295 5.871 1.00 0.00 C ATOM 977 C VAL A 58 6.142 3.357 6.215 1.00 0.00 C ATOM 978 O VAL A 58 7.311 3.725 6.098 1.00 0.00 O ATOM 979 CB VAL A 58 4.891 4.436 4.339 1.00 0.00 C ATOM 980 CG1 VAL A 58 6.099 5.180 3.790 1.00 0.00 C ATOM 981 CG2 VAL A 58 4.752 3.069 3.681 1.00 0.00 C ATOM 0 H VAL A 58 6.093 6.000 6.384 1.00 0.00 H new ATOM 0 HA VAL A 58 4.054 3.877 6.244 1.00 0.00 H new ATOM 0 HB VAL A 58 3.999 5.017 4.105 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.010 5.269 2.707 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.146 6.175 4.233 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.008 4.630 4.036 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.684 3.191 2.600 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.622 2.458 3.924 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.850 2.579 4.048 1.00 0.00 H new ATOM 991 N ARG A 59 5.807 2.144 6.644 1.00 0.00 N ATOM 992 CA ARG A 59 6.820 1.158 7.005 1.00 0.00 C ATOM 993 C ARG A 59 6.228 -0.248 7.048 1.00 0.00 C ATOM 994 O ARG A 59 5.017 -0.417 7.195 1.00 0.00 O ATOM 995 CB ARG A 59 7.437 1.505 8.362 1.00 0.00 C ATOM 996 CG ARG A 59 6.423 1.988 9.389 1.00 0.00 C ATOM 997 CD ARG A 59 6.864 1.659 10.804 1.00 0.00 C ATOM 998 NE ARG A 59 6.395 2.652 11.769 1.00 0.00 N ATOM 999 CZ ARG A 59 6.306 2.431 13.078 1.00 0.00 C ATOM 1000 NH1 ARG A 59 6.657 1.256 13.585 1.00 0.00 N ATOM 1001 NH2 ARG A 59 5.866 3.389 13.884 1.00 0.00 N ATOM 0 H ARG A 59 4.845 1.821 6.750 1.00 0.00 H new ATOM 0 HA ARG A 59 7.597 1.179 6.241 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.948 0.626 8.754 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.194 2.277 8.221 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.288 3.065 9.290 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.456 1.526 9.192 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.485 0.676 11.082 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.952 1.603 10.841 1.00 0.00 H new ATOM 0 HE ARG A 59 6.120 3.569 11.418 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.997 0.516 12.970 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.587 1.092 14.589 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.596 4.295 13.500 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.798 3.220 14.888 1.00 0.00 H new ATOM 1015 N PRO A 60 7.080 -1.280 6.922 1.00 0.00 N ATOM 1016 CA PRO A 60 6.639 -2.678 6.948 1.00 0.00 C ATOM 1017 C PRO A 60 6.014 -3.061 8.284 1.00 0.00 C ATOM 1018 O PRO A 60 6.448 -2.598 9.338 1.00 0.00 O ATOM 1019 CB PRO A 60 7.930 -3.473 6.717 1.00 0.00 C ATOM 1020 CG PRO A 60 9.029 -2.541 7.095 1.00 0.00 C ATOM 1021 CD PRO A 60 8.537 -1.167 6.745 1.00 0.00 C ATOM 0 HA PRO A 60 5.868 -2.872 6.202 1.00 0.00 H new ATOM 0 HB2 PRO A 60 7.952 -4.377 7.326 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.019 -3.788 5.677 1.00 0.00 H new ATOM 0 HG2 PRO A 60 9.257 -2.616 8.158 1.00 0.00 H new ATOM 0 HG3 PRO A 60 9.946 -2.778 6.555 1.00 0.00 H new ATOM 0 HD2 PRO A 60 8.965 -0.407 7.399 1.00 0.00 H new ATOM 0 HD3 PRO A 60 8.799 -0.893 5.723 1.00 0.00 H new ATOM 1029 N VAL A 61 4.993 -3.907 8.233 1.00 0.00 N ATOM 1030 CA VAL A 61 4.311 -4.352 9.441 1.00 0.00 C ATOM 1031 C VAL A 61 4.886 -5.671 9.943 1.00 0.00 C ATOM 1032 O VAL A 61 5.651 -6.334 9.240 1.00 0.00 O ATOM 1033 CB VAL A 61 2.795 -4.516 9.208 1.00 0.00 C ATOM 1034 CG1 VAL A 61 2.178 -3.202 8.758 1.00 0.00 C ATOM 1035 CG2 VAL A 61 2.519 -5.616 8.192 1.00 0.00 C ATOM 0 H VAL A 61 4.619 -4.298 7.368 1.00 0.00 H new ATOM 0 HA VAL A 61 4.470 -3.581 10.194 1.00 0.00 H new ATOM 0 HB VAL A 61 2.335 -4.805 10.153 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.108 -3.338 8.599 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.337 -2.444 9.525 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.645 -2.880 7.827 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.443 -5.713 8.044 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.994 -5.363 7.244 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.921 -6.560 8.559 1.00 0.00 H new ATOM 1045 N THR A 62 4.518 -6.047 11.164 1.00 0.00 N ATOM 1046 CA THR A 62 5.000 -7.287 11.760 1.00 0.00 C ATOM 1047 C THR A 62 3.836 -8.194 12.146 1.00 0.00 C ATOM 1048 O THR A 62 2.680 -7.905 11.833 1.00 0.00 O ATOM 1049 CB THR A 62 5.856 -6.985 12.990 1.00 0.00 C ATOM 1050 OG1 THR A 62 5.065 -6.433 14.028 1.00 0.00 O ATOM 1051 CG2 THR A 62 6.986 -6.019 12.710 1.00 0.00 C ATOM 0 H THR A 62 3.887 -5.510 11.760 1.00 0.00 H new ATOM 0 HA THR A 62 5.609 -7.805 11.019 1.00 0.00 H new ATOM 0 HB THR A 62 6.284 -7.943 13.287 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.648 -6.102 14.743 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.554 -5.848 13.625 1.00 0.00 H new ATOM 0 HG22 THR A 62 7.643 -6.439 11.948 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.577 -5.073 12.355 1.00 0.00 H new ATOM 1059 N GLN A 63 4.148 -9.292 12.825 1.00 0.00 N ATOM 1060 CA GLN A 63 3.129 -10.243 13.256 1.00 0.00 C ATOM 1061 C GLN A 63 2.158 -9.604 14.249 1.00 0.00 C ATOM 1062 O GLN A 63 1.075 -10.132 14.493 1.00 0.00 O ATOM 1063 CB GLN A 63 3.782 -11.473 13.887 1.00 0.00 C ATOM 1064 CG GLN A 63 2.885 -12.700 13.900 1.00 0.00 C ATOM 1065 CD GLN A 63 2.808 -13.379 12.548 1.00 0.00 C ATOM 1066 OE1 GLN A 63 3.747 -14.055 12.124 1.00 0.00 O ATOM 1067 NE2 GLN A 63 1.685 -13.203 11.859 1.00 0.00 N ATOM 0 H GLN A 63 5.100 -9.546 13.089 1.00 0.00 H new ATOM 0 HA GLN A 63 2.565 -10.548 12.374 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.697 -11.708 13.342 1.00 0.00 H new ATOM 0 HB3 GLN A 63 4.072 -11.235 14.910 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.257 -13.410 14.638 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.883 -12.409 14.214 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.932 -12.635 12.248 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.576 -13.636 10.942 1.00 0.00 H new ATOM 1076 N THR A 64 2.552 -8.470 14.821 1.00 0.00 N ATOM 1077 CA THR A 64 1.711 -7.771 15.787 1.00 0.00 C ATOM 1078 C THR A 64 0.616 -6.969 15.087 1.00 0.00 C ATOM 1079 O THR A 64 -0.440 -6.712 15.663 1.00 0.00 O ATOM 1080 CB THR A 64 2.563 -6.842 16.654 1.00 0.00 C ATOM 1081 OG1 THR A 64 3.358 -5.991 15.847 1.00 0.00 O ATOM 1082 CG2 THR A 64 3.491 -7.583 17.592 1.00 0.00 C ATOM 0 H THR A 64 3.446 -8.017 14.633 1.00 0.00 H new ATOM 0 HA THR A 64 1.235 -8.519 16.421 1.00 0.00 H new ATOM 0 HB THR A 64 1.851 -6.270 17.249 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.041 -6.521 15.386 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.066 -6.865 18.177 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.905 -8.211 18.263 1.00 0.00 H new ATOM 0 HG23 THR A 64 4.172 -8.207 17.013 1.00 0.00 H new ATOM 1090 N ASP A 65 0.875 -6.574 13.843 1.00 0.00 N ATOM 1091 CA ASP A 65 -0.090 -5.800 13.071 1.00 0.00 C ATOM 1092 C ASP A 65 -1.247 -6.675 12.594 1.00 0.00 C ATOM 1093 O ASP A 65 -2.339 -6.177 12.320 1.00 0.00 O ATOM 1094 CB ASP A 65 0.597 -5.142 11.872 1.00 0.00 C ATOM 1095 CG ASP A 65 0.088 -3.737 11.613 1.00 0.00 C ATOM 1096 OD1 ASP A 65 -1.095 -3.594 11.240 1.00 0.00 O ATOM 1097 OD2 ASP A 65 0.874 -2.781 11.784 1.00 0.00 O ATOM 0 H ASP A 65 1.744 -6.777 13.350 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.496 -5.025 13.722 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.673 -5.109 12.046 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.436 -5.753 10.984 1.00 0.00 H new ATOM 1102 N VAL A 66 -1.000 -7.977 12.491 1.00 0.00 N ATOM 1103 CA VAL A 66 -2.023 -8.912 12.041 1.00 0.00 C ATOM 1104 C VAL A 66 -2.051 -10.158 12.920 1.00 0.00 C ATOM 1105 O VAL A 66 -1.300 -10.265 13.889 1.00 0.00 O ATOM 1106 CB VAL A 66 -1.792 -9.333 10.577 1.00 0.00 C ATOM 1107 CG1 VAL A 66 -2.314 -8.267 9.627 1.00 0.00 C ATOM 1108 CG2 VAL A 66 -0.317 -9.607 10.323 1.00 0.00 C ATOM 0 H VAL A 66 -0.102 -8.407 12.713 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.981 -8.397 12.116 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.344 -10.255 10.393 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.142 -8.581 8.598 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.382 -8.126 9.790 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.792 -7.328 9.811 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.176 -9.903 9.283 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.261 -8.705 10.525 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.022 -10.410 10.978 1.00 0.00 H new ATOM 1118 N TYR A 67 -2.923 -11.098 12.574 1.00 0.00 N ATOM 1119 CA TYR A 67 -3.054 -12.340 13.328 1.00 0.00 C ATOM 1120 C TYR A 67 -3.447 -13.491 12.409 1.00 0.00 C ATOM 1121 O TYR A 67 -2.839 -14.561 12.442 1.00 0.00 O ATOM 1122 CB TYR A 67 -4.091 -12.178 14.440 1.00 0.00 C ATOM 1123 CG TYR A 67 -5.455 -11.752 13.944 1.00 0.00 C ATOM 1124 CD1 TYR A 67 -5.736 -10.415 13.697 1.00 0.00 C ATOM 1125 CD2 TYR A 67 -6.458 -12.687 13.721 1.00 0.00 C ATOM 1126 CE1 TYR A 67 -6.982 -10.021 13.243 1.00 0.00 C ATOM 1127 CE2 TYR A 67 -7.704 -12.302 13.266 1.00 0.00 C ATOM 1128 CZ TYR A 67 -7.961 -10.968 13.029 1.00 0.00 C ATOM 1129 OH TYR A 67 -9.201 -10.579 12.577 1.00 0.00 O ATOM 0 H TYR A 67 -3.551 -11.024 11.774 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.088 -12.571 13.776 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.188 -13.123 14.975 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.729 -11.442 15.157 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.970 -9.671 13.862 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.260 -13.732 13.907 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -7.187 -8.977 13.057 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -8.473 -13.042 13.097 1.00 0.00 H new ATOM 0 HH TYR A 67 -9.775 -11.367 12.477 1.00 0.00 H new ATOM 1139 N ARG A 68 -4.466 -13.262 11.587 1.00 0.00 N ATOM 1140 CA ARG A 68 -4.940 -14.281 10.656 1.00 0.00 C ATOM 1141 C ARG A 68 -3.998 -14.418 9.462 1.00 0.00 C ATOM 1142 O ARG A 68 -3.998 -15.442 8.778 1.00 0.00 O ATOM 1143 CB ARG A 68 -6.361 -13.962 10.169 1.00 0.00 C ATOM 1144 CG ARG A 68 -6.588 -12.500 9.802 1.00 0.00 C ATOM 1145 CD ARG A 68 -6.113 -12.191 8.391 1.00 0.00 C ATOM 1146 NE ARG A 68 -5.505 -10.866 8.302 1.00 0.00 N ATOM 1147 CZ ARG A 68 -5.398 -10.171 7.171 1.00 0.00 C ATOM 1148 NH1 ARG A 68 -5.842 -10.677 6.027 1.00 0.00 N ATOM 1149 NH2 ARG A 68 -4.840 -8.968 7.185 1.00 0.00 N ATOM 0 H ARG A 68 -4.979 -12.381 11.546 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.959 -15.230 11.192 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.581 -14.581 9.299 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.070 -14.243 10.948 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.649 -12.264 9.888 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.061 -11.861 10.511 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.390 -12.944 8.077 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.956 -12.251 7.702 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.140 -10.448 9.158 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.268 -11.604 6.011 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.757 -10.139 5.164 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.494 -8.577 8.061 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.757 -8.434 6.320 1.00 0.00 H new ATOM 1163 N ALA A 69 -3.197 -13.385 9.216 1.00 0.00 N ATOM 1164 CA ALA A 69 -2.251 -13.400 8.106 1.00 0.00 C ATOM 1165 C ALA A 69 -1.301 -14.589 8.207 1.00 0.00 C ATOM 1166 O ALA A 69 -1.522 -15.507 8.998 1.00 0.00 O ATOM 1167 CB ALA A 69 -1.469 -12.093 8.064 1.00 0.00 C ATOM 0 H ALA A 69 -3.185 -12.529 9.770 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.816 -13.503 7.179 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.766 -12.116 7.231 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.160 -11.260 7.933 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.921 -11.967 8.998 1.00 0.00 H new ATOM 1173 N ASP A 70 -0.242 -14.568 7.403 1.00 0.00 N ATOM 1174 CA ASP A 70 0.741 -15.645 7.405 1.00 0.00 C ATOM 1175 C ASP A 70 2.134 -15.105 7.718 1.00 0.00 C ATOM 1176 O ASP A 70 2.530 -14.054 7.219 1.00 0.00 O ATOM 1177 CB ASP A 70 0.750 -16.360 6.053 1.00 0.00 C ATOM 1178 CG ASP A 70 0.915 -17.860 6.193 1.00 0.00 C ATOM 1179 OD1 ASP A 70 -0.111 -18.561 6.321 1.00 0.00 O ATOM 1180 OD2 ASP A 70 2.071 -18.335 6.174 1.00 0.00 O ATOM 0 H ASP A 70 -0.043 -13.817 6.742 1.00 0.00 H new ATOM 0 HA ASP A 70 0.462 -16.358 8.181 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.180 -16.147 5.527 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.560 -15.964 5.441 1.00 0.00 H new ATOM 1185 N ALA A 71 2.871 -15.835 8.551 1.00 0.00 N ATOM 1186 CA ALA A 71 4.221 -15.433 8.938 1.00 0.00 C ATOM 1187 C ALA A 71 5.065 -15.066 7.720 1.00 0.00 C ATOM 1188 O ALA A 71 5.973 -14.239 7.810 1.00 0.00 O ATOM 1189 CB ALA A 71 4.893 -16.544 9.729 1.00 0.00 C ATOM 0 H ALA A 71 2.556 -16.709 8.972 1.00 0.00 H new ATOM 0 HA ALA A 71 4.139 -14.546 9.566 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.899 -16.232 10.012 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.312 -16.754 10.627 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.951 -17.443 9.116 1.00 0.00 H new ATOM 1195 N LYS A 72 4.760 -15.684 6.585 1.00 0.00 N ATOM 1196 CA LYS A 72 5.491 -15.421 5.352 1.00 0.00 C ATOM 1197 C LYS A 72 5.051 -14.099 4.730 1.00 0.00 C ATOM 1198 O LYS A 72 5.838 -13.418 4.072 1.00 0.00 O ATOM 1199 CB LYS A 72 5.280 -16.563 4.355 1.00 0.00 C ATOM 1200 CG LYS A 72 5.683 -17.925 4.897 1.00 0.00 C ATOM 1201 CD LYS A 72 6.997 -18.398 4.299 1.00 0.00 C ATOM 1202 CE LYS A 72 7.495 -19.664 4.978 1.00 0.00 C ATOM 1203 NZ LYS A 72 8.095 -20.619 4.005 1.00 0.00 N ATOM 0 H LYS A 72 4.011 -16.371 6.493 1.00 0.00 H new ATOM 0 HA LYS A 72 6.551 -15.352 5.595 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.229 -16.592 4.066 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.854 -16.356 3.452 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.774 -17.873 5.982 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.900 -18.651 4.677 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.867 -18.583 3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.746 -17.612 4.397 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.236 -19.403 5.734 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.667 -20.147 5.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.422 -21.468 4.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.381 -20.889 3.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.901 -20.168 3.528 1.00 0.00 H new ATOM 1217 N GLU A 73 3.787 -13.743 4.942 1.00 0.00 N ATOM 1218 CA GLU A 73 3.240 -12.503 4.402 1.00 0.00 C ATOM 1219 C GLU A 73 3.642 -11.301 5.253 1.00 0.00 C ATOM 1220 O GLU A 73 3.801 -10.194 4.741 1.00 0.00 O ATOM 1221 CB GLU A 73 1.715 -12.590 4.317 1.00 0.00 C ATOM 1222 CG GLU A 73 1.217 -13.748 3.467 1.00 0.00 C ATOM 1223 CD GLU A 73 1.827 -13.755 2.078 1.00 0.00 C ATOM 1224 OE1 GLU A 73 3.045 -14.010 1.965 1.00 0.00 O ATOM 1225 OE2 GLU A 73 1.085 -13.508 1.104 1.00 0.00 O ATOM 0 H GLU A 73 3.123 -14.296 5.484 1.00 0.00 H new ATOM 0 HA GLU A 73 3.651 -12.366 3.402 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.309 -12.688 5.324 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.329 -11.657 3.907 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.450 -14.688 3.967 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.132 -13.692 3.383 1.00 0.00 H new ATOM 1232 N ILE A 74 3.799 -11.522 6.556 1.00 0.00 N ATOM 1233 CA ILE A 74 4.175 -10.451 7.478 1.00 0.00 C ATOM 1234 C ILE A 74 5.331 -9.611 6.930 1.00 0.00 C ATOM 1235 O ILE A 74 5.236 -8.385 6.867 1.00 0.00 O ATOM 1236 CB ILE A 74 4.562 -11.003 8.866 1.00 0.00 C ATOM 1237 CG1 ILE A 74 3.480 -11.950 9.393 1.00 0.00 C ATOM 1238 CG2 ILE A 74 4.790 -9.860 9.845 1.00 0.00 C ATOM 1239 CD1 ILE A 74 2.084 -11.365 9.348 1.00 0.00 C ATOM 0 H ILE A 74 3.672 -12.432 6.998 1.00 0.00 H new ATOM 0 HA ILE A 74 3.296 -9.816 7.583 1.00 0.00 H new ATOM 0 HB ILE A 74 5.490 -11.566 8.765 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.498 -12.869 8.808 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.717 -12.222 10.421 1.00 0.00 H new ATOM 0 HG21 ILE A 74 5.062 -10.265 10.820 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.595 -9.223 9.479 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.876 -9.273 9.938 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.372 -12.093 9.737 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.048 -10.461 9.957 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.826 -11.119 8.318 1.00 0.00 H new ATOM 1251 N PRO A 75 6.445 -10.253 6.527 1.00 0.00 N ATOM 1252 CA PRO A 75 7.609 -9.542 5.989 1.00 0.00 C ATOM 1253 C PRO A 75 7.355 -8.963 4.597 1.00 0.00 C ATOM 1254 O PRO A 75 8.184 -8.223 4.067 1.00 0.00 O ATOM 1255 CB PRO A 75 8.686 -10.625 5.925 1.00 0.00 C ATOM 1256 CG PRO A 75 7.929 -11.897 5.776 1.00 0.00 C ATOM 1257 CD PRO A 75 6.661 -11.713 6.562 1.00 0.00 C ATOM 0 HA PRO A 75 7.878 -8.684 6.605 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.361 -10.464 5.084 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.297 -10.631 6.828 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.713 -12.103 4.728 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.505 -12.741 6.155 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.828 -12.253 6.113 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.765 -12.079 7.583 1.00 0.00 H new ATOM 1265 N ARG A 76 6.213 -9.306 4.005 1.00 0.00 N ATOM 1266 CA ARG A 76 5.870 -8.816 2.674 1.00 0.00 C ATOM 1267 C ARG A 76 4.685 -7.852 2.721 1.00 0.00 C ATOM 1268 O ARG A 76 4.079 -7.557 1.693 1.00 0.00 O ATOM 1269 CB ARG A 76 5.545 -9.989 1.747 1.00 0.00 C ATOM 1270 CG ARG A 76 6.541 -11.133 1.838 1.00 0.00 C ATOM 1271 CD ARG A 76 6.395 -12.094 0.670 1.00 0.00 C ATOM 1272 NE ARG A 76 5.598 -13.268 1.023 1.00 0.00 N ATOM 1273 CZ ARG A 76 5.606 -14.405 0.330 1.00 0.00 C ATOM 1274 NH1 ARG A 76 6.363 -14.526 -0.753 1.00 0.00 N ATOM 1275 NH2 ARG A 76 4.852 -15.423 0.721 1.00 0.00 N ATOM 0 H ARG A 76 5.513 -9.918 4.424 1.00 0.00 H new ATOM 0 HA ARG A 76 6.734 -8.275 2.287 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.550 -10.365 1.986 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.511 -9.629 0.719 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.555 -10.733 1.857 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.393 -11.672 2.774 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.928 -11.577 -0.168 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.383 -12.413 0.337 1.00 0.00 H new ATOM 0 HE ARG A 76 5.001 -13.213 1.848 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.944 -13.745 -1.059 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.364 -15.400 -1.279 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.267 -15.335 1.552 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.857 -16.295 0.191 1.00 0.00 H new ATOM 1289 N ILE A 77 4.357 -7.363 3.915 1.00 0.00 N ATOM 1290 CA ILE A 77 3.243 -6.434 4.076 1.00 0.00 C ATOM 1291 C ILE A 77 3.712 -5.111 4.674 1.00 0.00 C ATOM 1292 O ILE A 77 4.445 -5.089 5.664 1.00 0.00 O ATOM 1293 CB ILE A 77 2.135 -7.034 4.969 1.00 0.00 C ATOM 1294 CG1 ILE A 77 1.561 -8.295 4.321 1.00 0.00 C ATOM 1295 CG2 ILE A 77 1.030 -6.016 5.219 1.00 0.00 C ATOM 1296 CD1 ILE A 77 0.940 -9.257 5.311 1.00 0.00 C ATOM 0 H ILE A 77 4.845 -7.594 4.781 1.00 0.00 H new ATOM 0 HA ILE A 77 2.835 -6.251 3.082 1.00 0.00 H new ATOM 0 HB ILE A 77 2.575 -7.301 5.930 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.808 -8.006 3.587 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.355 -8.808 3.778 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.261 -6.461 5.850 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.447 -5.141 5.718 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.590 -5.716 4.268 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.554 -10.127 4.780 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.694 -9.576 6.030 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.124 -8.762 5.837 1.00 0.00 H new ATOM 1308 N PHE A 78 3.281 -4.008 4.068 1.00 0.00 N ATOM 1309 CA PHE A 78 3.652 -2.679 4.542 1.00 0.00 C ATOM 1310 C PHE A 78 2.427 -1.773 4.626 1.00 0.00 C ATOM 1311 O PHE A 78 1.506 -1.879 3.816 1.00 0.00 O ATOM 1312 CB PHE A 78 4.706 -2.057 3.623 1.00 0.00 C ATOM 1313 CG PHE A 78 4.337 -2.089 2.166 1.00 0.00 C ATOM 1314 CD1 PHE A 78 4.248 -3.293 1.485 1.00 0.00 C ATOM 1315 CD2 PHE A 78 4.083 -0.914 1.477 1.00 0.00 C ATOM 1316 CE1 PHE A 78 3.912 -3.324 0.145 1.00 0.00 C ATOM 1317 CE2 PHE A 78 3.748 -0.938 0.136 1.00 0.00 C ATOM 1318 CZ PHE A 78 3.663 -2.145 -0.531 1.00 0.00 C ATOM 0 H PHE A 78 2.675 -4.009 3.248 1.00 0.00 H new ATOM 0 HA PHE A 78 4.075 -2.781 5.541 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.871 -1.022 3.924 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.650 -2.584 3.760 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.444 -4.218 2.008 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.148 0.032 1.994 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.844 -4.269 -0.373 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.553 -0.015 -0.389 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.402 -2.167 -1.579 1.00 0.00 H new ATOM 1328 N GLN A 79 2.419 -0.884 5.615 1.00 0.00 N ATOM 1329 CA GLN A 79 1.304 0.038 5.810 1.00 0.00 C ATOM 1330 C GLN A 79 1.719 1.475 5.513 1.00 0.00 C ATOM 1331 O GLN A 79 2.822 1.900 5.859 1.00 0.00 O ATOM 1332 CB GLN A 79 0.776 -0.069 7.242 1.00 0.00 C ATOM 1333 CG GLN A 79 -0.371 0.880 7.542 1.00 0.00 C ATOM 1334 CD GLN A 79 -0.833 0.800 8.984 1.00 0.00 C ATOM 1335 OE1 GLN A 79 -1.337 -0.364 9.380 1.00 0.00 O flip ATOM 1336 NE2 GLN A 79 -0.739 1.772 9.733 1.00 0.00 N flip ATOM 0 H GLN A 79 3.173 -0.782 6.295 1.00 0.00 H new ATOM 0 HA GLN A 79 0.512 -0.238 5.114 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.446 -1.092 7.423 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.592 0.130 7.937 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.060 1.901 7.320 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.209 0.651 6.883 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.345 2.647 9.386 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.055 1.703 10.700 1.00 0.00 H new ATOM 1345 N ILE A 80 0.823 2.221 4.870 1.00 0.00 N ATOM 1346 CA ILE A 80 1.085 3.614 4.525 1.00 0.00 C ATOM 1347 C ILE A 80 0.019 4.532 5.115 1.00 0.00 C ATOM 1348 O ILE A 80 -1.154 4.444 4.755 1.00 0.00 O ATOM 1349 CB ILE A 80 1.128 3.820 2.997 1.00 0.00 C ATOM 1350 CG1 ILE A 80 1.981 2.737 2.329 1.00 0.00 C ATOM 1351 CG2 ILE A 80 1.657 5.206 2.664 1.00 0.00 C ATOM 1352 CD1 ILE A 80 1.288 2.056 1.169 1.00 0.00 C ATOM 0 H ILE A 80 -0.093 1.881 4.577 1.00 0.00 H new ATOM 0 HA ILE A 80 2.059 3.865 4.946 1.00 0.00 H new ATOM 0 HB ILE A 80 0.113 3.738 2.609 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.910 3.184 1.976 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.250 1.987 3.073 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.681 5.336 1.582 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.005 5.960 3.105 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.664 5.317 3.065 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.949 1.301 0.743 1.00 0.00 H new ATOM 0 HD12 ILE A 80 0.372 1.580 1.521 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.043 2.796 0.407 1.00 0.00 H new ATOM 1364 N LEU A 81 0.433 5.415 6.019 1.00 0.00 N ATOM 1365 CA LEU A 81 -0.492 6.346 6.653 1.00 0.00 C ATOM 1366 C LEU A 81 -0.604 7.637 5.849 1.00 0.00 C ATOM 1367 O LEU A 81 0.398 8.182 5.388 1.00 0.00 O ATOM 1368 CB LEU A 81 -0.041 6.662 8.081 1.00 0.00 C ATOM 1369 CG LEU A 81 -0.890 7.705 8.812 1.00 0.00 C ATOM 1370 CD1 LEU A 81 -2.239 7.119 9.199 1.00 0.00 C ATOM 1371 CD2 LEU A 81 -0.160 8.222 10.041 1.00 0.00 C ATOM 0 H LEU A 81 1.401 5.505 6.328 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.473 5.871 6.686 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.048 5.739 8.661 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.991 7.012 8.051 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.061 8.543 8.137 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.829 7.875 9.718 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.768 6.799 8.301 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.089 6.262 9.856 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.779 8.962 10.547 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.043 7.393 10.719 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.781 8.682 9.739 1.00 0.00 H new ATOM 1383 N TYR A 82 -1.831 8.122 5.689 1.00 0.00 N ATOM 1384 CA TYR A 82 -2.076 9.352 4.943 1.00 0.00 C ATOM 1385 C TYR A 82 -3.224 10.142 5.561 1.00 0.00 C ATOM 1386 O TYR A 82 -4.221 9.570 6.000 1.00 0.00 O ATOM 1387 CB TYR A 82 -2.391 9.036 3.480 1.00 0.00 C ATOM 1388 CG TYR A 82 -3.332 7.868 3.300 1.00 0.00 C ATOM 1389 CD1 TYR A 82 -2.913 6.570 3.561 1.00 0.00 C ATOM 1390 CD2 TYR A 82 -4.638 8.062 2.870 1.00 0.00 C ATOM 1391 CE1 TYR A 82 -3.769 5.499 3.398 1.00 0.00 C ATOM 1392 CE2 TYR A 82 -5.501 6.995 2.705 1.00 0.00 C ATOM 1393 CZ TYR A 82 -5.061 5.716 2.971 1.00 0.00 C ATOM 1394 OH TYR A 82 -5.917 4.650 2.808 1.00 0.00 O ATOM 0 H TYR A 82 -2.671 7.683 6.066 1.00 0.00 H new ATOM 0 HA TYR A 82 -1.172 9.959 4.989 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.828 9.919 3.013 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -1.460 8.825 2.954 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -1.901 6.396 3.897 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -4.985 9.063 2.661 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -3.427 4.495 3.604 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.514 7.162 2.370 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.714 3.962 3.476 1.00 0.00 H new ATOM 1404 N ALA A 83 -3.076 11.463 5.593 1.00 0.00 N ATOM 1405 CA ALA A 83 -4.101 12.332 6.156 1.00 0.00 C ATOM 1406 C ALA A 83 -5.324 12.396 5.248 1.00 0.00 C ATOM 1407 O ALA A 83 -5.218 12.753 4.075 1.00 0.00 O ATOM 1408 CB ALA A 83 -3.538 13.726 6.393 1.00 0.00 C ATOM 0 H ALA A 83 -2.256 11.954 5.236 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.415 11.914 7.112 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.314 14.365 6.814 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.700 13.667 7.088 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -3.196 14.146 5.447 1.00 0.00 H new ATOM 1414 N ASN A 84 -6.483 12.046 5.795 1.00 0.00 N ATOM 1415 CA ASN A 84 -7.725 12.061 5.030 1.00 0.00 C ATOM 1416 C ASN A 84 -8.559 13.298 5.358 1.00 0.00 C ATOM 1417 O ASN A 84 -9.079 13.963 4.464 1.00 0.00 O ATOM 1418 CB ASN A 84 -8.532 10.784 5.302 1.00 0.00 C ATOM 1419 CG ASN A 84 -9.268 10.821 6.629 1.00 0.00 C ATOM 1420 OD1 ASN A 84 -10.404 11.290 6.709 1.00 0.00 O ATOM 1421 ND2 ASN A 84 -8.624 10.325 7.678 1.00 0.00 N ATOM 0 H ASN A 84 -6.589 11.748 6.765 1.00 0.00 H new ATOM 0 HA ASN A 84 -7.470 12.098 3.971 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -9.252 10.637 4.497 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.860 9.926 5.289 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -9.070 10.323 8.596 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.684 9.946 7.567 1.00 0.00 H new ATOM 1428 N GLU A 85 -8.681 13.596 6.648 1.00 0.00 N ATOM 1429 CA GLU A 85 -9.452 14.750 7.096 1.00 0.00 C ATOM 1430 C GLU A 85 -8.551 15.768 7.788 1.00 0.00 C ATOM 1431 O GLU A 85 -8.626 16.966 7.516 1.00 0.00 O ATOM 1432 CB GLU A 85 -10.566 14.308 8.047 1.00 0.00 C ATOM 1433 CG GLU A 85 -11.722 13.612 7.349 1.00 0.00 C ATOM 1434 CD GLU A 85 -12.969 14.472 7.282 1.00 0.00 C ATOM 1435 OE1 GLU A 85 -13.164 15.305 8.192 1.00 0.00 O ATOM 1436 OE2 GLU A 85 -13.750 14.312 6.320 1.00 0.00 O ATOM 0 H GLU A 85 -8.256 13.055 7.401 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.898 15.221 6.220 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.147 13.636 8.796 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.946 15.181 8.578 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.419 13.339 6.338 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.953 12.685 7.874 1.00 0.00 H new ATOM 1443 N GLY A 86 -7.697 15.281 8.682 1.00 0.00 N ATOM 1444 CA GLY A 86 -6.793 16.157 9.400 1.00 0.00 C ATOM 1445 C GLY A 86 -5.465 15.493 9.702 1.00 0.00 C ATOM 1446 O GLY A 86 -4.548 15.521 8.881 1.00 0.00 O ATOM 0 H GLY A 86 -7.616 14.293 8.922 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.620 17.058 8.811 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.260 16.471 10.334 1.00 0.00 H new ATOM 1450 N ILE A 87 -5.360 14.891 10.882 1.00 0.00 N ATOM 1451 CA ILE A 87 -4.134 14.216 11.288 1.00 0.00 C ATOM 1452 C ILE A 87 -4.436 12.884 11.966 1.00 0.00 C ATOM 1453 O ILE A 87 -4.148 11.818 11.420 1.00 0.00 O ATOM 1454 CB ILE A 87 -3.299 15.081 12.252 1.00 0.00 C ATOM 1455 CG1 ILE A 87 -3.366 16.555 11.852 1.00 0.00 C ATOM 1456 CG2 ILE A 87 -1.859 14.597 12.277 1.00 0.00 C ATOM 1457 CD1 ILE A 87 -4.444 17.330 12.580 1.00 0.00 C ATOM 0 H ILE A 87 -6.109 14.857 11.573 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.561 14.042 10.377 1.00 0.00 H new ATOM 0 HB ILE A 87 -3.716 14.984 13.254 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.400 17.021 12.048 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.542 16.624 10.779 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.279 15.216 12.962 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.829 13.560 12.612 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.434 14.667 11.276 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -4.434 18.368 12.247 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.417 16.889 12.365 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -4.258 17.292 13.653 1.00 0.00 H new ATOM 1469 N SER A 88 -5.013 12.955 13.159 1.00 0.00 N ATOM 1470 CA SER A 88 -5.352 11.759 13.920 1.00 0.00 C ATOM 1471 C SER A 88 -6.301 10.859 13.135 1.00 0.00 C ATOM 1472 O SER A 88 -6.267 9.637 13.270 1.00 0.00 O ATOM 1473 CB SER A 88 -5.984 12.146 15.257 1.00 0.00 C ATOM 1474 OG SER A 88 -5.332 13.271 15.821 1.00 0.00 O ATOM 0 H SER A 88 -5.257 13.831 13.622 1.00 0.00 H new ATOM 0 HA SER A 88 -4.432 11.205 14.106 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.041 12.369 15.113 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.927 11.304 15.947 1.00 0.00 H new ATOM 0 HG SER A 88 -5.755 13.500 16.675 1.00 0.00 H new ATOM 1480 N SER A 89 -7.147 11.472 12.311 1.00 0.00 N ATOM 1481 CA SER A 89 -8.104 10.722 11.504 1.00 0.00 C ATOM 1482 C SER A 89 -7.405 10.009 10.350 1.00 0.00 C ATOM 1483 O SER A 89 -7.928 9.037 9.805 1.00 0.00 O ATOM 1484 CB SER A 89 -9.187 11.655 10.961 1.00 0.00 C ATOM 1485 OG SER A 89 -9.879 12.301 12.014 1.00 0.00 O ATOM 0 H SER A 89 -7.189 12.483 12.185 1.00 0.00 H new ATOM 0 HA SER A 89 -8.568 9.971 12.143 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.734 12.401 10.308 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.891 11.085 10.355 1.00 0.00 H new ATOM 0 HG SER A 89 -10.565 12.893 11.640 1.00 0.00 H new ATOM 1491 N ALA A 90 -6.223 10.504 9.981 1.00 0.00 N ATOM 1492 CA ALA A 90 -5.439 9.926 8.889 1.00 0.00 C ATOM 1493 C ALA A 90 -5.506 8.401 8.889 1.00 0.00 C ATOM 1494 O ALA A 90 -5.097 7.751 9.849 1.00 0.00 O ATOM 1495 CB ALA A 90 -3.994 10.386 8.985 1.00 0.00 C ATOM 0 H ALA A 90 -5.785 11.310 10.426 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.869 10.275 7.951 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.419 9.951 8.168 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.953 11.473 8.919 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.572 10.065 9.937 1.00 0.00 H new ATOM 1501 N LYS A 91 -6.024 7.840 7.801 1.00 0.00 N ATOM 1502 CA LYS A 91 -6.144 6.394 7.670 1.00 0.00 C ATOM 1503 C LYS A 91 -4.852 5.794 7.126 1.00 0.00 C ATOM 1504 O LYS A 91 -3.874 6.504 6.897 1.00 0.00 O ATOM 1505 CB LYS A 91 -7.313 6.040 6.750 1.00 0.00 C ATOM 1506 CG LYS A 91 -8.629 6.676 7.168 1.00 0.00 C ATOM 1507 CD LYS A 91 -9.069 6.199 8.543 1.00 0.00 C ATOM 1508 CE LYS A 91 -10.309 5.323 8.459 1.00 0.00 C ATOM 1509 NZ LYS A 91 -10.026 4.022 7.793 1.00 0.00 N ATOM 0 H LYS A 91 -6.367 8.366 6.997 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.332 5.976 8.659 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.073 6.354 5.734 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -7.433 4.957 6.729 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.523 7.761 7.175 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.399 6.435 6.435 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.259 5.640 9.012 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.273 7.060 9.180 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.693 5.141 9.463 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.089 5.850 7.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.897 3.454 7.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.683 4.194 6.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.300 3.507 8.331 1.00 0.00 H new ATOM 1523 N ASN A 92 -4.857 4.482 6.921 1.00 0.00 N ATOM 1524 CA ASN A 92 -3.683 3.789 6.405 1.00 0.00 C ATOM 1525 C ASN A 92 -4.068 2.812 5.299 1.00 0.00 C ATOM 1526 O ASN A 92 -5.234 2.444 5.160 1.00 0.00 O ATOM 1527 CB ASN A 92 -2.956 3.048 7.531 1.00 0.00 C ATOM 1528 CG ASN A 92 -3.899 2.505 8.591 1.00 0.00 C ATOM 1529 OD1 ASN A 92 -3.731 2.772 9.781 1.00 0.00 O ATOM 1530 ND2 ASN A 92 -4.897 1.740 8.163 1.00 0.00 N ATOM 0 H ASN A 92 -5.659 3.878 7.104 1.00 0.00 H new ATOM 0 HA ASN A 92 -3.011 4.537 5.985 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.384 2.224 7.105 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.241 3.724 8.001 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.562 1.348 8.830 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.999 1.544 7.167 1.00 0.00 H new ATOM 1537 N LEU A 93 -3.079 2.397 4.515 1.00 0.00 N ATOM 1538 CA LEU A 93 -3.312 1.464 3.419 1.00 0.00 C ATOM 1539 C LEU A 93 -2.393 0.253 3.533 1.00 0.00 C ATOM 1540 O LEU A 93 -1.172 0.377 3.436 1.00 0.00 O ATOM 1541 CB LEU A 93 -3.094 2.161 2.071 1.00 0.00 C ATOM 1542 CG LEU A 93 -4.274 2.074 1.100 1.00 0.00 C ATOM 1543 CD1 LEU A 93 -4.437 3.380 0.336 1.00 0.00 C ATOM 1544 CD2 LEU A 93 -4.085 0.912 0.137 1.00 0.00 C ATOM 0 H LEU A 93 -2.108 2.692 4.618 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.345 1.121 3.479 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.870 3.212 2.254 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.216 1.727 1.592 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.182 1.900 1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.281 3.298 -0.349 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.618 4.193 1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.529 3.586 -0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.933 0.864 -0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.167 1.057 -0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.019 -0.020 0.699 1.00 0.00 H new ATOM 1556 N LEU A 94 -2.986 -0.920 3.735 1.00 0.00 N ATOM 1557 CA LEU A 94 -2.216 -2.150 3.856 1.00 0.00 C ATOM 1558 C LEU A 94 -2.027 -2.796 2.491 1.00 0.00 C ATOM 1559 O LEU A 94 -2.996 -3.097 1.795 1.00 0.00 O ATOM 1560 CB LEU A 94 -2.916 -3.122 4.808 1.00 0.00 C ATOM 1561 CG LEU A 94 -2.790 -2.777 6.294 1.00 0.00 C ATOM 1562 CD1 LEU A 94 -1.404 -3.135 6.808 1.00 0.00 C ATOM 1563 CD2 LEU A 94 -3.083 -1.302 6.526 1.00 0.00 C ATOM 0 H LEU A 94 -3.995 -1.043 3.818 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.235 -1.905 4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.974 -3.162 4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.510 -4.121 4.647 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.523 -3.363 6.848 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.332 -2.883 7.866 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.232 -4.203 6.677 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.653 -2.576 6.250 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.989 -1.075 7.588 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.374 -0.697 5.961 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.097 -1.076 6.195 1.00 0.00 H new ATOM 1575 N LEU A 95 -0.771 -2.996 2.108 1.00 0.00 N ATOM 1576 CA LEU A 95 -0.458 -3.593 0.821 1.00 0.00 C ATOM 1577 C LEU A 95 0.481 -4.785 0.977 1.00 0.00 C ATOM 1578 O LEU A 95 1.607 -4.645 1.453 1.00 0.00 O ATOM 1579 CB LEU A 95 0.171 -2.545 -0.096 1.00 0.00 C ATOM 1580 CG LEU A 95 -0.706 -1.321 -0.370 1.00 0.00 C ATOM 1581 CD1 LEU A 95 -0.100 -0.477 -1.476 1.00 0.00 C ATOM 1582 CD2 LEU A 95 -2.122 -1.743 -0.739 1.00 0.00 C ATOM 0 H LEU A 95 0.044 -2.753 2.671 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.386 -3.954 0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.109 -2.210 0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.419 -3.017 -1.047 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.755 -0.723 0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.734 0.390 -1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.893 -0.143 -1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.024 -1.071 -2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.728 -0.857 -0.929 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.095 -2.364 -1.635 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.558 -2.311 0.083 1.00 0.00 H new ATOM 1594 N LEU A 96 0.003 -5.954 0.568 1.00 0.00 N ATOM 1595 CA LEU A 96 0.790 -7.176 0.653 1.00 0.00 C ATOM 1596 C LEU A 96 1.530 -7.423 -0.660 1.00 0.00 C ATOM 1597 O LEU A 96 0.948 -7.323 -1.741 1.00 0.00 O ATOM 1598 CB LEU A 96 -0.126 -8.361 0.993 1.00 0.00 C ATOM 1599 CG LEU A 96 0.448 -9.754 0.712 1.00 0.00 C ATOM 1600 CD1 LEU A 96 1.306 -10.220 1.877 1.00 0.00 C ATOM 1601 CD2 LEU A 96 -0.676 -10.745 0.445 1.00 0.00 C ATOM 0 H LEU A 96 -0.929 -6.081 0.173 1.00 0.00 H new ATOM 0 HA LEU A 96 1.531 -7.069 1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.385 -8.303 2.050 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.053 -8.251 0.431 1.00 0.00 H new ATOM 0 HG LEU A 96 1.077 -9.698 -0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.706 -11.211 1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.129 -9.521 2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.699 -10.263 2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.253 -11.730 0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.328 -10.799 1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.252 -10.417 -0.420 1.00 0.00 H new ATOM 1613 N ALA A 97 2.816 -7.742 -0.557 1.00 0.00 N ATOM 1614 CA ALA A 97 3.636 -7.998 -1.733 1.00 0.00 C ATOM 1615 C ALA A 97 3.866 -9.492 -1.930 1.00 0.00 C ATOM 1616 O ALA A 97 4.067 -10.232 -0.968 1.00 0.00 O ATOM 1617 CB ALA A 97 4.966 -7.269 -1.617 1.00 0.00 C ATOM 0 H ALA A 97 3.312 -7.829 0.330 1.00 0.00 H new ATOM 0 HA ALA A 97 3.102 -7.622 -2.605 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.569 -7.469 -2.503 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.787 -6.197 -1.534 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.496 -7.618 -0.731 1.00 0.00 H new ATOM 1623 N ASN A 98 3.837 -9.929 -3.184 1.00 0.00 N ATOM 1624 CA ASN A 98 4.046 -11.335 -3.511 1.00 0.00 C ATOM 1625 C ASN A 98 5.411 -11.807 -3.024 1.00 0.00 C ATOM 1626 O ASN A 98 5.600 -12.985 -2.722 1.00 0.00 O ATOM 1627 CB ASN A 98 3.925 -11.558 -5.020 1.00 0.00 C ATOM 1628 CG ASN A 98 2.734 -10.837 -5.619 1.00 0.00 C ATOM 1629 OD1 ASN A 98 1.620 -11.363 -5.639 1.00 0.00 O ATOM 1630 ND2 ASN A 98 2.962 -9.626 -6.114 1.00 0.00 N ATOM 0 H ASN A 98 3.671 -9.329 -3.992 1.00 0.00 H new ATOM 0 HA ASN A 98 3.276 -11.917 -3.005 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.837 -11.215 -5.509 1.00 0.00 H new ATOM 0 HB3 ASN A 98 3.838 -12.626 -5.220 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.199 -9.094 -6.532 1.00 0.00 H new ATOM 0 HD22 ASN A 98 3.900 -9.228 -6.077 1.00 0.00 H new ATOM 1637 N SER A 99 6.360 -10.878 -2.948 1.00 0.00 N ATOM 1638 CA SER A 99 7.708 -11.199 -2.496 1.00 0.00 C ATOM 1639 C SER A 99 8.202 -10.165 -1.491 1.00 0.00 C ATOM 1640 O SER A 99 7.845 -8.988 -1.568 1.00 0.00 O ATOM 1641 CB SER A 99 8.665 -11.270 -3.687 1.00 0.00 C ATOM 1642 OG SER A 99 8.593 -12.534 -4.324 1.00 0.00 O ATOM 0 H SER A 99 6.219 -9.898 -3.194 1.00 0.00 H new ATOM 0 HA SER A 99 7.680 -12.172 -2.006 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.420 -10.484 -4.402 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.685 -11.087 -3.349 1.00 0.00 H new ATOM 0 HG SER A 99 9.213 -12.554 -5.083 1.00 0.00 H new ATOM 1648 N THR A 100 9.027 -10.610 -0.548 1.00 0.00 N ATOM 1649 CA THR A 100 9.572 -9.722 0.475 1.00 0.00 C ATOM 1650 C THR A 100 10.314 -8.551 -0.160 1.00 0.00 C ATOM 1651 O THR A 100 10.145 -7.401 0.246 1.00 0.00 O ATOM 1652 CB THR A 100 10.516 -10.496 1.395 1.00 0.00 C ATOM 1653 OG1 THR A 100 10.079 -11.835 1.551 1.00 0.00 O ATOM 1654 CG2 THR A 100 10.640 -9.889 2.776 1.00 0.00 C ATOM 0 H THR A 100 9.333 -11.580 -0.471 1.00 0.00 H new ATOM 0 HA THR A 100 8.741 -9.328 1.061 1.00 0.00 H new ATOM 0 HB THR A 100 11.491 -10.453 0.909 1.00 0.00 H new ATOM 0 HG1 THR A 100 10.697 -12.314 2.142 1.00 0.00 H new ATOM 0 HG21 THR A 100 11.325 -10.488 3.377 1.00 0.00 H new ATOM 0 HG22 THR A 100 11.024 -8.872 2.693 1.00 0.00 H new ATOM 0 HG23 THR A 100 9.661 -9.869 3.254 1.00 0.00 H new ATOM 1662 N GLU A 101 11.137 -8.852 -1.159 1.00 0.00 N ATOM 1663 CA GLU A 101 11.911 -7.828 -1.853 1.00 0.00 C ATOM 1664 C GLU A 101 11.008 -6.708 -2.362 1.00 0.00 C ATOM 1665 O GLU A 101 11.377 -5.534 -2.321 1.00 0.00 O ATOM 1666 CB GLU A 101 12.682 -8.446 -3.021 1.00 0.00 C ATOM 1667 CG GLU A 101 13.461 -9.695 -2.642 1.00 0.00 C ATOM 1668 CD GLU A 101 14.446 -10.114 -3.718 1.00 0.00 C ATOM 1669 OE1 GLU A 101 14.820 -9.259 -4.546 1.00 0.00 O ATOM 1670 OE2 GLU A 101 14.841 -11.299 -3.731 1.00 0.00 O ATOM 0 H GLU A 101 11.286 -9.799 -1.507 1.00 0.00 H new ATOM 0 HA GLU A 101 12.619 -7.402 -1.142 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.981 -8.693 -3.818 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.373 -7.705 -3.422 1.00 0.00 H new ATOM 0 HG2 GLU A 101 13.999 -9.515 -1.711 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.764 -10.511 -2.454 1.00 0.00 H new ATOM 1677 N GLU A 102 9.825 -7.078 -2.841 1.00 0.00 N ATOM 1678 CA GLU A 102 8.871 -6.104 -3.357 1.00 0.00 C ATOM 1679 C GLU A 102 8.486 -5.097 -2.277 1.00 0.00 C ATOM 1680 O GLU A 102 8.407 -3.896 -2.534 1.00 0.00 O ATOM 1681 CB GLU A 102 7.621 -6.810 -3.886 1.00 0.00 C ATOM 1682 CG GLU A 102 7.157 -6.300 -5.240 1.00 0.00 C ATOM 1683 CD GLU A 102 7.273 -7.346 -6.331 1.00 0.00 C ATOM 1684 OE1 GLU A 102 8.400 -7.574 -6.819 1.00 0.00 O ATOM 1685 OE2 GLU A 102 6.236 -7.939 -6.698 1.00 0.00 O ATOM 0 H GLU A 102 9.504 -8.045 -2.882 1.00 0.00 H new ATOM 0 HA GLU A 102 9.346 -5.566 -4.177 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.822 -7.879 -3.960 1.00 0.00 H new ATOM 0 HB3 GLU A 102 6.813 -6.687 -3.165 1.00 0.00 H new ATOM 0 HG2 GLU A 102 6.120 -5.973 -5.165 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.747 -5.426 -5.516 1.00 0.00 H new ATOM 1692 N GLN A 103 8.249 -5.596 -1.068 1.00 0.00 N ATOM 1693 CA GLN A 103 7.872 -4.740 0.052 1.00 0.00 C ATOM 1694 C GLN A 103 8.986 -3.748 0.379 1.00 0.00 C ATOM 1695 O GLN A 103 8.722 -2.593 0.708 1.00 0.00 O ATOM 1696 CB GLN A 103 7.549 -5.590 1.285 1.00 0.00 C ATOM 1697 CG GLN A 103 7.317 -4.777 2.549 1.00 0.00 C ATOM 1698 CD GLN A 103 8.505 -4.813 3.490 1.00 0.00 C ATOM 1699 OE1 GLN A 103 9.250 -3.714 3.544 1.00 0.00 O flip ATOM 1700 NE2 GLN A 103 8.751 -5.814 4.163 1.00 0.00 N flip ATOM 0 H GLN A 103 8.311 -6.588 -0.839 1.00 0.00 H new ATOM 0 HA GLN A 103 6.984 -4.178 -0.235 1.00 0.00 H new ATOM 0 HB2 GLN A 103 6.660 -6.187 1.080 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.368 -6.287 1.458 1.00 0.00 H new ATOM 0 HG2 GLN A 103 7.104 -3.743 2.278 1.00 0.00 H new ATOM 0 HG3 GLN A 103 6.437 -5.159 3.066 1.00 0.00 H new ATOM 0 HE21 GLN A 103 8.153 -6.637 4.091 1.00 0.00 H new ATOM 0 HE22 GLN A 103 9.553 -5.821 4.793 1.00 0.00 H new ATOM 1709 N GLN A 104 10.229 -4.206 0.283 1.00 0.00 N ATOM 1710 CA GLN A 104 11.378 -3.352 0.569 1.00 0.00 C ATOM 1711 C GLN A 104 11.476 -2.230 -0.458 1.00 0.00 C ATOM 1712 O GLN A 104 11.797 -1.089 -0.120 1.00 0.00 O ATOM 1713 CB GLN A 104 12.683 -4.162 0.570 1.00 0.00 C ATOM 1714 CG GLN A 104 12.525 -5.612 1.001 1.00 0.00 C ATOM 1715 CD GLN A 104 11.724 -5.764 2.280 1.00 0.00 C ATOM 1716 OE1 GLN A 104 11.539 -4.804 3.028 1.00 0.00 O ATOM 1717 NE2 GLN A 104 11.247 -6.976 2.534 1.00 0.00 N ATOM 0 H GLN A 104 10.467 -5.160 0.011 1.00 0.00 H new ATOM 0 HA GLN A 104 11.233 -2.923 1.560 1.00 0.00 H new ATOM 0 HB2 GLN A 104 13.111 -4.139 -0.432 1.00 0.00 H new ATOM 0 HB3 GLN A 104 13.398 -3.675 1.233 1.00 0.00 H new ATOM 0 HG2 GLN A 104 12.036 -6.172 0.204 1.00 0.00 H new ATOM 0 HG3 GLN A 104 13.512 -6.053 1.142 1.00 0.00 H new ATOM 0 HE21 GLN A 104 11.426 -7.741 1.884 1.00 0.00 H new ATOM 0 HE22 GLN A 104 10.701 -7.142 3.379 1.00 0.00 H new ATOM 1726 N LYS A 105 11.204 -2.566 -1.713 1.00 0.00 N ATOM 1727 CA LYS A 105 11.265 -1.595 -2.798 1.00 0.00 C ATOM 1728 C LYS A 105 10.090 -0.625 -2.740 1.00 0.00 C ATOM 1729 O LYS A 105 10.275 0.588 -2.804 1.00 0.00 O ATOM 1730 CB LYS A 105 11.283 -2.314 -4.150 1.00 0.00 C ATOM 1731 CG LYS A 105 11.180 -1.376 -5.345 1.00 0.00 C ATOM 1732 CD LYS A 105 11.174 -2.145 -6.657 1.00 0.00 C ATOM 1733 CE LYS A 105 10.191 -1.544 -7.649 1.00 0.00 C ATOM 1734 NZ LYS A 105 10.632 -1.741 -9.057 1.00 0.00 N ATOM 0 H LYS A 105 10.938 -3.507 -2.005 1.00 0.00 H new ATOM 0 HA LYS A 105 12.185 -1.021 -2.683 1.00 0.00 H new ATOM 0 HB2 LYS A 105 12.204 -2.892 -4.232 1.00 0.00 H new ATOM 0 HB3 LYS A 105 10.457 -3.024 -4.185 1.00 0.00 H new ATOM 0 HG2 LYS A 105 10.269 -0.782 -5.266 1.00 0.00 H new ATOM 0 HG3 LYS A 105 12.017 -0.678 -5.335 1.00 0.00 H new ATOM 0 HD2 LYS A 105 12.175 -2.141 -7.087 1.00 0.00 H new ATOM 0 HD3 LYS A 105 10.912 -3.186 -6.469 1.00 0.00 H new ATOM 0 HE2 LYS A 105 9.210 -1.999 -7.509 1.00 0.00 H new ATOM 0 HE3 LYS A 105 10.080 -0.478 -7.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 9.935 -1.317 -9.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 11.556 -1.285 -9.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 10.714 -2.758 -9.256 1.00 0.00 H new ATOM 1748 N TRP A 106 8.879 -1.166 -2.635 1.00 0.00 N ATOM 1749 CA TRP A 106 7.678 -0.339 -2.588 1.00 0.00 C ATOM 1750 C TRP A 106 7.732 0.675 -1.452 1.00 0.00 C ATOM 1751 O TRP A 106 7.510 1.868 -1.658 1.00 0.00 O ATOM 1752 CB TRP A 106 6.437 -1.209 -2.437 1.00 0.00 C ATOM 1753 CG TRP A 106 5.751 -1.458 -3.738 1.00 0.00 C ATOM 1754 CD1 TRP A 106 6.028 -2.456 -4.617 1.00 0.00 C ATOM 1755 CD2 TRP A 106 4.696 -0.688 -4.320 1.00 0.00 C ATOM 1756 NE1 TRP A 106 5.195 -2.372 -5.705 1.00 0.00 N ATOM 1757 CE2 TRP A 106 4.370 -1.292 -5.547 1.00 0.00 C ATOM 1758 CE3 TRP A 106 3.988 0.448 -3.920 1.00 0.00 C ATOM 1759 CZ2 TRP A 106 3.371 -0.799 -6.379 1.00 0.00 C ATOM 1760 CZ3 TRP A 106 2.995 0.936 -4.751 1.00 0.00 C ATOM 1761 CH2 TRP A 106 2.696 0.313 -5.965 1.00 0.00 C ATOM 0 H TRP A 106 8.704 -2.169 -2.581 1.00 0.00 H new ATOM 0 HA TRP A 106 7.627 0.208 -3.529 1.00 0.00 H new ATOM 0 HB2 TRP A 106 6.718 -2.163 -1.990 1.00 0.00 H new ATOM 0 HB3 TRP A 106 5.741 -0.728 -1.750 1.00 0.00 H new ATOM 0 HD1 TRP A 106 6.792 -3.206 -4.480 1.00 0.00 H new ATOM 0 HE1 TRP A 106 5.192 -3.010 -6.501 1.00 0.00 H new ATOM 0 HE3 TRP A 106 4.211 0.935 -2.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 3.138 -1.278 -7.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 2.441 1.815 -4.456 1.00 0.00 H new ATOM 0 HH2 TRP A 106 1.914 0.720 -6.589 1.00 0.00 H new ATOM 1772 N VAL A 107 8.020 0.190 -0.250 1.00 0.00 N ATOM 1773 CA VAL A 107 8.090 1.047 0.926 1.00 0.00 C ATOM 1774 C VAL A 107 9.208 2.078 0.805 1.00 0.00 C ATOM 1775 O VAL A 107 8.997 3.265 1.048 1.00 0.00 O ATOM 1776 CB VAL A 107 8.300 0.215 2.208 1.00 0.00 C ATOM 1777 CG1 VAL A 107 8.314 1.111 3.437 1.00 0.00 C ATOM 1778 CG2 VAL A 107 7.222 -0.850 2.332 1.00 0.00 C ATOM 0 H VAL A 107 8.209 -0.795 -0.065 1.00 0.00 H new ATOM 0 HA VAL A 107 7.137 1.572 0.990 1.00 0.00 H new ATOM 0 HB VAL A 107 9.268 -0.281 2.140 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.463 0.503 4.329 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.125 1.834 3.351 1.00 0.00 H new ATOM 0 HG13 VAL A 107 7.364 1.639 3.513 1.00 0.00 H new ATOM 0 HG21 VAL A 107 7.385 -1.428 3.242 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.243 -0.373 2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 107 7.265 -1.513 1.468 1.00 0.00 H new ATOM 1788 N SER A 108 10.400 1.619 0.439 1.00 0.00 N ATOM 1789 CA SER A 108 11.551 2.505 0.300 1.00 0.00 C ATOM 1790 C SER A 108 11.361 3.503 -0.840 1.00 0.00 C ATOM 1791 O SER A 108 11.799 4.650 -0.749 1.00 0.00 O ATOM 1792 CB SER A 108 12.821 1.685 0.063 1.00 0.00 C ATOM 1793 OG SER A 108 13.215 1.003 1.241 1.00 0.00 O ATOM 0 H SER A 108 10.595 0.639 0.233 1.00 0.00 H new ATOM 0 HA SER A 108 11.647 3.069 1.228 1.00 0.00 H new ATOM 0 HB2 SER A 108 12.649 0.965 -0.737 1.00 0.00 H new ATOM 0 HB3 SER A 108 13.626 2.342 -0.267 1.00 0.00 H new ATOM 0 HG SER A 108 12.874 0.085 1.217 1.00 0.00 H new ATOM 1799 N ARG A 109 10.715 3.064 -1.914 1.00 0.00 N ATOM 1800 CA ARG A 109 10.482 3.928 -3.066 1.00 0.00 C ATOM 1801 C ARG A 109 9.365 4.929 -2.792 1.00 0.00 C ATOM 1802 O ARG A 109 9.548 6.138 -2.948 1.00 0.00 O ATOM 1803 CB ARG A 109 10.140 3.093 -4.301 1.00 0.00 C ATOM 1804 CG ARG A 109 11.362 2.598 -5.057 1.00 0.00 C ATOM 1805 CD ARG A 109 12.014 3.715 -5.858 1.00 0.00 C ATOM 1806 NE ARG A 109 13.385 3.972 -5.421 1.00 0.00 N ATOM 1807 CZ ARG A 109 14.054 5.089 -5.698 1.00 0.00 C ATOM 1808 NH1 ARG A 109 13.483 6.053 -6.409 1.00 0.00 N ATOM 1809 NH2 ARG A 109 15.297 5.242 -5.262 1.00 0.00 N ATOM 0 H ARG A 109 10.344 2.119 -2.012 1.00 0.00 H new ATOM 0 HA ARG A 109 11.401 4.484 -3.253 1.00 0.00 H new ATOM 0 HB2 ARG A 109 9.540 2.236 -3.995 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.524 3.690 -4.974 1.00 0.00 H new ATOM 0 HG2 ARG A 109 12.084 2.185 -4.353 1.00 0.00 H new ATOM 0 HG3 ARG A 109 11.073 1.789 -5.728 1.00 0.00 H new ATOM 0 HD2 ARG A 109 12.014 3.451 -6.916 1.00 0.00 H new ATOM 0 HD3 ARG A 109 11.424 4.626 -5.757 1.00 0.00 H new ATOM 0 HE ARG A 109 13.857 3.253 -4.872 1.00 0.00 H new ATOM 0 HH11 ARG A 109 12.527 5.940 -6.746 1.00 0.00 H new ATOM 0 HH12 ARG A 109 14.000 6.907 -6.618 1.00 0.00 H new ATOM 0 HH21 ARG A 109 15.740 4.504 -4.715 1.00 0.00 H new ATOM 0 HH22 ARG A 109 15.810 6.098 -5.474 1.00 0.00 H new ATOM 1823 N LEU A 110 8.206 4.418 -2.389 1.00 0.00 N ATOM 1824 CA LEU A 110 7.057 5.268 -2.103 1.00 0.00 C ATOM 1825 C LEU A 110 7.380 6.278 -1.005 1.00 0.00 C ATOM 1826 O LEU A 110 6.947 7.430 -1.063 1.00 0.00 O ATOM 1827 CB LEU A 110 5.842 4.414 -1.713 1.00 0.00 C ATOM 1828 CG LEU A 110 5.771 3.994 -0.243 1.00 0.00 C ATOM 1829 CD1 LEU A 110 5.032 5.042 0.574 1.00 0.00 C ATOM 1830 CD2 LEU A 110 5.089 2.640 -0.103 1.00 0.00 C ATOM 0 H LEU A 110 8.038 3.421 -2.253 1.00 0.00 H new ATOM 0 HA LEU A 110 6.814 5.824 -3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.937 4.970 -1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.840 3.515 -2.329 1.00 0.00 H new ATOM 0 HG LEU A 110 6.789 3.909 0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.991 4.728 1.617 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.556 5.995 0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.019 5.156 0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.049 2.360 0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.076 2.700 -0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.653 1.890 -0.657 1.00 0.00 H new ATOM 1842 N VAL A 111 8.144 5.845 -0.007 1.00 0.00 N ATOM 1843 CA VAL A 111 8.520 6.721 1.096 1.00 0.00 C ATOM 1844 C VAL A 111 9.527 7.769 0.637 1.00 0.00 C ATOM 1845 O VAL A 111 9.424 8.943 0.992 1.00 0.00 O ATOM 1846 CB VAL A 111 9.109 5.924 2.279 1.00 0.00 C ATOM 1847 CG1 VAL A 111 10.486 5.374 1.936 1.00 0.00 C ATOM 1848 CG2 VAL A 111 9.169 6.790 3.528 1.00 0.00 C ATOM 0 H VAL A 111 8.513 4.897 0.060 1.00 0.00 H new ATOM 0 HA VAL A 111 7.611 7.219 1.433 1.00 0.00 H new ATOM 0 HB VAL A 111 8.452 5.078 2.479 1.00 0.00 H new ATOM 0 HG11 VAL A 111 10.878 4.817 2.787 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.409 4.712 1.073 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.159 6.199 1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.587 6.212 4.352 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.799 7.659 3.338 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.164 7.121 3.790 1.00 0.00 H new ATOM 1858 N LYS A 112 10.493 7.337 -0.166 1.00 0.00 N ATOM 1859 CA LYS A 112 11.514 8.239 -0.685 1.00 0.00 C ATOM 1860 C LYS A 112 10.871 9.362 -1.489 1.00 0.00 C ATOM 1861 O LYS A 112 11.387 10.479 -1.541 1.00 0.00 O ATOM 1862 CB LYS A 112 12.508 7.471 -1.557 1.00 0.00 C ATOM 1863 CG LYS A 112 13.682 6.897 -0.781 1.00 0.00 C ATOM 1864 CD LYS A 112 14.692 6.239 -1.706 1.00 0.00 C ATOM 1865 CE LYS A 112 16.099 6.307 -1.132 1.00 0.00 C ATOM 1866 NZ LYS A 112 16.881 7.434 -1.710 1.00 0.00 N ATOM 0 H LYS A 112 10.590 6.369 -0.471 1.00 0.00 H new ATOM 0 HA LYS A 112 12.050 8.675 0.158 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.984 6.659 -2.061 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.887 8.136 -2.333 1.00 0.00 H new ATOM 0 HG2 LYS A 112 14.169 7.691 -0.215 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.319 6.167 -0.058 1.00 0.00 H new ATOM 0 HD2 LYS A 112 14.414 5.198 -1.869 1.00 0.00 H new ATOM 0 HD3 LYS A 112 14.670 6.730 -2.679 1.00 0.00 H new ATOM 0 HE2 LYS A 112 16.044 6.421 -0.049 1.00 0.00 H new ATOM 0 HE3 LYS A 112 16.617 5.368 -1.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 17.834 7.445 -1.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 16.956 7.312 -2.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 16.401 8.333 -1.501 1.00 0.00 H new ATOM 1880 N LYS A 113 9.736 9.058 -2.110 1.00 0.00 N ATOM 1881 CA LYS A 113 9.014 10.043 -2.907 1.00 0.00 C ATOM 1882 C LYS A 113 8.367 11.096 -2.011 1.00 0.00 C ATOM 1883 O LYS A 113 8.113 12.221 -2.443 1.00 0.00 O ATOM 1884 CB LYS A 113 7.946 9.358 -3.762 1.00 0.00 C ATOM 1885 CG LYS A 113 8.508 8.343 -4.745 1.00 0.00 C ATOM 1886 CD LYS A 113 7.848 8.458 -6.109 1.00 0.00 C ATOM 1887 CE LYS A 113 8.200 9.769 -6.792 1.00 0.00 C ATOM 1888 NZ LYS A 113 8.511 9.578 -8.236 1.00 0.00 N ATOM 0 H LYS A 113 9.297 8.138 -2.077 1.00 0.00 H new ATOM 0 HA LYS A 113 9.730 10.538 -3.563 1.00 0.00 H new ATOM 0 HB2 LYS A 113 7.233 8.859 -3.106 1.00 0.00 H new ATOM 0 HB3 LYS A 113 7.393 10.118 -4.314 1.00 0.00 H new ATOM 0 HG2 LYS A 113 9.583 8.492 -4.847 1.00 0.00 H new ATOM 0 HG3 LYS A 113 8.361 7.337 -4.353 1.00 0.00 H new ATOM 0 HD2 LYS A 113 8.162 7.624 -6.737 1.00 0.00 H new ATOM 0 HD3 LYS A 113 6.766 8.384 -5.998 1.00 0.00 H new ATOM 0 HE2 LYS A 113 7.369 10.466 -6.689 1.00 0.00 H new ATOM 0 HE3 LYS A 113 9.058 10.219 -6.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 8.746 10.496 -8.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 9.321 8.933 -8.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 7.684 9.172 -8.718 1.00 0.00 H new ATOM 1902 N ILE A 114 8.104 10.724 -0.760 1.00 0.00 N ATOM 1903 CA ILE A 114 7.490 11.638 0.196 1.00 0.00 C ATOM 1904 C ILE A 114 8.381 12.858 0.435 1.00 0.00 C ATOM 1905 O ILE A 114 9.584 12.720 0.656 1.00 0.00 O ATOM 1906 CB ILE A 114 7.215 10.942 1.544 1.00 0.00 C ATOM 1907 CG1 ILE A 114 6.438 9.643 1.326 1.00 0.00 C ATOM 1908 CG2 ILE A 114 6.450 11.870 2.477 1.00 0.00 C ATOM 1909 CD1 ILE A 114 6.115 8.909 2.611 1.00 0.00 C ATOM 0 H ILE A 114 8.307 9.797 -0.387 1.00 0.00 H new ATOM 0 HA ILE A 114 6.542 11.960 -0.235 1.00 0.00 H new ATOM 0 HB ILE A 114 8.171 10.699 2.008 1.00 0.00 H new ATOM 0 HG12 ILE A 114 5.509 9.868 0.802 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.018 8.986 0.678 1.00 0.00 H new ATOM 0 HG21 ILE A 114 6.265 11.362 3.424 1.00 0.00 H new ATOM 0 HG22 ILE A 114 7.038 12.770 2.657 1.00 0.00 H new ATOM 0 HG23 ILE A 114 5.499 12.143 2.019 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.563 7.998 2.381 1.00 0.00 H new ATOM 0 HD12 ILE A 114 7.041 8.653 3.126 1.00 0.00 H new ATOM 0 HD13 ILE A 114 5.508 9.548 3.252 1.00 0.00 H new ATOM 1921 N PRO A 115 7.802 14.072 0.394 1.00 0.00 N ATOM 1922 CA PRO A 115 8.555 15.310 0.608 1.00 0.00 C ATOM 1923 C PRO A 115 8.868 15.551 2.081 1.00 0.00 C ATOM 1924 O PRO A 115 9.983 15.936 2.433 1.00 0.00 O ATOM 1925 CB PRO A 115 7.608 16.386 0.080 1.00 0.00 C ATOM 1926 CG PRO A 115 6.246 15.825 0.302 1.00 0.00 C ATOM 1927 CD PRO A 115 6.372 14.333 0.135 1.00 0.00 C ATOM 0 HA PRO A 115 9.526 15.292 0.112 1.00 0.00 H new ATOM 0 HB2 PRO A 115 7.741 17.328 0.612 1.00 0.00 H new ATOM 0 HB3 PRO A 115 7.787 16.589 -0.976 1.00 0.00 H new ATOM 0 HG2 PRO A 115 5.880 16.075 1.298 1.00 0.00 H new ATOM 0 HG3 PRO A 115 5.534 16.238 -0.413 1.00 0.00 H new ATOM 0 HD2 PRO A 115 5.733 13.796 0.836 1.00 0.00 H new ATOM 0 HD3 PRO A 115 6.082 14.016 -0.867 1.00 0.00 H new