USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 805 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 93 ASN : amide:sc= -1.87! C(o=-2.6!,f=-4.4!) USER MOD Set 1.2: A 100 ASN :FLIP amide:sc= -0.778 F(o=-3.2,f=-2.6) USER MOD Set 2.1: A 39 TYR OH : rot 13:sc= 1.26 USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 67 LYS NZ :NH3+ 165:sc= 1.05 (180deg=0) USER MOD Set 3.2: A 69 TYR OH : rot 180:sc= 0.907 USER MOD Set 4.1: A 29 THR OG1 : rot 171:sc= 0.306 USER MOD Set 4.2: A 43 THR OG1 : rot -73:sc= 0.523 USER MOD Set 5.1: A 31 TYR OH : rot -151:sc= 1.79 USER MOD Set 5.2: A 79 TYR OH : rot 111:sc= 0.682 USER MOD Set 5.3: A 103 LYS NZ :NH3+ -174:sc= 0.205 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.00588) USER MOD Single : A 11 GLN : amide:sc= -0.0402 X(o=-0.04,f=-0.35) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.432 X(o=-0.43,f=-0.42) USER MOD Single : A 30 CYS SG : rot 180:sc= -0.425 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -59:sc= 0.362 USER MOD Single : A 60 SER OG : rot 180:sc= -0.123 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0236) USER MOD Single : A 74 HIS : no HD1:sc= -0.494 K(o=-0.49,f=-1.8) USER MOD Single : A 75 CYS SG : rot 21:sc= -0.692 USER MOD Single : A 78 GLN :FLIP amide:sc= -0.124 F(o=-0.69,f=-0.12) USER MOD Single : A 80 HIS : no HD1:sc= -0.0112 X(o=-0.011,f=-0.27) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= -0.0386 (180deg=-0.0386) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.65 USER MOD Single : A 86 SER OG : rot -17:sc= 1.18 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl -112:sc=-0.00685 (180deg=-0.129) USER MOD Single : A 90 LYS NZ :NH3+ -106:sc= 0.891 (180deg=-0.746!) USER MOD Single : A 95 SER OG : rot 174:sc= 1.68 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -118:sc= 0 (180deg=-1.01) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= -0.257 X(o=-0.26,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 59 N LYS A 6 18.051 -2.101 1.177 1.00 14.42 N ATOM 60 CA LYS A 6 17.647 -1.232 0.085 1.00 62.34 C ATOM 61 C LYS A 6 16.242 -1.591 -0.349 1.00 20.25 C ATOM 62 O LYS A 6 15.939 -2.759 -0.602 1.00 41.20 O ATOM 63 CB LYS A 6 18.610 -1.381 -1.096 1.00 72.40 C ATOM 64 CG LYS A 6 20.038 -0.971 -0.727 1.00 13.31 C ATOM 65 CD LYS A 6 20.998 -1.075 -1.914 1.00 64.44 C ATOM 66 CE LYS A 6 20.845 0.124 -2.849 1.00 40.34 C ATOM 67 NZ LYS A 6 21.577 1.285 -2.316 1.00 33.25 N ATOM 0 HA LYS A 6 17.671 -0.197 0.425 1.00 62.34 H new ATOM 0 HB2 LYS A 6 18.607 -2.416 -1.438 1.00 72.40 H new ATOM 0 HB3 LYS A 6 18.261 -0.769 -1.928 1.00 72.40 H new ATOM 0 HG2 LYS A 6 20.035 0.053 -0.354 1.00 13.31 H new ATOM 0 HG3 LYS A 6 20.397 -1.604 0.084 1.00 13.31 H new ATOM 0 HD2 LYS A 6 22.025 -1.130 -1.552 1.00 64.44 H new ATOM 0 HD3 LYS A 6 20.804 -1.996 -2.463 1.00 64.44 H new ATOM 0 HE2 LYS A 6 21.222 -0.129 -3.840 1.00 40.34 H new ATOM 0 HE3 LYS A 6 19.790 0.372 -2.963 1.00 40.34 H new ATOM 0 HZ1 LYS A 6 21.112 2.161 -2.627 1.00 33.25 H new ATOM 0 HZ2 LYS A 6 21.582 1.245 -1.277 1.00 33.25 H new ATOM 0 HZ3 LYS A 6 22.556 1.269 -2.667 1.00 33.25 H new ATOM 81 N VAL A 7 15.393 -0.580 -0.411 1.00 11.04 N ATOM 82 CA VAL A 7 14.069 -0.599 -0.991 1.00 34.21 C ATOM 83 C VAL A 7 14.177 -0.919 -2.496 1.00 41.01 C ATOM 84 O VAL A 7 15.261 -0.828 -3.085 1.00 40.31 O ATOM 85 CB VAL A 7 13.429 0.752 -0.611 1.00 60.12 C ATOM 86 CG1 VAL A 7 13.941 1.940 -1.432 1.00 1.01 C ATOM 87 CG2 VAL A 7 11.910 0.681 -0.613 1.00 42.11 C ATOM 0 H VAL A 7 15.630 0.336 -0.031 1.00 11.04 H new ATOM 0 HA VAL A 7 13.412 -1.383 -0.614 1.00 34.21 H new ATOM 0 HB VAL A 7 13.755 0.944 0.411 1.00 60.12 H new ATOM 0 HG11 VAL A 7 13.442 2.852 -1.103 1.00 1.01 H new ATOM 0 HG12 VAL A 7 15.017 2.044 -1.290 1.00 1.01 H new ATOM 0 HG13 VAL A 7 13.729 1.771 -2.488 1.00 1.01 H new ATOM 0 HG21 VAL A 7 11.500 1.653 -0.340 1.00 42.11 H new ATOM 0 HG22 VAL A 7 11.560 0.406 -1.608 1.00 42.11 H new ATOM 0 HG23 VAL A 7 11.580 -0.067 0.108 1.00 42.11 H new ATOM 97 N GLU A 8 13.076 -1.293 -3.154 1.00 15.32 N ATOM 98 CA GLU A 8 13.077 -1.649 -4.573 1.00 43.03 C ATOM 99 C GLU A 8 12.107 -0.743 -5.325 1.00 20.14 C ATOM 100 O GLU A 8 10.890 -0.920 -5.254 1.00 53.23 O ATOM 101 CB GLU A 8 12.753 -3.131 -4.794 1.00 62.40 C ATOM 102 CG GLU A 8 13.575 -4.120 -3.962 1.00 52.20 C ATOM 103 CD GLU A 8 14.018 -5.314 -4.805 1.00 33.44 C ATOM 104 OE1 GLU A 8 15.046 -5.167 -5.503 1.00 44.55 O ATOM 105 OE2 GLU A 8 13.353 -6.369 -4.746 1.00 1.30 O ATOM 0 H GLU A 8 12.157 -1.357 -2.715 1.00 15.32 H new ATOM 0 HA GLU A 8 14.082 -1.496 -4.967 1.00 43.03 H new ATOM 0 HB2 GLU A 8 11.697 -3.290 -4.575 1.00 62.40 H new ATOM 0 HB3 GLU A 8 12.899 -3.363 -5.849 1.00 62.40 H new ATOM 0 HG2 GLU A 8 14.450 -3.616 -3.552 1.00 52.20 H new ATOM 0 HG3 GLU A 8 12.983 -4.468 -3.116 1.00 52.20 H new ATOM 112 N ILE A 9 12.645 0.265 -6.011 1.00 75.34 N ATOM 113 CA ILE A 9 11.868 1.255 -6.748 1.00 3.13 C ATOM 114 C ILE A 9 10.982 0.592 -7.820 1.00 0.33 C ATOM 115 O ILE A 9 9.760 0.718 -7.698 1.00 63.03 O ATOM 116 CB ILE A 9 12.800 2.377 -7.268 1.00 23.11 C ATOM 117 CG1 ILE A 9 13.458 3.166 -6.111 1.00 54.13 C ATOM 118 CG2 ILE A 9 12.090 3.338 -8.235 1.00 31.42 C ATOM 119 CD1 ILE A 9 12.512 4.021 -5.262 1.00 54.22 C ATOM 0 H ILE A 9 13.652 0.417 -6.070 1.00 75.34 H new ATOM 0 HA ILE A 9 11.158 1.743 -6.080 1.00 3.13 H new ATOM 0 HB ILE A 9 13.587 1.871 -7.828 1.00 23.11 H new ATOM 0 HG12 ILE A 9 13.964 2.457 -5.455 1.00 54.13 H new ATOM 0 HG13 ILE A 9 14.226 3.816 -6.531 1.00 54.13 H new ATOM 0 HG21 ILE A 9 12.791 4.104 -8.567 1.00 31.42 H new ATOM 0 HG22 ILE A 9 11.725 2.782 -9.098 1.00 31.42 H new ATOM 0 HG23 ILE A 9 11.250 3.811 -7.726 1.00 31.42 H new ATOM 0 HD11 ILE A 9 13.081 4.528 -4.483 1.00 54.22 H new ATOM 0 HD12 ILE A 9 12.024 4.762 -5.895 1.00 54.22 H new ATOM 0 HD13 ILE A 9 11.757 3.382 -4.803 1.00 54.22 H new ATOM 131 N PRO A 10 11.516 -0.122 -8.836 1.00 53.30 N ATOM 132 CA PRO A 10 10.709 -0.641 -9.943 1.00 15.51 C ATOM 133 C PRO A 10 9.835 -1.844 -9.554 1.00 61.34 C ATOM 134 O PRO A 10 9.178 -2.421 -10.421 1.00 61.21 O ATOM 135 CB PRO A 10 11.722 -1.015 -11.033 1.00 64.13 C ATOM 136 CG PRO A 10 12.950 -1.428 -10.229 1.00 24.11 C ATOM 137 CD PRO A 10 12.924 -0.424 -9.080 1.00 2.31 C ATOM 0 HA PRO A 10 9.992 0.109 -10.276 1.00 15.51 H new ATOM 0 HB2 PRO A 10 11.358 -1.828 -11.661 1.00 64.13 H new ATOM 0 HB3 PRO A 10 11.935 -0.174 -11.692 1.00 64.13 H new ATOM 0 HG2 PRO A 10 12.880 -2.456 -9.875 1.00 24.11 H new ATOM 0 HG3 PRO A 10 13.866 -1.355 -10.815 1.00 24.11 H new ATOM 0 HD2 PRO A 10 13.393 -0.840 -8.189 1.00 2.31 H new ATOM 0 HD3 PRO A 10 13.477 0.479 -9.339 1.00 2.31 H new ATOM 145 N GLN A 11 9.848 -2.271 -8.290 1.00 62.44 N ATOM 146 CA GLN A 11 9.161 -3.464 -7.798 1.00 22.14 C ATOM 147 C GLN A 11 7.779 -3.133 -7.241 1.00 72.11 C ATOM 148 O GLN A 11 6.925 -4.016 -7.129 1.00 52.22 O ATOM 149 CB GLN A 11 10.053 -4.060 -6.700 1.00 1.23 C ATOM 150 CG GLN A 11 10.031 -5.577 -6.558 1.00 20.13 C ATOM 151 CD GLN A 11 10.916 -6.190 -7.631 1.00 0.11 C ATOM 152 OE1 GLN A 11 12.055 -5.793 -7.860 1.00 1.41 O ATOM 153 NE2 GLN A 11 10.402 -7.114 -8.397 1.00 63.04 N ATOM 0 H GLN A 11 10.355 -1.777 -7.556 1.00 62.44 H new ATOM 0 HA GLN A 11 9.002 -4.170 -8.613 1.00 22.14 H new ATOM 0 HB2 GLN A 11 11.081 -3.749 -6.889 1.00 1.23 H new ATOM 0 HB3 GLN A 11 9.758 -3.623 -5.746 1.00 1.23 H new ATOM 0 HG2 GLN A 11 10.384 -5.867 -5.568 1.00 20.13 H new ATOM 0 HG3 GLN A 11 9.011 -5.949 -6.654 1.00 20.13 H new ATOM 0 HE21 GLN A 11 9.457 -7.455 -8.221 1.00 63.04 H new ATOM 0 HE22 GLN A 11 10.945 -7.495 -9.172 1.00 63.04 H new ATOM 162 N LEU A 12 7.563 -1.867 -6.872 1.00 15.54 N ATOM 163 CA LEU A 12 6.377 -1.446 -6.146 1.00 72.30 C ATOM 164 C LEU A 12 5.115 -1.722 -6.958 1.00 54.23 C ATOM 165 O LEU A 12 4.177 -2.287 -6.403 1.00 4.41 O ATOM 166 CB LEU A 12 6.537 0.020 -5.714 1.00 43.52 C ATOM 167 CG LEU A 12 5.273 0.739 -5.198 1.00 62.33 C ATOM 168 CD1 LEU A 12 4.604 1.552 -6.300 1.00 64.13 C ATOM 169 CD2 LEU A 12 4.390 -0.035 -4.214 1.00 14.35 C ATOM 0 H LEU A 12 8.213 -1.107 -7.073 1.00 15.54 H new ATOM 0 HA LEU A 12 6.264 -2.033 -5.234 1.00 72.30 H new ATOM 0 HB2 LEU A 12 7.294 0.062 -4.931 1.00 43.52 H new ATOM 0 HB3 LEU A 12 6.925 0.583 -6.563 1.00 43.52 H new ATOM 0 HG LEU A 12 5.610 1.491 -4.485 1.00 62.33 H new ATOM 0 HD11 LEU A 12 3.717 2.045 -5.901 1.00 64.13 H new ATOM 0 HD12 LEU A 12 5.301 2.303 -6.672 1.00 64.13 H new ATOM 0 HD13 LEU A 12 4.315 0.890 -7.116 1.00 64.13 H new ATOM 0 HD21 LEU A 12 3.537 0.580 -3.929 1.00 14.35 H new ATOM 0 HD22 LEU A 12 4.035 -0.951 -4.686 1.00 14.35 H new ATOM 0 HD23 LEU A 12 4.969 -0.286 -3.325 1.00 14.35 H new ATOM 181 N VAL A 13 5.140 -1.431 -8.260 1.00 21.35 N ATOM 182 CA VAL A 13 4.118 -1.699 -9.278 1.00 34.01 C ATOM 183 C VAL A 13 3.540 -3.133 -9.261 1.00 1.34 C ATOM 184 O VAL A 13 2.523 -3.405 -9.900 1.00 1.14 O ATOM 185 CB VAL A 13 4.698 -1.296 -10.653 1.00 71.41 C ATOM 186 CG1 VAL A 13 6.079 -1.905 -10.879 1.00 4.53 C ATOM 187 CG2 VAL A 13 3.818 -1.619 -11.864 1.00 42.12 C ATOM 0 H VAL A 13 5.948 -0.959 -8.667 1.00 21.35 H new ATOM 0 HA VAL A 13 3.243 -1.092 -9.046 1.00 34.01 H new ATOM 0 HB VAL A 13 4.754 -0.209 -10.591 1.00 71.41 H new ATOM 0 HG11 VAL A 13 6.456 -1.600 -11.855 1.00 4.53 H new ATOM 0 HG12 VAL A 13 6.761 -1.558 -10.103 1.00 4.53 H new ATOM 0 HG13 VAL A 13 6.008 -2.992 -10.841 1.00 4.53 H new ATOM 0 HG21 VAL A 13 4.320 -1.295 -12.775 1.00 42.12 H new ATOM 0 HG22 VAL A 13 3.642 -2.694 -11.910 1.00 42.12 H new ATOM 0 HG23 VAL A 13 2.865 -1.099 -11.770 1.00 42.12 H new ATOM 197 N GLY A 14 4.154 -4.077 -8.547 1.00 21.01 N ATOM 198 CA GLY A 14 3.506 -5.330 -8.210 1.00 22.01 C ATOM 199 C GLY A 14 2.175 -5.129 -7.481 1.00 43.33 C ATOM 200 O GLY A 14 1.819 -4.068 -6.958 1.00 21.25 O ATOM 0 H GLY A 14 5.106 -3.989 -8.192 1.00 21.01 H new ATOM 0 HA2 GLY A 14 3.334 -5.902 -9.122 1.00 22.01 H new ATOM 0 HA3 GLY A 14 4.173 -5.922 -7.584 1.00 22.01 H new ATOM 204 N LYS A 15 1.430 -6.222 -7.422 1.00 64.13 N ATOM 205 CA LYS A 15 0.245 -6.360 -6.595 1.00 34.32 C ATOM 206 C LYS A 15 0.697 -6.759 -5.194 1.00 31.03 C ATOM 207 O LYS A 15 1.699 -7.478 -5.059 1.00 51.32 O ATOM 208 CB LYS A 15 -0.630 -7.446 -7.223 1.00 1.14 C ATOM 209 CG LYS A 15 -1.253 -6.998 -8.553 1.00 21.23 C ATOM 210 CD LYS A 15 -1.664 -8.163 -9.452 1.00 14.44 C ATOM 211 CE LYS A 15 -0.467 -8.784 -10.177 1.00 33.02 C ATOM 212 NZ LYS A 15 -0.917 -9.845 -11.100 1.00 31.45 N ATOM 0 H LYS A 15 1.640 -7.060 -7.964 1.00 64.13 H new ATOM 0 HA LYS A 15 -0.326 -5.434 -6.530 1.00 34.32 H new ATOM 0 HB2 LYS A 15 -0.031 -8.341 -7.389 1.00 1.14 H new ATOM 0 HB3 LYS A 15 -1.423 -7.718 -6.527 1.00 1.14 H new ATOM 0 HG2 LYS A 15 -2.128 -6.381 -8.347 1.00 21.23 H new ATOM 0 HG3 LYS A 15 -0.540 -6.370 -9.087 1.00 21.23 H new ATOM 0 HD2 LYS A 15 -2.159 -8.926 -8.851 1.00 14.44 H new ATOM 0 HD3 LYS A 15 -2.390 -7.815 -10.186 1.00 14.44 H new ATOM 0 HE2 LYS A 15 0.069 -8.014 -10.732 1.00 33.02 H new ATOM 0 HE3 LYS A 15 0.232 -9.198 -9.450 1.00 33.02 H new ATOM 0 HZ1 LYS A 15 -0.094 -10.256 -11.584 1.00 31.45 H new ATOM 0 HZ2 LYS A 15 -1.409 -10.587 -10.562 1.00 31.45 H new ATOM 0 HZ3 LYS A 15 -1.566 -9.440 -11.805 1.00 31.45 H new ATOM 226 N TRP A 16 -0.062 -6.373 -4.165 1.00 52.11 N ATOM 227 CA TRP A 16 0.291 -6.644 -2.778 1.00 60.41 C ATOM 228 C TRP A 16 -0.951 -6.981 -1.943 1.00 72.34 C ATOM 229 O TRP A 16 -1.899 -6.190 -1.907 1.00 42.22 O ATOM 230 CB TRP A 16 0.980 -5.407 -2.213 1.00 1.42 C ATOM 231 CG TRP A 16 2.291 -5.022 -2.799 1.00 54.21 C ATOM 232 CD1 TRP A 16 2.506 -4.229 -3.872 1.00 3.24 C ATOM 233 CD2 TRP A 16 3.596 -5.429 -2.321 1.00 34.43 C ATOM 234 NE1 TRP A 16 3.865 -4.079 -4.069 1.00 62.44 N ATOM 235 CE2 TRP A 16 4.584 -4.844 -3.165 1.00 31.34 C ATOM 236 CE3 TRP A 16 4.024 -6.258 -1.261 1.00 11.45 C ATOM 237 CZ2 TRP A 16 5.947 -5.104 -2.972 1.00 14.23 C ATOM 238 CZ3 TRP A 16 5.390 -6.503 -1.055 1.00 2.35 C ATOM 239 CH2 TRP A 16 6.350 -5.932 -1.907 1.00 55.02 C ATOM 0 H TRP A 16 -0.939 -5.863 -4.275 1.00 52.11 H new ATOM 0 HA TRP A 16 0.956 -7.506 -2.737 1.00 60.41 H new ATOM 0 HB2 TRP A 16 0.300 -4.562 -2.326 1.00 1.42 H new ATOM 0 HB3 TRP A 16 1.122 -5.561 -1.143 1.00 1.42 H new ATOM 0 HD1 TRP A 16 1.735 -3.782 -4.481 1.00 3.24 H new ATOM 0 HE1 TRP A 16 4.283 -3.484 -4.784 1.00 62.44 H new ATOM 0 HE3 TRP A 16 3.294 -6.707 -0.604 1.00 11.45 H new ATOM 0 HZ2 TRP A 16 6.683 -4.673 -3.635 1.00 14.23 H new ATOM 0 HZ3 TRP A 16 5.705 -7.134 -0.237 1.00 2.35 H new ATOM 0 HH2 TRP A 16 7.399 -6.129 -1.745 1.00 55.02 H new ATOM 250 N ILE A 17 -0.948 -8.127 -1.254 1.00 53.02 N ATOM 251 CA ILE A 17 -2.024 -8.582 -0.382 1.00 3.21 C ATOM 252 C ILE A 17 -1.800 -7.991 1.008 1.00 72.43 C ATOM 253 O ILE A 17 -0.668 -7.938 1.483 1.00 53.10 O ATOM 254 CB ILE A 17 -2.048 -10.132 -0.340 1.00 73.50 C ATOM 255 CG1 ILE A 17 -3.418 -10.672 0.112 1.00 62.10 C ATOM 256 CG2 ILE A 17 -0.977 -10.793 0.525 1.00 63.34 C ATOM 257 CD1 ILE A 17 -4.347 -10.883 -1.070 1.00 21.12 C ATOM 0 H ILE A 17 -0.167 -8.782 -1.293 1.00 53.02 H new ATOM 0 HA ILE A 17 -2.991 -8.248 -0.759 1.00 3.21 H new ATOM 0 HB ILE A 17 -1.834 -10.400 -1.374 1.00 73.50 H new ATOM 0 HG12 ILE A 17 -3.282 -11.614 0.643 1.00 62.10 H new ATOM 0 HG13 ILE A 17 -3.873 -9.973 0.814 1.00 62.10 H new ATOM 0 HG21 ILE A 17 -1.090 -11.876 0.479 1.00 63.34 H new ATOM 0 HG22 ILE A 17 0.011 -10.515 0.157 1.00 63.34 H new ATOM 0 HG23 ILE A 17 -1.086 -10.460 1.557 1.00 63.34 H new ATOM 0 HD11 ILE A 17 -5.305 -11.265 -0.716 1.00 21.12 H new ATOM 0 HD12 ILE A 17 -4.502 -9.935 -1.585 1.00 21.12 H new ATOM 0 HD13 ILE A 17 -3.902 -11.601 -1.759 1.00 21.12 H new ATOM 269 N VAL A 18 -2.873 -7.622 1.699 1.00 13.33 N ATOM 270 CA VAL A 18 -2.876 -7.158 3.090 1.00 2.04 C ATOM 271 C VAL A 18 -3.451 -8.248 4.003 1.00 13.45 C ATOM 272 O VAL A 18 -3.824 -8.005 5.146 1.00 43.33 O ATOM 273 CB VAL A 18 -3.690 -5.847 3.169 1.00 60.30 C ATOM 274 CG1 VAL A 18 -3.671 -5.163 4.545 1.00 73.30 C ATOM 275 CG2 VAL A 18 -3.234 -4.809 2.140 1.00 63.52 C ATOM 0 H VAL A 18 -3.808 -7.637 1.291 1.00 13.33 H new ATOM 0 HA VAL A 18 -1.861 -6.956 3.431 1.00 2.04 H new ATOM 0 HB VAL A 18 -4.706 -6.180 2.960 1.00 60.30 H new ATOM 0 HG11 VAL A 18 -4.268 -4.252 4.507 1.00 73.30 H new ATOM 0 HG12 VAL A 18 -4.087 -5.838 5.293 1.00 73.30 H new ATOM 0 HG13 VAL A 18 -2.644 -4.913 4.813 1.00 73.30 H new ATOM 0 HG21 VAL A 18 -3.839 -3.908 2.239 1.00 63.52 H new ATOM 0 HG22 VAL A 18 -2.186 -4.563 2.311 1.00 63.52 H new ATOM 0 HG23 VAL A 18 -3.352 -5.216 1.136 1.00 63.52 H new ATOM 285 N LYS A 19 -3.500 -9.482 3.509 1.00 2.12 N ATOM 286 CA LYS A 19 -4.019 -10.644 4.229 1.00 64.23 C ATOM 287 C LYS A 19 -3.002 -11.148 5.269 1.00 62.14 C ATOM 288 O LYS A 19 -3.079 -12.269 5.761 1.00 55.02 O ATOM 289 CB LYS A 19 -4.407 -11.730 3.212 1.00 74.41 C ATOM 290 CG LYS A 19 -5.380 -12.778 3.764 1.00 40.01 C ATOM 291 CD LYS A 19 -5.474 -14.040 2.903 1.00 24.10 C ATOM 292 CE LYS A 19 -5.861 -13.805 1.431 1.00 14.31 C ATOM 293 NZ LYS A 19 -4.852 -14.356 0.499 1.00 4.24 N ATOM 0 H LYS A 19 -3.171 -9.709 2.571 1.00 2.12 H new ATOM 0 HA LYS A 19 -4.912 -10.364 4.788 1.00 64.23 H new ATOM 0 HB2 LYS A 19 -4.857 -11.254 2.341 1.00 74.41 H new ATOM 0 HB3 LYS A 19 -3.503 -12.233 2.869 1.00 74.41 H new ATOM 0 HG2 LYS A 19 -5.068 -13.057 4.770 1.00 40.01 H new ATOM 0 HG3 LYS A 19 -6.371 -12.332 3.850 1.00 40.01 H new ATOM 0 HD2 LYS A 19 -4.512 -14.552 2.931 1.00 24.10 H new ATOM 0 HD3 LYS A 19 -6.206 -14.712 3.351 1.00 24.10 H new ATOM 0 HE2 LYS A 19 -6.828 -14.266 1.232 1.00 14.31 H new ATOM 0 HE3 LYS A 19 -5.975 -12.736 1.252 1.00 14.31 H new ATOM 0 HZ1 LYS A 19 -5.150 -14.177 -0.481 1.00 4.24 H new ATOM 0 HZ2 LYS A 19 -3.934 -13.898 0.671 1.00 4.24 H new ATOM 0 HZ3 LYS A 19 -4.762 -15.381 0.651 1.00 4.24 H new ATOM 307 N GLU A 20 -2.006 -10.342 5.597 1.00 54.02 N ATOM 308 CA GLU A 20 -0.881 -10.731 6.404 1.00 22.21 C ATOM 309 C GLU A 20 -0.390 -9.426 7.056 1.00 31.35 C ATOM 310 O GLU A 20 0.167 -8.562 6.373 1.00 3.25 O ATOM 311 CB GLU A 20 0.119 -11.476 5.494 1.00 0.04 C ATOM 312 CG GLU A 20 0.136 -12.993 5.775 1.00 13.31 C ATOM 313 CD GLU A 20 0.522 -13.832 4.553 1.00 41.15 C ATOM 314 OE1 GLU A 20 1.736 -14.012 4.300 1.00 71.34 O ATOM 315 OE2 GLU A 20 -0.373 -14.387 3.870 1.00 24.53 O ATOM 0 H GLU A 20 -1.965 -9.369 5.295 1.00 54.02 H new ATOM 0 HA GLU A 20 -1.086 -11.436 7.210 1.00 22.21 H new ATOM 0 HB2 GLU A 20 -0.143 -11.303 4.450 1.00 0.04 H new ATOM 0 HB3 GLU A 20 1.119 -11.068 5.644 1.00 0.04 H new ATOM 0 HG2 GLU A 20 0.838 -13.198 6.584 1.00 13.31 H new ATOM 0 HG3 GLU A 20 -0.850 -13.302 6.122 1.00 13.31 H new ATOM 322 N PRO A 21 -0.698 -9.187 8.343 1.00 22.44 N ATOM 323 CA PRO A 21 -1.730 -9.876 9.110 1.00 75.31 C ATOM 324 C PRO A 21 -3.128 -9.529 8.596 1.00 61.14 C ATOM 325 O PRO A 21 -3.333 -8.462 8.019 1.00 0.23 O ATOM 326 CB PRO A 21 -1.560 -9.393 10.543 1.00 32.52 C ATOM 327 CG PRO A 21 -0.931 -8.010 10.399 1.00 4.21 C ATOM 328 CD PRO A 21 -0.108 -8.111 9.120 1.00 60.32 C ATOM 0 HA PRO A 21 -1.629 -10.958 9.025 1.00 75.31 H new ATOM 0 HB2 PRO A 21 -2.517 -9.343 11.063 1.00 32.52 H new ATOM 0 HB3 PRO A 21 -0.920 -10.064 11.116 1.00 32.52 H new ATOM 0 HG2 PRO A 21 -1.691 -7.232 10.325 1.00 4.21 H new ATOM 0 HG3 PRO A 21 -0.306 -7.764 11.258 1.00 4.21 H new ATOM 0 HD2 PRO A 21 -0.132 -7.172 8.566 1.00 60.32 H new ATOM 0 HD3 PRO A 21 0.937 -8.321 9.345 1.00 60.32 H new ATOM 336 N VAL A 22 -4.108 -10.385 8.861 1.00 22.45 N ATOM 337 CA VAL A 22 -5.489 -10.242 8.414 1.00 73.43 C ATOM 338 C VAL A 22 -6.434 -10.094 9.585 1.00 31.33 C ATOM 339 O VAL A 22 -6.100 -10.286 10.755 1.00 33.53 O ATOM 340 CB VAL A 22 -5.873 -11.400 7.460 1.00 63.33 C ATOM 341 CG1 VAL A 22 -5.817 -12.790 8.101 1.00 55.42 C ATOM 342 CG2 VAL A 22 -7.211 -11.246 6.718 1.00 53.11 C ATOM 0 H VAL A 22 -3.957 -11.229 9.414 1.00 22.45 H new ATOM 0 HA VAL A 22 -5.580 -9.320 7.841 1.00 73.43 H new ATOM 0 HB VAL A 22 -5.082 -11.319 6.714 1.00 63.33 H new ATOM 0 HG11 VAL A 22 -6.100 -13.542 7.365 1.00 55.42 H new ATOM 0 HG12 VAL A 22 -4.804 -12.989 8.451 1.00 55.42 H new ATOM 0 HG13 VAL A 22 -6.507 -12.830 8.944 1.00 55.42 H new ATOM 0 HG21 VAL A 22 -7.375 -12.114 6.080 1.00 53.11 H new ATOM 0 HG22 VAL A 22 -8.022 -11.169 7.442 1.00 53.11 H new ATOM 0 HG23 VAL A 22 -7.186 -10.345 6.105 1.00 53.11 H new ATOM 352 N LEU A 23 -7.622 -9.652 9.195 1.00 20.33 N ATOM 353 CA LEU A 23 -8.739 -9.334 10.026 1.00 40.43 C ATOM 354 C LEU A 23 -9.487 -10.652 10.221 1.00 42.13 C ATOM 355 O LEU A 23 -8.961 -11.750 10.042 1.00 1.01 O ATOM 356 CB LEU A 23 -9.625 -8.221 9.412 1.00 3.25 C ATOM 357 CG LEU A 23 -8.866 -6.891 9.314 1.00 60.50 C ATOM 358 CD1 LEU A 23 -7.918 -6.954 8.142 1.00 14.34 C ATOM 359 CD2 LEU A 23 -9.808 -5.686 9.198 1.00 23.55 C ATOM 0 H LEU A 23 -7.829 -9.500 8.208 1.00 20.33 H new ATOM 0 HA LEU A 23 -8.424 -8.921 10.984 1.00 40.43 H new ATOM 0 HB2 LEU A 23 -9.958 -8.525 8.420 1.00 3.25 H new ATOM 0 HB3 LEU A 23 -10.519 -8.088 10.022 1.00 3.25 H new ATOM 0 HG LEU A 23 -8.304 -6.747 10.237 1.00 60.50 H new ATOM 0 HD11 LEU A 23 -7.373 -6.013 8.064 1.00 14.34 H new ATOM 0 HD12 LEU A 23 -7.212 -7.771 8.289 1.00 14.34 H new ATOM 0 HD13 LEU A 23 -8.483 -7.124 7.226 1.00 14.34 H new ATOM 0 HD21 LEU A 23 -9.221 -4.770 9.132 1.00 23.55 H new ATOM 0 HD22 LEU A 23 -10.422 -5.789 8.303 1.00 23.55 H new ATOM 0 HD23 LEU A 23 -10.452 -5.641 10.077 1.00 23.55 H new ATOM 371 N GLN A 24 -10.767 -10.513 10.492 1.00 35.33 N ATOM 372 CA GLN A 24 -11.747 -11.575 10.524 1.00 35.33 C ATOM 373 C GLN A 24 -12.903 -11.265 9.575 1.00 74.11 C ATOM 374 O GLN A 24 -12.817 -10.360 8.732 1.00 64.22 O ATOM 375 CB GLN A 24 -12.134 -11.830 11.996 1.00 60.50 C ATOM 376 CG GLN A 24 -11.119 -12.772 12.654 1.00 21.22 C ATOM 377 CD GLN A 24 -11.046 -14.138 11.961 1.00 24.43 C ATOM 378 OE1 GLN A 24 -9.970 -14.628 11.631 1.00 31.20 O ATOM 379 NE2 GLN A 24 -12.164 -14.794 11.690 1.00 42.24 N ATOM 0 H GLN A 24 -11.174 -9.603 10.708 1.00 35.33 H new ATOM 0 HA GLN A 24 -11.346 -12.515 10.146 1.00 35.33 H new ATOM 0 HB2 GLN A 24 -12.170 -10.886 12.539 1.00 60.50 H new ATOM 0 HB3 GLN A 24 -13.132 -12.266 12.047 1.00 60.50 H new ATOM 0 HG2 GLN A 24 -10.133 -12.307 12.637 1.00 21.22 H new ATOM 0 HG3 GLN A 24 -11.386 -12.914 13.701 1.00 21.22 H new ATOM 0 HE21 GLN A 24 -13.065 -14.399 11.958 1.00 42.24 H new ATOM 0 HE22 GLN A 24 -12.124 -15.695 11.213 1.00 42.24 H new ATOM 388 N ASP A 25 -13.939 -12.096 9.677 1.00 2.15 N ATOM 389 CA ASP A 25 -15.151 -12.187 8.891 1.00 32.15 C ATOM 390 C ASP A 25 -14.785 -12.493 7.451 1.00 63.31 C ATOM 391 O ASP A 25 -14.743 -13.657 7.060 1.00 33.52 O ATOM 392 CB ASP A 25 -16.043 -10.949 9.056 1.00 74.33 C ATOM 393 CG ASP A 25 -16.416 -10.661 10.505 1.00 21.12 C ATOM 394 OD1 ASP A 25 -17.138 -11.468 11.128 1.00 14.21 O ATOM 395 OD2 ASP A 25 -16.046 -9.578 11.009 1.00 64.10 O ATOM 0 H ASP A 25 -13.939 -12.808 10.408 1.00 2.15 H new ATOM 0 HA ASP A 25 -15.764 -13.010 9.259 1.00 32.15 H new ATOM 0 HB2 ASP A 25 -15.529 -10.082 8.642 1.00 74.33 H new ATOM 0 HB3 ASP A 25 -16.955 -11.087 8.474 1.00 74.33 H new ATOM 400 N ASP A 26 -14.452 -11.465 6.685 1.00 13.15 N ATOM 401 CA ASP A 26 -14.066 -11.529 5.287 1.00 12.02 C ATOM 402 C ASP A 26 -13.303 -10.276 4.835 1.00 61.14 C ATOM 403 O ASP A 26 -13.024 -10.133 3.643 1.00 20.42 O ATOM 404 CB ASP A 26 -15.308 -11.787 4.404 1.00 61.14 C ATOM 405 CG ASP A 26 -15.469 -13.257 4.018 1.00 73.52 C ATOM 406 OD1 ASP A 26 -14.521 -13.877 3.478 1.00 52.40 O ATOM 407 OD2 ASP A 26 -16.599 -13.788 4.136 1.00 51.31 O ATOM 0 H ASP A 26 -14.444 -10.511 7.045 1.00 13.15 H new ATOM 0 HA ASP A 26 -13.376 -12.365 5.170 1.00 12.02 H new ATOM 0 HB2 ASP A 26 -16.200 -11.456 4.936 1.00 61.14 H new ATOM 0 HB3 ASP A 26 -15.235 -11.185 3.498 1.00 61.14 H new ATOM 412 N PHE A 27 -12.951 -9.339 5.731 1.00 60.21 N ATOM 413 CA PHE A 27 -12.181 -8.166 5.347 1.00 43.30 C ATOM 414 C PHE A 27 -10.766 -8.590 4.974 1.00 22.44 C ATOM 415 O PHE A 27 -9.993 -9.034 5.827 1.00 13.13 O ATOM 416 CB PHE A 27 -12.143 -7.091 6.438 1.00 3.34 C ATOM 417 CG PHE A 27 -13.428 -6.315 6.612 1.00 3.11 C ATOM 418 CD1 PHE A 27 -13.790 -5.379 5.631 1.00 74.22 C ATOM 419 CD2 PHE A 27 -14.253 -6.503 7.737 1.00 52.42 C ATOM 420 CE1 PHE A 27 -14.968 -4.628 5.756 1.00 40.12 C ATOM 421 CE2 PHE A 27 -15.451 -5.770 7.849 1.00 62.34 C ATOM 422 CZ PHE A 27 -15.812 -4.840 6.854 1.00 22.51 C ATOM 0 H PHE A 27 -13.191 -9.379 6.721 1.00 60.21 H new ATOM 0 HA PHE A 27 -12.679 -7.716 4.488 1.00 43.30 H new ATOM 0 HB2 PHE A 27 -11.891 -7.565 7.386 1.00 3.34 H new ATOM 0 HB3 PHE A 27 -11.340 -6.390 6.209 1.00 3.34 H new ATOM 0 HD1 PHE A 27 -13.154 -5.235 4.770 1.00 74.22 H new ATOM 0 HD2 PHE A 27 -13.970 -7.204 8.508 1.00 52.42 H new ATOM 0 HE1 PHE A 27 -15.223 -3.890 5.010 1.00 40.12 H new ATOM 0 HE2 PHE A 27 -16.096 -5.922 8.702 1.00 62.34 H new ATOM 0 HZ PHE A 27 -16.738 -4.291 6.938 1.00 22.51 H new ATOM 432 N VAL A 28 -10.440 -8.408 3.704 1.00 20.54 N ATOM 433 CA VAL A 28 -9.099 -8.423 3.152 1.00 31.22 C ATOM 434 C VAL A 28 -8.922 -7.119 2.367 1.00 41.34 C ATOM 435 O VAL A 28 -9.910 -6.444 2.053 1.00 43.12 O ATOM 436 CB VAL A 28 -8.871 -9.693 2.300 1.00 53.00 C ATOM 437 CG1 VAL A 28 -8.852 -10.946 3.185 1.00 52.04 C ATOM 438 CG2 VAL A 28 -9.914 -9.900 1.191 1.00 15.24 C ATOM 0 H VAL A 28 -11.148 -8.236 2.991 1.00 20.54 H new ATOM 0 HA VAL A 28 -8.341 -8.469 3.934 1.00 31.22 H new ATOM 0 HB VAL A 28 -7.905 -9.539 1.818 1.00 53.00 H new ATOM 0 HG11 VAL A 28 -8.690 -11.827 2.564 1.00 52.04 H new ATOM 0 HG12 VAL A 28 -8.047 -10.864 3.915 1.00 52.04 H new ATOM 0 HG13 VAL A 28 -9.805 -11.039 3.705 1.00 52.04 H new ATOM 0 HG21 VAL A 28 -9.683 -10.812 0.640 1.00 15.24 H new ATOM 0 HG22 VAL A 28 -10.906 -9.986 1.636 1.00 15.24 H new ATOM 0 HG23 VAL A 28 -9.894 -9.049 0.510 1.00 15.24 H new ATOM 448 N THR A 29 -7.683 -6.774 2.019 1.00 34.24 N ATOM 449 CA THR A 29 -7.368 -5.714 1.074 1.00 11.42 C ATOM 450 C THR A 29 -6.279 -6.227 0.140 1.00 73.34 C ATOM 451 O THR A 29 -5.406 -7.007 0.538 1.00 3.42 O ATOM 452 CB THR A 29 -6.948 -4.433 1.833 1.00 21.25 C ATOM 453 OG1 THR A 29 -8.057 -3.871 2.493 1.00 55.33 O ATOM 454 CG2 THR A 29 -6.305 -3.325 0.987 1.00 60.31 C ATOM 0 H THR A 29 -6.856 -7.236 2.397 1.00 34.24 H new ATOM 0 HA THR A 29 -8.239 -5.445 0.477 1.00 11.42 H new ATOM 0 HB THR A 29 -6.179 -4.785 2.521 1.00 21.25 H new ATOM 0 HG1 THR A 29 -7.755 -3.150 3.084 1.00 55.33 H new ATOM 0 HG21 THR A 29 -6.053 -2.479 1.626 1.00 60.31 H new ATOM 0 HG22 THR A 29 -5.399 -3.706 0.516 1.00 60.31 H new ATOM 0 HG23 THR A 29 -7.006 -3.002 0.217 1.00 60.31 H new ATOM 462 N CYS A 30 -6.301 -5.724 -1.091 1.00 40.44 N ATOM 463 CA CYS A 30 -5.251 -5.883 -2.074 1.00 0.51 C ATOM 464 C CYS A 30 -4.958 -4.476 -2.587 1.00 44.50 C ATOM 465 O CYS A 30 -5.854 -3.842 -3.148 1.00 35.15 O ATOM 466 CB CYS A 30 -5.714 -6.804 -3.210 1.00 55.24 C ATOM 467 SG CYS A 30 -6.509 -8.318 -2.594 1.00 14.12 S ATOM 0 H CYS A 30 -7.086 -5.173 -1.438 1.00 40.44 H new ATOM 0 HA CYS A 30 -4.359 -6.344 -1.650 1.00 0.51 H new ATOM 0 HB2 CYS A 30 -6.413 -6.265 -3.850 1.00 55.24 H new ATOM 0 HB3 CYS A 30 -4.858 -7.072 -3.828 1.00 55.24 H new ATOM 0 HG CYS A 30 -6.880 -9.054 -3.600 1.00 14.12 H new ATOM 473 N TYR A 31 -3.749 -3.956 -2.367 1.00 75.10 N ATOM 474 CA TYR A 31 -3.317 -2.744 -3.055 1.00 44.23 C ATOM 475 C TYR A 31 -2.772 -3.164 -4.417 1.00 4.52 C ATOM 476 O TYR A 31 -2.143 -4.225 -4.538 1.00 51.12 O ATOM 477 CB TYR A 31 -2.208 -2.011 -2.287 1.00 55.42 C ATOM 478 CG TYR A 31 -2.614 -1.343 -0.986 1.00 14.03 C ATOM 479 CD1 TYR A 31 -2.614 -2.089 0.203 1.00 54.13 C ATOM 480 CD2 TYR A 31 -2.926 0.031 -0.940 1.00 61.22 C ATOM 481 CE1 TYR A 31 -2.878 -1.467 1.435 1.00 55.11 C ATOM 482 CE2 TYR A 31 -3.224 0.654 0.289 1.00 63.40 C ATOM 483 CZ TYR A 31 -3.188 -0.094 1.491 1.00 35.51 C ATOM 484 OH TYR A 31 -3.392 0.465 2.718 1.00 11.33 O ATOM 0 H TYR A 31 -3.061 -4.351 -1.726 1.00 75.10 H new ATOM 0 HA TYR A 31 -4.165 -2.064 -3.141 1.00 44.23 H new ATOM 0 HB2 TYR A 31 -1.413 -2.725 -2.071 1.00 55.42 H new ATOM 0 HB3 TYR A 31 -1.784 -1.251 -2.943 1.00 55.42 H new ATOM 0 HD1 TYR A 31 -2.410 -3.149 0.171 1.00 54.13 H new ATOM 0 HD2 TYR A 31 -2.937 0.610 -1.852 1.00 61.22 H new ATOM 0 HE1 TYR A 31 -2.843 -2.046 2.346 1.00 55.11 H new ATOM 0 HE2 TYR A 31 -3.480 1.703 0.314 1.00 63.40 H new ATOM 0 HH TYR A 31 -4.014 1.218 2.635 1.00 11.33 H new ATOM 494 N THR A 32 -2.920 -2.306 -5.420 1.00 52.41 N ATOM 495 CA THR A 32 -2.148 -2.381 -6.648 1.00 73.44 C ATOM 496 C THR A 32 -1.584 -0.991 -6.879 1.00 40.53 C ATOM 497 O THR A 32 -2.347 -0.062 -7.139 1.00 20.43 O ATOM 498 CB THR A 32 -2.992 -2.860 -7.846 1.00 72.00 C ATOM 499 OG1 THR A 32 -3.973 -3.820 -7.476 1.00 63.20 O ATOM 500 CG2 THR A 32 -2.037 -3.489 -8.859 1.00 43.40 C ATOM 0 H THR A 32 -3.586 -1.533 -5.400 1.00 52.41 H new ATOM 0 HA THR A 32 -1.352 -3.120 -6.554 1.00 73.44 H new ATOM 0 HB THR A 32 -3.524 -2.003 -8.259 1.00 72.00 H new ATOM 0 HG1 THR A 32 -4.482 -4.090 -8.269 1.00 63.20 H new ATOM 0 HG21 THR A 32 -2.602 -3.840 -9.722 1.00 43.40 H new ATOM 0 HG22 THR A 32 -1.307 -2.746 -9.181 1.00 43.40 H new ATOM 0 HG23 THR A 32 -1.520 -4.330 -8.398 1.00 43.40 H new ATOM 508 N PHE A 33 -0.273 -0.811 -6.731 1.00 60.40 N ATOM 509 CA PHE A 33 0.338 0.436 -7.164 1.00 22.22 C ATOM 510 C PHE A 33 0.587 0.347 -8.679 1.00 22.34 C ATOM 511 O PHE A 33 0.206 -0.638 -9.317 1.00 24.23 O ATOM 512 CB PHE A 33 1.528 0.813 -6.265 1.00 4.54 C ATOM 513 CG PHE A 33 1.141 0.936 -4.797 1.00 42.14 C ATOM 514 CD1 PHE A 33 1.101 -0.213 -3.981 1.00 35.21 C ATOM 515 CD2 PHE A 33 0.808 2.187 -4.244 1.00 71.44 C ATOM 516 CE1 PHE A 33 0.731 -0.115 -2.629 1.00 1.35 C ATOM 517 CE2 PHE A 33 0.437 2.282 -2.890 1.00 71.33 C ATOM 518 CZ PHE A 33 0.392 1.134 -2.082 1.00 24.45 C ATOM 0 H PHE A 33 0.368 -1.493 -6.326 1.00 60.40 H new ATOM 0 HA PHE A 33 -0.322 1.294 -7.032 1.00 22.22 H new ATOM 0 HB2 PHE A 33 2.309 0.060 -6.369 1.00 4.54 H new ATOM 0 HB3 PHE A 33 1.950 1.759 -6.606 1.00 4.54 H new ATOM 0 HD1 PHE A 33 1.357 -1.176 -4.398 1.00 35.21 H new ATOM 0 HD2 PHE A 33 0.837 3.074 -4.859 1.00 71.44 H new ATOM 0 HE1 PHE A 33 0.707 -1.000 -2.010 1.00 1.35 H new ATOM 0 HE2 PHE A 33 0.185 3.244 -2.469 1.00 71.33 H new ATOM 0 HZ PHE A 33 0.098 1.211 -1.046 1.00 24.45 H new ATOM 528 N ASN A 34 1.134 1.396 -9.290 1.00 12.24 N ATOM 529 CA ASN A 34 1.569 1.388 -10.691 1.00 42.22 C ATOM 530 C ASN A 34 3.040 1.800 -10.709 1.00 35.42 C ATOM 531 O ASN A 34 3.649 1.979 -9.651 1.00 63.44 O ATOM 532 CB ASN A 34 0.691 2.282 -11.596 1.00 1.21 C ATOM 533 CG ASN A 34 -0.696 1.695 -11.849 1.00 14.25 C ATOM 534 OD1 ASN A 34 -1.065 1.387 -12.975 1.00 0.15 O ATOM 535 ND2 ASN A 34 -1.530 1.553 -10.839 1.00 31.31 N ATOM 0 H ASN A 34 1.291 2.289 -8.822 1.00 12.24 H new ATOM 0 HA ASN A 34 1.454 0.388 -11.110 1.00 42.22 H new ATOM 0 HB2 ASN A 34 0.585 3.264 -11.135 1.00 1.21 H new ATOM 0 HB3 ASN A 34 1.196 2.431 -12.550 1.00 1.21 H new ATOM 0 HD21 ASN A 34 -2.470 1.190 -11.001 1.00 31.31 H new ATOM 0 HD22 ASN A 34 -1.236 1.806 -9.895 1.00 31.31 H new ATOM 542 N ALA A 35 3.644 1.904 -11.890 1.00 24.25 N ATOM 543 CA ALA A 35 5.020 2.350 -12.002 1.00 22.01 C ATOM 544 C ALA A 35 5.155 3.838 -11.693 1.00 24.31 C ATOM 545 O ALA A 35 6.159 4.233 -11.103 1.00 52.31 O ATOM 546 CB ALA A 35 5.556 2.057 -13.392 1.00 20.13 C ATOM 0 H ALA A 35 3.198 1.684 -12.780 1.00 24.25 H new ATOM 0 HA ALA A 35 5.607 1.800 -11.266 1.00 22.01 H new ATOM 0 HB1 ALA A 35 6.589 2.397 -13.463 1.00 20.13 H new ATOM 0 HB2 ALA A 35 5.513 0.984 -13.580 1.00 20.13 H new ATOM 0 HB3 ALA A 35 4.951 2.580 -14.133 1.00 20.13 H new ATOM 552 N ASP A 36 4.193 4.642 -12.148 1.00 14.41 N ATOM 553 CA ASP A 36 4.225 6.099 -12.107 1.00 20.03 C ATOM 554 C ASP A 36 2.875 6.766 -12.442 1.00 34.15 C ATOM 555 O ASP A 36 2.783 7.994 -12.336 1.00 63.01 O ATOM 556 CB ASP A 36 5.379 6.641 -12.987 1.00 63.20 C ATOM 557 CG ASP A 36 5.668 5.907 -14.306 1.00 73.14 C ATOM 558 OD1 ASP A 36 4.726 5.430 -14.983 1.00 31.13 O ATOM 559 OD2 ASP A 36 6.868 5.725 -14.634 1.00 55.53 O ATOM 0 H ASP A 36 3.339 4.279 -12.571 1.00 14.41 H new ATOM 0 HA ASP A 36 4.419 6.376 -11.071 1.00 20.03 H new ATOM 0 HB2 ASP A 36 5.162 7.683 -13.222 1.00 63.20 H new ATOM 0 HB3 ASP A 36 6.291 6.632 -12.390 1.00 63.20 H new ATOM 564 N LYS A 37 1.811 6.022 -12.792 1.00 55.40 N ATOM 565 CA LYS A 37 0.522 6.561 -13.233 1.00 33.13 C ATOM 566 C LYS A 37 -0.454 6.696 -12.063 1.00 63.00 C ATOM 567 O LYS A 37 -0.664 7.829 -11.622 1.00 12.55 O ATOM 568 CB LYS A 37 0.003 5.711 -14.413 1.00 31.34 C ATOM 569 CG LYS A 37 -1.323 6.131 -15.074 1.00 1.21 C ATOM 570 CD LYS A 37 -1.414 7.601 -15.523 1.00 72.44 C ATOM 571 CE LYS A 37 -1.915 7.705 -16.972 1.00 42.54 C ATOM 572 NZ LYS A 37 -1.980 9.101 -17.461 1.00 31.42 N ATOM 0 H LYS A 37 1.829 5.002 -12.774 1.00 55.40 H new ATOM 0 HA LYS A 37 0.638 7.580 -13.603 1.00 33.13 H new ATOM 0 HB2 LYS A 37 0.773 5.703 -15.184 1.00 31.34 H new ATOM 0 HB3 LYS A 37 -0.108 4.685 -14.063 1.00 31.34 H new ATOM 0 HG2 LYS A 37 -1.491 5.495 -15.943 1.00 1.21 H new ATOM 0 HG3 LYS A 37 -2.134 5.934 -14.373 1.00 1.21 H new ATOM 0 HD2 LYS A 37 -2.088 8.146 -14.862 1.00 72.44 H new ATOM 0 HD3 LYS A 37 -0.435 8.072 -15.439 1.00 72.44 H new ATOM 0 HE2 LYS A 37 -1.256 7.128 -17.621 1.00 42.54 H new ATOM 0 HE3 LYS A 37 -2.905 7.255 -17.042 1.00 42.54 H new ATOM 0 HZ1 LYS A 37 -2.324 9.109 -18.442 1.00 31.42 H new ATOM 0 HZ2 LYS A 37 -2.630 9.649 -16.862 1.00 31.42 H new ATOM 0 HZ3 LYS A 37 -1.032 9.527 -17.423 1.00 31.42 H new ATOM 586 N THR A 38 -1.057 5.606 -11.579 1.00 4.32 N ATOM 587 CA THR A 38 -2.193 5.608 -10.645 1.00 42.43 C ATOM 588 C THR A 38 -2.034 4.504 -9.578 1.00 21.31 C ATOM 589 O THR A 38 -0.950 3.932 -9.438 1.00 11.42 O ATOM 590 CB THR A 38 -3.506 5.529 -11.463 1.00 61.24 C ATOM 591 OG1 THR A 38 -3.438 4.552 -12.491 1.00 34.23 O ATOM 592 CG2 THR A 38 -3.795 6.887 -12.112 1.00 23.25 C ATOM 0 H THR A 38 -0.759 4.664 -11.834 1.00 4.32 H new ATOM 0 HA THR A 38 -2.227 6.536 -10.074 1.00 42.43 H new ATOM 0 HB THR A 38 -4.299 5.250 -10.769 1.00 61.24 H new ATOM 0 HG1 THR A 38 -4.286 4.533 -12.981 1.00 34.23 H new ATOM 0 HG21 THR A 38 -4.719 6.826 -12.686 1.00 23.25 H new ATOM 0 HG22 THR A 38 -3.899 7.646 -11.337 1.00 23.25 H new ATOM 0 HG23 THR A 38 -2.973 7.156 -12.775 1.00 23.25 H new ATOM 600 N TYR A 39 -3.061 4.201 -8.776 1.00 43.30 N ATOM 601 CA TYR A 39 -3.098 3.039 -7.880 1.00 63.24 C ATOM 602 C TYR A 39 -4.538 2.526 -7.770 1.00 21.14 C ATOM 603 O TYR A 39 -5.465 3.207 -8.213 1.00 22.01 O ATOM 604 CB TYR A 39 -2.563 3.394 -6.481 1.00 33.24 C ATOM 605 CG TYR A 39 -3.593 4.021 -5.562 1.00 41.24 C ATOM 606 CD1 TYR A 39 -3.991 5.340 -5.807 1.00 0.43 C ATOM 607 CD2 TYR A 39 -4.157 3.307 -4.485 1.00 12.54 C ATOM 608 CE1 TYR A 39 -4.926 5.966 -4.974 1.00 31.04 C ATOM 609 CE2 TYR A 39 -5.100 3.930 -3.644 1.00 73.01 C ATOM 610 CZ TYR A 39 -5.492 5.265 -3.888 1.00 73.21 C ATOM 611 OH TYR A 39 -6.386 5.883 -3.071 1.00 51.31 O ATOM 0 H TYR A 39 -3.907 4.768 -8.731 1.00 43.30 H new ATOM 0 HA TYR A 39 -2.458 2.262 -8.298 1.00 63.24 H new ATOM 0 HB2 TYR A 39 -2.177 2.489 -6.012 1.00 33.24 H new ATOM 0 HB3 TYR A 39 -1.723 4.080 -6.589 1.00 33.24 H new ATOM 0 HD1 TYR A 39 -3.574 5.879 -6.645 1.00 0.43 H new ATOM 0 HD2 TYR A 39 -3.866 2.283 -4.305 1.00 12.54 H new ATOM 0 HE1 TYR A 39 -5.215 6.989 -5.163 1.00 31.04 H new ATOM 0 HE2 TYR A 39 -5.523 3.387 -2.812 1.00 73.01 H new ATOM 0 HH TYR A 39 -6.681 6.721 -3.484 1.00 51.31 H new ATOM 621 N GLU A 40 -4.720 1.380 -7.113 1.00 23.11 N ATOM 622 CA GLU A 40 -5.988 0.796 -6.704 1.00 72.43 C ATOM 623 C GLU A 40 -5.855 0.266 -5.268 1.00 32.02 C ATOM 624 O GLU A 40 -4.763 -0.147 -4.862 1.00 35.24 O ATOM 625 CB GLU A 40 -6.361 -0.368 -7.638 1.00 1.35 C ATOM 626 CG GLU A 40 -6.519 0.036 -9.108 1.00 53.50 C ATOM 627 CD GLU A 40 -7.005 -1.146 -9.941 1.00 31.01 C ATOM 628 OE1 GLU A 40 -6.203 -2.066 -10.230 1.00 34.41 O ATOM 629 OE2 GLU A 40 -8.204 -1.183 -10.284 1.00 15.24 O ATOM 0 H GLU A 40 -3.928 0.799 -6.836 1.00 23.11 H new ATOM 0 HA GLU A 40 -6.766 1.557 -6.754 1.00 72.43 H new ATOM 0 HB2 GLU A 40 -5.594 -1.139 -7.565 1.00 1.35 H new ATOM 0 HB3 GLU A 40 -7.294 -0.813 -7.292 1.00 1.35 H new ATOM 0 HG2 GLU A 40 -7.227 0.861 -9.190 1.00 53.50 H new ATOM 0 HG3 GLU A 40 -5.566 0.394 -9.497 1.00 53.50 H new ATOM 636 N VAL A 41 -6.960 0.214 -4.522 1.00 60.10 N ATOM 637 CA VAL A 41 -7.114 -0.476 -3.242 1.00 1.22 C ATOM 638 C VAL A 41 -8.591 -0.881 -3.108 1.00 1.42 C ATOM 639 O VAL A 41 -9.446 -0.263 -3.741 1.00 61.12 O ATOM 640 CB VAL A 41 -6.618 0.447 -2.099 1.00 72.04 C ATOM 641 CG1 VAL A 41 -7.493 1.675 -1.823 1.00 33.23 C ATOM 642 CG2 VAL A 41 -6.409 -0.322 -0.790 1.00 2.35 C ATOM 0 H VAL A 41 -7.820 0.679 -4.813 1.00 60.10 H new ATOM 0 HA VAL A 41 -6.510 -1.382 -3.184 1.00 1.22 H new ATOM 0 HB VAL A 41 -5.665 0.821 -2.474 1.00 72.04 H new ATOM 0 HG11 VAL A 41 -7.060 2.254 -1.007 1.00 33.23 H new ATOM 0 HG12 VAL A 41 -7.545 2.293 -2.719 1.00 33.23 H new ATOM 0 HG13 VAL A 41 -8.497 1.352 -1.546 1.00 33.23 H new ATOM 0 HG21 VAL A 41 -6.061 0.363 -0.017 1.00 2.35 H new ATOM 0 HG22 VAL A 41 -7.351 -0.773 -0.478 1.00 2.35 H new ATOM 0 HG23 VAL A 41 -5.665 -1.104 -0.942 1.00 2.35 H new ATOM 652 N TYR A 42 -8.934 -1.871 -2.279 1.00 35.01 N ATOM 653 CA TYR A 42 -10.313 -2.090 -1.836 1.00 62.02 C ATOM 654 C TYR A 42 -10.324 -2.852 -0.510 1.00 35.51 C ATOM 655 O TYR A 42 -9.322 -3.476 -0.160 1.00 33.21 O ATOM 656 CB TYR A 42 -11.160 -2.788 -2.917 1.00 71.32 C ATOM 657 CG TYR A 42 -11.021 -4.289 -3.106 1.00 42.31 C ATOM 658 CD1 TYR A 42 -9.763 -4.890 -3.316 1.00 33.13 C ATOM 659 CD2 TYR A 42 -12.187 -5.073 -3.193 1.00 35.21 C ATOM 660 CE1 TYR A 42 -9.672 -6.270 -3.572 1.00 54.11 C ATOM 661 CE2 TYR A 42 -12.102 -6.447 -3.467 1.00 35.43 C ATOM 662 CZ TYR A 42 -10.841 -7.059 -3.632 1.00 52.50 C ATOM 663 OH TYR A 42 -10.751 -8.392 -3.892 1.00 21.03 O ATOM 0 H TYR A 42 -8.266 -2.541 -1.897 1.00 35.01 H new ATOM 0 HA TYR A 42 -10.779 -1.119 -1.670 1.00 62.02 H new ATOM 0 HB2 TYR A 42 -12.208 -2.579 -2.700 1.00 71.32 H new ATOM 0 HB3 TYR A 42 -10.932 -2.314 -3.871 1.00 71.32 H new ATOM 0 HD1 TYR A 42 -8.866 -4.289 -3.280 1.00 33.13 H new ATOM 0 HD2 TYR A 42 -13.154 -4.614 -3.048 1.00 35.21 H new ATOM 0 HE1 TYR A 42 -8.705 -6.727 -3.723 1.00 54.11 H new ATOM 0 HE2 TYR A 42 -13.003 -7.037 -3.552 1.00 35.43 H new ATOM 0 HH TYR A 42 -11.648 -8.786 -3.897 1.00 21.03 H new ATOM 673 N THR A 43 -11.440 -2.816 0.222 1.00 43.33 N ATOM 674 CA THR A 43 -11.610 -3.480 1.511 1.00 0.41 C ATOM 675 C THR A 43 -13.088 -3.851 1.625 1.00 4.13 C ATOM 676 O THR A 43 -13.939 -3.014 1.314 1.00 2.32 O ATOM 677 CB THR A 43 -11.193 -2.544 2.677 1.00 41.00 C ATOM 678 OG1 THR A 43 -10.069 -1.741 2.331 1.00 13.45 O ATOM 679 CG2 THR A 43 -10.903 -3.332 3.969 1.00 20.43 C ATOM 0 H THR A 43 -12.273 -2.309 -0.077 1.00 43.33 H new ATOM 0 HA THR A 43 -10.978 -4.366 1.573 1.00 0.41 H new ATOM 0 HB THR A 43 -12.041 -1.885 2.863 1.00 41.00 H new ATOM 0 HG1 THR A 43 -9.262 -2.297 2.315 1.00 13.45 H new ATOM 0 HG21 THR A 43 -10.615 -2.640 4.760 1.00 20.43 H new ATOM 0 HG22 THR A 43 -11.797 -3.877 4.271 1.00 20.43 H new ATOM 0 HG23 THR A 43 -10.092 -4.038 3.790 1.00 20.43 H new ATOM 687 N GLY A 44 -13.413 -5.057 2.085 1.00 33.55 N ATOM 688 CA GLY A 44 -14.786 -5.449 2.389 1.00 63.20 C ATOM 689 C GLY A 44 -15.500 -5.939 1.139 1.00 12.21 C ATOM 690 O GLY A 44 -16.316 -5.245 0.528 1.00 4.22 O ATOM 0 H GLY A 44 -12.728 -5.793 2.258 1.00 33.55 H new ATOM 0 HA2 GLY A 44 -14.785 -6.235 3.144 1.00 63.20 H new ATOM 0 HA3 GLY A 44 -15.325 -4.601 2.812 1.00 63.20 H new ATOM 786 N PRO A 52 -14.400 -0.793 -5.475 1.00 43.50 N ATOM 787 CA PRO A 52 -12.979 -0.594 -5.281 1.00 60.34 C ATOM 788 C PRO A 52 -12.665 0.901 -5.319 1.00 40.40 C ATOM 789 O PRO A 52 -13.524 1.735 -5.629 1.00 73.03 O ATOM 790 CB PRO A 52 -12.313 -1.378 -6.406 1.00 73.03 C ATOM 791 CG PRO A 52 -13.337 -1.323 -7.539 1.00 55.43 C ATOM 792 CD PRO A 52 -14.688 -1.159 -6.851 1.00 12.12 C ATOM 0 HA PRO A 52 -12.614 -0.945 -4.316 1.00 60.34 H new ATOM 0 HB2 PRO A 52 -11.365 -0.929 -6.701 1.00 73.03 H new ATOM 0 HB3 PRO A 52 -12.100 -2.405 -6.108 1.00 73.03 H new ATOM 0 HG2 PRO A 52 -13.135 -0.490 -8.212 1.00 55.43 H new ATOM 0 HG3 PRO A 52 -13.309 -2.232 -8.139 1.00 55.43 H new ATOM 0 HD2 PRO A 52 -15.284 -0.390 -7.342 1.00 12.12 H new ATOM 0 HD3 PRO A 52 -15.263 -2.084 -6.896 1.00 12.12 H new ATOM 800 N PHE A 53 -11.424 1.245 -5.005 1.00 72.00 N ATOM 801 CA PHE A 53 -10.961 2.608 -4.871 1.00 13.25 C ATOM 802 C PHE A 53 -9.693 2.778 -5.688 1.00 21.31 C ATOM 803 O PHE A 53 -8.939 1.825 -5.879 1.00 53.13 O ATOM 804 CB PHE A 53 -10.684 2.888 -3.393 1.00 75.11 C ATOM 805 CG PHE A 53 -10.825 4.351 -3.058 1.00 35.33 C ATOM 806 CD1 PHE A 53 -12.102 4.857 -2.769 1.00 4.43 C ATOM 807 CD2 PHE A 53 -9.717 5.214 -3.076 1.00 20.14 C ATOM 808 CE1 PHE A 53 -12.268 6.208 -2.431 1.00 64.04 C ATOM 809 CE2 PHE A 53 -9.879 6.563 -2.729 1.00 33.25 C ATOM 810 CZ PHE A 53 -11.150 7.047 -2.363 1.00 61.44 C ATOM 0 H PHE A 53 -10.692 0.556 -4.832 1.00 72.00 H new ATOM 0 HA PHE A 53 -11.714 3.308 -5.234 1.00 13.25 H new ATOM 0 HB2 PHE A 53 -11.373 2.308 -2.779 1.00 75.11 H new ATOM 0 HB3 PHE A 53 -9.677 2.555 -3.144 1.00 75.11 H new ATOM 0 HD1 PHE A 53 -12.961 4.203 -2.807 1.00 4.43 H new ATOM 0 HD2 PHE A 53 -8.743 4.840 -3.356 1.00 20.14 H new ATOM 0 HE1 PHE A 53 -13.253 6.599 -2.224 1.00 64.04 H new ATOM 0 HE2 PHE A 53 -9.030 7.230 -2.742 1.00 33.25 H new ATOM 0 HZ PHE A 53 -11.262 8.068 -2.029 1.00 61.44 H new ATOM 820 N ARG A 54 -9.441 3.996 -6.156 1.00 61.11 N ATOM 821 CA ARG A 54 -8.258 4.355 -6.921 1.00 33.13 C ATOM 822 C ARG A 54 -8.042 5.859 -6.848 1.00 0.13 C ATOM 823 O ARG A 54 -8.851 6.587 -6.264 1.00 61.22 O ATOM 824 CB ARG A 54 -8.430 3.886 -8.376 1.00 63.10 C ATOM 825 CG ARG A 54 -9.774 4.299 -8.979 1.00 35.31 C ATOM 826 CD ARG A 54 -9.734 4.069 -10.481 1.00 41.20 C ATOM 827 NE ARG A 54 -11.089 3.882 -11.007 1.00 41.21 N ATOM 828 CZ ARG A 54 -11.677 2.704 -11.235 1.00 60.14 C ATOM 829 NH1 ARG A 54 -11.003 1.559 -11.117 1.00 13.15 N ATOM 830 NH2 ARG A 54 -12.958 2.715 -11.562 1.00 3.13 N ATOM 0 H ARG A 54 -10.074 4.782 -6.008 1.00 61.11 H new ATOM 0 HA ARG A 54 -7.378 3.865 -6.504 1.00 33.13 H new ATOM 0 HB2 ARG A 54 -7.623 4.297 -8.983 1.00 63.10 H new ATOM 0 HB3 ARG A 54 -8.338 2.801 -8.416 1.00 63.10 H new ATOM 0 HG2 ARG A 54 -10.582 3.720 -8.531 1.00 35.31 H new ATOM 0 HG3 ARG A 54 -9.977 5.348 -8.764 1.00 35.31 H new ATOM 0 HD2 ARG A 54 -9.261 4.919 -10.973 1.00 41.20 H new ATOM 0 HD3 ARG A 54 -9.126 3.192 -10.705 1.00 41.20 H new ATOM 0 HE ARG A 54 -11.629 4.722 -11.217 1.00 41.21 H new ATOM 0 HH11 ARG A 54 -10.019 1.572 -10.848 1.00 13.15 H new ATOM 0 HH12 ARG A 54 -11.471 0.671 -11.296 1.00 13.15 H new ATOM 0 HH21 ARG A 54 -13.459 3.601 -11.632 1.00 3.13 H new ATOM 0 HH22 ARG A 54 -13.445 1.838 -11.744 1.00 3.13 H new ATOM 844 N GLY A 55 -6.981 6.317 -7.492 1.00 20.25 N ATOM 845 CA GLY A 55 -6.584 7.702 -7.605 1.00 40.50 C ATOM 846 C GLY A 55 -5.122 7.673 -8.009 1.00 71.42 C ATOM 847 O GLY A 55 -4.729 6.847 -8.839 1.00 1.33 O ATOM 0 H GLY A 55 -6.339 5.691 -7.977 1.00 20.25 H new ATOM 0 HA2 GLY A 55 -7.186 8.223 -8.349 1.00 40.50 H new ATOM 0 HA3 GLY A 55 -6.720 8.227 -6.660 1.00 40.50 H new ATOM 851 N THR A 56 -4.305 8.500 -7.376 1.00 1.41 N ATOM 852 CA THR A 56 -2.865 8.528 -7.549 1.00 55.11 C ATOM 853 C THR A 56 -2.210 8.186 -6.210 1.00 53.54 C ATOM 854 O THR A 56 -2.744 8.509 -5.145 1.00 23.44 O ATOM 855 CB THR A 56 -2.455 9.912 -8.085 1.00 52.52 C ATOM 856 OG1 THR A 56 -3.190 10.938 -7.447 1.00 61.32 O ATOM 857 CG2 THR A 56 -2.752 10.016 -9.582 1.00 61.34 C ATOM 0 H THR A 56 -4.639 9.192 -6.706 1.00 1.41 H new ATOM 0 HA THR A 56 -2.529 7.790 -8.277 1.00 55.11 H new ATOM 0 HB THR A 56 -1.389 10.027 -7.890 1.00 52.52 H new ATOM 0 HG1 THR A 56 -2.912 11.808 -7.802 1.00 61.32 H new ATOM 0 HG21 THR A 56 -2.456 11.001 -9.944 1.00 61.34 H new ATOM 0 HG22 THR A 56 -2.193 9.249 -10.118 1.00 61.34 H new ATOM 0 HG23 THR A 56 -3.819 9.873 -9.752 1.00 61.34 H new ATOM 865 N TYR A 57 -1.064 7.513 -6.265 1.00 43.32 N ATOM 866 CA TYR A 57 -0.097 7.503 -5.186 1.00 0.55 C ATOM 867 C TYR A 57 0.988 8.520 -5.535 1.00 53.50 C ATOM 868 O TYR A 57 1.201 8.855 -6.709 1.00 15.23 O ATOM 869 CB TYR A 57 0.487 6.099 -4.987 1.00 72.34 C ATOM 870 CG TYR A 57 1.532 5.686 -6.002 1.00 3.12 C ATOM 871 CD1 TYR A 57 1.148 5.192 -7.260 1.00 32.23 C ATOM 872 CD2 TYR A 57 2.896 5.839 -5.695 1.00 35.04 C ATOM 873 CE1 TYR A 57 2.119 4.874 -8.222 1.00 42.40 C ATOM 874 CE2 TYR A 57 3.875 5.509 -6.645 1.00 41.11 C ATOM 875 CZ TYR A 57 3.486 5.038 -7.915 1.00 31.04 C ATOM 876 OH TYR A 57 4.423 4.789 -8.858 1.00 11.15 O ATOM 0 H TYR A 57 -0.783 6.955 -7.071 1.00 43.32 H new ATOM 0 HA TYR A 57 -0.571 7.775 -4.243 1.00 0.55 H new ATOM 0 HB2 TYR A 57 0.928 6.044 -3.992 1.00 72.34 H new ATOM 0 HB3 TYR A 57 -0.329 5.376 -5.014 1.00 72.34 H new ATOM 0 HD1 TYR A 57 0.101 5.056 -7.488 1.00 32.23 H new ATOM 0 HD2 TYR A 57 3.191 6.212 -4.725 1.00 35.04 H new ATOM 0 HE1 TYR A 57 1.821 4.506 -9.193 1.00 42.40 H new ATOM 0 HE2 TYR A 57 4.922 5.616 -6.404 1.00 41.11 H new ATOM 0 HH TYR A 57 4.345 3.860 -9.159 1.00 11.15 H new ATOM 886 N ILE A 58 1.684 9.005 -4.513 1.00 1.21 N ATOM 887 CA ILE A 58 2.764 9.976 -4.628 1.00 40.52 C ATOM 888 C ILE A 58 3.784 9.577 -3.563 1.00 11.14 C ATOM 889 O ILE A 58 3.375 9.316 -2.431 1.00 40.11 O ATOM 890 CB ILE A 58 2.221 11.411 -4.394 1.00 24.01 C ATOM 891 CG1 ILE A 58 0.966 11.745 -5.239 1.00 74.23 C ATOM 892 CG2 ILE A 58 3.344 12.425 -4.659 1.00 1.41 C ATOM 893 CD1 ILE A 58 0.379 13.133 -4.970 1.00 72.02 C ATOM 0 H ILE A 58 1.505 8.723 -3.549 1.00 1.21 H new ATOM 0 HA ILE A 58 3.217 9.979 -5.619 1.00 40.52 H new ATOM 0 HB ILE A 58 1.897 11.469 -3.355 1.00 24.01 H new ATOM 0 HG12 ILE A 58 1.223 11.670 -6.296 1.00 74.23 H new ATOM 0 HG13 ILE A 58 0.200 10.995 -5.043 1.00 74.23 H new ATOM 0 HG21 ILE A 58 2.968 13.435 -4.496 1.00 1.41 H new ATOM 0 HG22 ILE A 58 4.175 12.233 -3.980 1.00 1.41 H new ATOM 0 HG23 ILE A 58 3.687 12.327 -5.689 1.00 1.41 H new ATOM 0 HD11 ILE A 58 -0.496 13.287 -5.602 1.00 72.02 H new ATOM 0 HD12 ILE A 58 0.088 13.208 -3.922 1.00 72.02 H new ATOM 0 HD13 ILE A 58 1.127 13.894 -5.194 1.00 72.02 H new ATOM 905 N ILE A 59 5.076 9.507 -3.898 1.00 35.34 N ATOM 906 CA ILE A 59 6.152 9.159 -2.967 1.00 22.21 C ATOM 907 C ILE A 59 6.880 10.431 -2.502 1.00 3.25 C ATOM 908 O ILE A 59 6.686 11.536 -3.025 1.00 61.23 O ATOM 909 CB ILE A 59 7.133 8.111 -3.575 1.00 15.35 C ATOM 910 CG1 ILE A 59 6.456 6.960 -4.354 1.00 62.30 C ATOM 911 CG2 ILE A 59 8.041 7.503 -2.479 1.00 22.14 C ATOM 912 CD1 ILE A 59 5.619 6.018 -3.489 1.00 0.43 C ATOM 0 H ILE A 59 5.409 9.695 -4.844 1.00 35.34 H new ATOM 0 HA ILE A 59 5.707 8.684 -2.093 1.00 22.21 H new ATOM 0 HB ILE A 59 7.718 8.678 -4.299 1.00 15.35 H new ATOM 0 HG12 ILE A 59 5.817 7.387 -5.127 1.00 62.30 H new ATOM 0 HG13 ILE A 59 7.226 6.379 -4.862 1.00 62.30 H new ATOM 0 HG21 ILE A 59 8.716 6.775 -2.929 1.00 22.14 H new ATOM 0 HG22 ILE A 59 8.623 8.295 -2.008 1.00 22.14 H new ATOM 0 HG23 ILE A 59 7.424 7.010 -1.728 1.00 22.14 H new ATOM 0 HD11 ILE A 59 5.181 5.241 -4.116 1.00 0.43 H new ATOM 0 HD12 ILE A 59 6.254 5.558 -2.732 1.00 0.43 H new ATOM 0 HD13 ILE A 59 4.824 6.582 -3.001 1.00 0.43 H new ATOM 924 N SER A 60 7.718 10.255 -1.485 1.00 31.34 N ATOM 925 CA SER A 60 8.646 11.199 -0.920 1.00 35.33 C ATOM 926 C SER A 60 9.725 11.661 -1.886 1.00 4.04 C ATOM 927 O SER A 60 10.208 10.904 -2.732 1.00 31.55 O ATOM 928 CB SER A 60 9.280 10.468 0.261 1.00 2.35 C ATOM 929 OG SER A 60 9.816 9.208 -0.077 1.00 40.14 O ATOM 0 H SER A 60 7.760 9.360 -0.998 1.00 31.34 H new ATOM 0 HA SER A 60 8.119 12.111 -0.641 1.00 35.33 H new ATOM 0 HB2 SER A 60 10.071 11.090 0.680 1.00 2.35 H new ATOM 0 HB3 SER A 60 8.530 10.337 1.041 1.00 2.35 H new ATOM 0 HG SER A 60 10.207 8.794 0.721 1.00 40.14 H new ATOM 935 N LEU A 61 10.169 12.901 -1.676 1.00 11.15 N ATOM 936 CA LEU A 61 11.265 13.514 -2.410 1.00 71.14 C ATOM 937 C LEU A 61 12.394 13.930 -1.464 1.00 64.33 C ATOM 938 O LEU A 61 13.441 14.361 -1.952 1.00 23.52 O ATOM 939 CB LEU A 61 10.766 14.742 -3.189 1.00 73.31 C ATOM 940 CG LEU A 61 9.457 14.597 -3.984 1.00 32.21 C ATOM 941 CD1 LEU A 61 9.114 15.947 -4.620 1.00 33.02 C ATOM 942 CD2 LEU A 61 9.562 13.498 -5.046 1.00 31.12 C ATOM 0 H LEU A 61 9.763 13.518 -0.972 1.00 11.15 H new ATOM 0 HA LEU A 61 11.653 12.775 -3.111 1.00 71.14 H new ATOM 0 HB2 LEU A 61 10.640 15.561 -2.481 1.00 73.31 H new ATOM 0 HB3 LEU A 61 11.550 15.040 -3.885 1.00 73.31 H new ATOM 0 HG LEU A 61 8.658 14.300 -3.304 1.00 32.21 H new ATOM 0 HD11 LEU A 61 8.187 15.857 -5.187 1.00 33.02 H new ATOM 0 HD12 LEU A 61 8.990 16.696 -3.838 1.00 33.02 H new ATOM 0 HD13 LEU A 61 9.920 16.250 -5.288 1.00 33.02 H new ATOM 0 HD21 LEU A 61 8.619 13.424 -5.588 1.00 31.12 H new ATOM 0 HD22 LEU A 61 10.363 13.742 -5.744 1.00 31.12 H new ATOM 0 HD23 LEU A 61 9.779 12.545 -4.563 1.00 31.12 H new ATOM 954 N ASP A 62 12.178 13.842 -0.143 1.00 62.51 N ATOM 955 CA ASP A 62 13.177 14.094 0.890 1.00 4.43 C ATOM 956 C ASP A 62 12.781 13.243 2.109 1.00 52.33 C ATOM 957 O ASP A 62 13.116 12.065 2.164 1.00 24.14 O ATOM 958 CB ASP A 62 13.218 15.596 1.271 1.00 40.21 C ATOM 959 CG ASP A 62 13.500 16.556 0.123 1.00 23.41 C ATOM 960 OD1 ASP A 62 14.678 16.770 -0.249 1.00 61.34 O ATOM 961 OD2 ASP A 62 12.504 17.122 -0.394 1.00 72.22 O ATOM 0 H ASP A 62 11.269 13.584 0.242 1.00 62.51 H new ATOM 0 HA ASP A 62 14.172 13.830 0.531 1.00 4.43 H new ATOM 0 HB2 ASP A 62 12.262 15.865 1.720 1.00 40.21 H new ATOM 0 HB3 ASP A 62 13.981 15.738 2.036 1.00 40.21 H new ATOM 966 N GLU A 63 11.913 13.771 2.984 1.00 62.30 N ATOM 967 CA GLU A 63 11.514 13.199 4.276 1.00 65.54 C ATOM 968 C GLU A 63 9.999 12.946 4.326 1.00 70.30 C ATOM 969 O GLU A 63 9.489 12.344 5.273 1.00 10.04 O ATOM 970 CB GLU A 63 11.985 14.156 5.395 1.00 45.02 C ATOM 971 CG GLU A 63 11.373 13.830 6.765 1.00 54.31 C ATOM 972 CD GLU A 63 11.967 14.587 7.937 1.00 34.15 C ATOM 973 OE1 GLU A 63 12.038 15.833 7.882 1.00 71.10 O ATOM 974 OE2 GLU A 63 12.254 13.906 8.950 1.00 61.13 O ATOM 0 H GLU A 63 11.445 14.658 2.798 1.00 62.30 H new ATOM 0 HA GLU A 63 11.986 12.227 4.418 1.00 65.54 H new ATOM 0 HB2 GLU A 63 13.072 14.111 5.469 1.00 45.02 H new ATOM 0 HB3 GLU A 63 11.726 15.179 5.122 1.00 45.02 H new ATOM 0 HG2 GLU A 63 10.303 14.036 6.725 1.00 54.31 H new ATOM 0 HG3 GLU A 63 11.485 12.762 6.950 1.00 54.31 H new ATOM 981 N LYS A 64 9.249 13.369 3.299 1.00 64.34 N ATOM 982 CA LYS A 64 7.853 12.963 3.160 1.00 72.32 C ATOM 983 C LYS A 64 7.783 11.442 2.958 1.00 32.45 C ATOM 984 O LYS A 64 8.755 10.723 3.168 1.00 23.21 O ATOM 985 CB LYS A 64 7.133 13.820 2.092 1.00 11.42 C ATOM 986 CG LYS A 64 5.867 14.469 2.683 1.00 11.12 C ATOM 987 CD LYS A 64 6.202 15.620 3.651 1.00 52.30 C ATOM 988 CE LYS A 64 5.041 15.903 4.614 1.00 30.31 C ATOM 989 NZ LYS A 64 3.939 16.636 3.965 1.00 50.42 N ATOM 0 H LYS A 64 9.586 13.987 2.561 1.00 64.34 H new ATOM 0 HA LYS A 64 7.293 13.162 4.074 1.00 72.32 H new ATOM 0 HB2 LYS A 64 7.807 14.593 1.723 1.00 11.42 H new ATOM 0 HB3 LYS A 64 6.865 13.198 1.238 1.00 11.42 H new ATOM 0 HG2 LYS A 64 5.243 14.847 1.873 1.00 11.12 H new ATOM 0 HG3 LYS A 64 5.284 13.712 3.208 1.00 11.12 H new ATOM 0 HD2 LYS A 64 7.096 15.368 4.222 1.00 52.30 H new ATOM 0 HD3 LYS A 64 6.431 16.521 3.081 1.00 52.30 H new ATOM 0 HE2 LYS A 64 4.663 14.960 5.010 1.00 30.31 H new ATOM 0 HE3 LYS A 64 5.408 16.481 5.462 1.00 30.31 H new ATOM 0 HZ1 LYS A 64 3.179 16.803 4.655 1.00 50.42 H new ATOM 0 HZ2 LYS A 64 4.291 17.548 3.609 1.00 50.42 H new ATOM 0 HZ3 LYS A 64 3.568 16.075 3.172 1.00 50.42 H new ATOM 1003 N LEU A 65 6.646 10.913 2.525 1.00 11.25 N ATOM 1004 CA LEU A 65 6.382 9.486 2.500 1.00 34.35 C ATOM 1005 C LEU A 65 5.401 9.191 1.380 1.00 3.11 C ATOM 1006 O LEU A 65 5.007 10.114 0.656 1.00 13.41 O ATOM 1007 CB LEU A 65 5.977 8.987 3.885 1.00 64.31 C ATOM 1008 CG LEU A 65 5.078 9.895 4.751 1.00 62.14 C ATOM 1009 CD1 LEU A 65 3.595 9.616 4.558 1.00 60.21 C ATOM 1010 CD2 LEU A 65 5.478 9.664 6.197 1.00 51.01 C ATOM 0 H LEU A 65 5.870 11.476 2.176 1.00 11.25 H new ATOM 0 HA LEU A 65 7.282 8.916 2.270 1.00 34.35 H new ATOM 0 HB2 LEU A 65 5.465 8.033 3.759 1.00 64.31 H new ATOM 0 HB3 LEU A 65 6.889 8.787 4.447 1.00 64.31 H new ATOM 0 HG LEU A 65 5.223 10.934 4.453 1.00 62.14 H new ATOM 0 HD11 LEU A 65 3.013 10.285 5.193 1.00 60.21 H new ATOM 0 HD12 LEU A 65 3.327 9.781 3.515 1.00 60.21 H new ATOM 0 HD13 LEU A 65 3.381 8.582 4.828 1.00 60.21 H new ATOM 0 HD21 LEU A 65 4.866 10.288 6.848 1.00 51.01 H new ATOM 0 HD22 LEU A 65 5.327 8.615 6.453 1.00 51.01 H new ATOM 0 HD23 LEU A 65 6.529 9.922 6.330 1.00 51.01 H new ATOM 1022 N ILE A 66 5.065 7.916 1.176 1.00 51.40 N ATOM 1023 CA ILE A 66 4.014 7.580 0.235 1.00 72.40 C ATOM 1024 C ILE A 66 2.694 8.061 0.833 1.00 53.31 C ATOM 1025 O ILE A 66 2.430 7.839 2.021 1.00 35.25 O ATOM 1026 CB ILE A 66 4.043 6.095 -0.195 1.00 60.33 C ATOM 1027 CG1 ILE A 66 2.862 5.795 -1.149 1.00 34.34 C ATOM 1028 CG2 ILE A 66 4.101 5.092 0.961 1.00 13.05 C ATOM 1029 CD1 ILE A 66 2.934 4.423 -1.825 1.00 73.20 C ATOM 0 H ILE A 66 5.499 7.119 1.642 1.00 51.40 H new ATOM 0 HA ILE A 66 4.165 8.095 -0.714 1.00 72.40 H new ATOM 0 HB ILE A 66 4.986 5.953 -0.723 1.00 60.33 H new ATOM 0 HG12 ILE A 66 1.930 5.863 -0.588 1.00 34.34 H new ATOM 0 HG13 ILE A 66 2.827 6.566 -1.919 1.00 34.34 H new ATOM 0 HG21 ILE A 66 4.118 4.078 0.562 1.00 13.05 H new ATOM 0 HG22 ILE A 66 5.002 5.266 1.549 1.00 13.05 H new ATOM 0 HG23 ILE A 66 3.224 5.218 1.596 1.00 13.05 H new ATOM 0 HD11 ILE A 66 2.070 4.292 -2.476 1.00 73.20 H new ATOM 0 HD12 ILE A 66 3.847 4.356 -2.416 1.00 73.20 H new ATOM 0 HD13 ILE A 66 2.936 3.642 -1.064 1.00 73.20 H new ATOM 1041 N LYS A 67 1.862 8.702 0.012 1.00 35.35 N ATOM 1042 CA LYS A 67 0.487 9.074 0.330 1.00 12.12 C ATOM 1043 C LYS A 67 -0.405 8.627 -0.827 1.00 4.11 C ATOM 1044 O LYS A 67 0.041 8.655 -1.982 1.00 15.43 O ATOM 1045 CB LYS A 67 0.404 10.578 0.634 1.00 51.14 C ATOM 1046 CG LYS A 67 1.157 10.917 1.935 1.00 31.12 C ATOM 1047 CD LYS A 67 0.671 12.181 2.663 1.00 41.40 C ATOM 1048 CE LYS A 67 1.489 13.448 2.408 1.00 2.31 C ATOM 1049 NZ LYS A 67 1.575 13.803 0.984 1.00 41.24 N ATOM 0 H LYS A 67 2.139 8.986 -0.927 1.00 35.35 H new ATOM 0 HA LYS A 67 0.134 8.574 1.232 1.00 12.12 H new ATOM 0 HB2 LYS A 67 0.828 11.145 -0.195 1.00 51.14 H new ATOM 0 HB3 LYS A 67 -0.640 10.878 0.724 1.00 51.14 H new ATOM 0 HG2 LYS A 67 1.073 10.070 2.616 1.00 31.12 H new ATOM 0 HG3 LYS A 67 2.215 11.035 1.703 1.00 31.12 H new ATOM 0 HD2 LYS A 67 -0.362 12.372 2.371 1.00 41.40 H new ATOM 0 HD3 LYS A 67 0.667 11.982 3.735 1.00 41.40 H new ATOM 0 HE2 LYS A 67 1.043 14.278 2.957 1.00 2.31 H new ATOM 0 HE3 LYS A 67 2.495 13.309 2.803 1.00 2.31 H new ATOM 0 HZ1 LYS A 67 1.912 14.782 0.890 1.00 41.24 H new ATOM 0 HZ2 LYS A 67 2.239 13.161 0.506 1.00 41.24 H new ATOM 0 HZ3 LYS A 67 0.635 13.717 0.547 1.00 41.24 H new ATOM 1063 N LEU A 68 -1.624 8.176 -0.524 1.00 4.21 N ATOM 1064 CA LEU A 68 -2.634 7.744 -1.486 1.00 21.43 C ATOM 1065 C LEU A 68 -3.733 8.791 -1.542 1.00 31.13 C ATOM 1066 O LEU A 68 -4.151 9.269 -0.492 1.00 54.02 O ATOM 1067 CB LEU A 68 -3.283 6.417 -1.039 1.00 32.35 C ATOM 1068 CG LEU A 68 -2.526 5.113 -1.333 1.00 32.55 C ATOM 1069 CD1 LEU A 68 -1.990 5.111 -2.760 1.00 21.23 C ATOM 1070 CD2 LEU A 68 -1.373 4.825 -0.374 1.00 0.21 C ATOM 0 H LEU A 68 -1.946 8.099 0.441 1.00 4.21 H new ATOM 0 HA LEU A 68 -2.153 7.611 -2.455 1.00 21.43 H new ATOM 0 HB2 LEU A 68 -3.450 6.472 0.037 1.00 32.35 H new ATOM 0 HB3 LEU A 68 -4.263 6.348 -1.511 1.00 32.35 H new ATOM 0 HG LEU A 68 -3.263 4.322 -1.193 1.00 32.55 H new ATOM 0 HD11 LEU A 68 -1.457 4.179 -2.947 1.00 21.23 H new ATOM 0 HD12 LEU A 68 -2.820 5.202 -3.461 1.00 21.23 H new ATOM 0 HD13 LEU A 68 -1.309 5.951 -2.894 1.00 21.23 H new ATOM 0 HD21 LEU A 68 -0.893 3.887 -0.653 1.00 0.21 H new ATOM 0 HD22 LEU A 68 -0.645 5.634 -0.427 1.00 0.21 H new ATOM 0 HD23 LEU A 68 -1.757 4.748 0.643 1.00 0.21 H new ATOM 1082 N TYR A 69 -4.247 9.099 -2.733 1.00 60.20 N ATOM 1083 CA TYR A 69 -5.232 10.154 -2.964 1.00 73.11 C ATOM 1084 C TYR A 69 -6.511 9.587 -3.554 1.00 20.32 C ATOM 1085 O TYR A 69 -6.589 8.406 -3.893 1.00 41.21 O ATOM 1086 CB TYR A 69 -4.628 11.234 -3.872 1.00 42.50 C ATOM 1087 CG TYR A 69 -3.553 11.999 -3.144 1.00 72.12 C ATOM 1088 CD1 TYR A 69 -2.257 11.461 -3.059 1.00 0.34 C ATOM 1089 CD2 TYR A 69 -3.889 13.171 -2.444 1.00 12.32 C ATOM 1090 CE1 TYR A 69 -1.305 12.065 -2.229 1.00 23.31 C ATOM 1091 CE2 TYR A 69 -2.937 13.787 -1.616 1.00 63.30 C ATOM 1092 CZ TYR A 69 -1.646 13.222 -1.498 1.00 51.31 C ATOM 1093 OH TYR A 69 -0.713 13.781 -0.688 1.00 72.22 O ATOM 0 H TYR A 69 -3.982 8.608 -3.587 1.00 60.20 H new ATOM 0 HA TYR A 69 -5.494 10.609 -2.009 1.00 73.11 H new ATOM 0 HB2 TYR A 69 -4.211 10.773 -4.767 1.00 42.50 H new ATOM 0 HB3 TYR A 69 -5.410 11.919 -4.201 1.00 42.50 H new ATOM 0 HD1 TYR A 69 -1.996 10.584 -3.633 1.00 0.34 H new ATOM 0 HD2 TYR A 69 -4.877 13.596 -2.543 1.00 12.32 H new ATOM 0 HE1 TYR A 69 -0.313 11.646 -2.149 1.00 23.31 H new ATOM 0 HE2 TYR A 69 -3.189 14.686 -1.073 1.00 63.30 H new ATOM 0 HH TYR A 69 -1.091 14.572 -0.250 1.00 72.22 H new ATOM 1103 N ASP A 70 -7.529 10.426 -3.692 1.00 61.03 N ATOM 1104 CA ASP A 70 -8.819 10.037 -4.245 1.00 53.22 C ATOM 1105 C ASP A 70 -9.288 11.011 -5.308 1.00 53.33 C ATOM 1106 O ASP A 70 -8.558 11.914 -5.717 1.00 15.54 O ATOM 1107 CB ASP A 70 -9.863 9.993 -3.139 1.00 12.15 C ATOM 1108 CG ASP A 70 -10.221 11.382 -2.643 1.00 3.53 C ATOM 1109 OD1 ASP A 70 -9.304 12.194 -2.405 1.00 21.25 O ATOM 1110 OD2 ASP A 70 -11.437 11.652 -2.565 1.00 61.41 O ATOM 0 H ASP A 70 -7.481 11.408 -3.420 1.00 61.03 H new ATOM 0 HA ASP A 70 -8.696 9.053 -4.698 1.00 53.22 H new ATOM 0 HB2 ASP A 70 -10.761 9.496 -3.507 1.00 12.15 H new ATOM 0 HB3 ASP A 70 -9.487 9.397 -2.308 1.00 12.15 H new ATOM 1115 N LYS A 71 -10.531 10.805 -5.741 1.00 21.04 N ATOM 1116 CA LYS A 71 -11.176 11.662 -6.730 1.00 43.33 C ATOM 1117 C LYS A 71 -11.388 13.099 -6.248 1.00 63.14 C ATOM 1118 O LYS A 71 -11.402 13.996 -7.092 1.00 43.21 O ATOM 1119 CB LYS A 71 -12.456 11.041 -7.319 1.00 4.21 C ATOM 1120 CG LYS A 71 -13.619 10.687 -6.380 1.00 52.33 C ATOM 1121 CD LYS A 71 -13.467 9.327 -5.681 1.00 32.43 C ATOM 1122 CE LYS A 71 -14.789 8.792 -5.114 1.00 32.13 C ATOM 1123 NZ LYS A 71 -15.428 9.745 -4.190 1.00 55.21 N ATOM 0 H LYS A 71 -11.118 10.038 -5.414 1.00 21.04 H new ATOM 0 HA LYS A 71 -10.465 11.732 -7.553 1.00 43.33 H new ATOM 0 HB2 LYS A 71 -12.840 11.731 -8.070 1.00 4.21 H new ATOM 0 HB3 LYS A 71 -12.167 10.129 -7.842 1.00 4.21 H new ATOM 0 HG2 LYS A 71 -13.710 11.465 -5.622 1.00 52.33 H new ATOM 0 HG3 LYS A 71 -14.547 10.688 -6.952 1.00 52.33 H new ATOM 0 HD2 LYS A 71 -13.063 8.604 -6.390 1.00 32.43 H new ATOM 0 HD3 LYS A 71 -12.742 9.420 -4.872 1.00 32.43 H new ATOM 0 HE2 LYS A 71 -15.471 8.572 -5.935 1.00 32.13 H new ATOM 0 HE3 LYS A 71 -14.604 7.853 -4.593 1.00 32.13 H new ATOM 0 HZ1 LYS A 71 -16.252 9.295 -3.743 1.00 55.21 H new ATOM 0 HZ2 LYS A 71 -14.747 10.027 -3.456 1.00 55.21 H new ATOM 0 HZ3 LYS A 71 -15.737 10.586 -4.718 1.00 55.21 H new ATOM 1137 N GLU A 72 -11.520 13.352 -4.946 1.00 33.25 N ATOM 1138 CA GLU A 72 -11.535 14.710 -4.402 1.00 24.44 C ATOM 1139 C GLU A 72 -10.122 15.210 -4.072 1.00 4.13 C ATOM 1140 O GLU A 72 -9.977 16.351 -3.649 1.00 1.43 O ATOM 1141 CB GLU A 72 -12.470 14.776 -3.179 1.00 40.30 C ATOM 1142 CG GLU A 72 -13.847 15.353 -3.527 1.00 2.53 C ATOM 1143 CD GLU A 72 -13.817 16.857 -3.807 1.00 33.43 C ATOM 1144 OE1 GLU A 72 -13.563 17.257 -4.959 1.00 44.40 O ATOM 1145 OE2 GLU A 72 -14.036 17.655 -2.864 1.00 61.43 O ATOM 0 H GLU A 72 -11.619 12.623 -4.240 1.00 33.25 H new ATOM 0 HA GLU A 72 -11.924 15.382 -5.167 1.00 24.44 H new ATOM 0 HB2 GLU A 72 -12.593 13.775 -2.764 1.00 40.30 H new ATOM 0 HB3 GLU A 72 -12.008 15.388 -2.404 1.00 40.30 H new ATOM 0 HG2 GLU A 72 -14.240 14.835 -4.402 1.00 2.53 H new ATOM 0 HG3 GLU A 72 -14.535 15.157 -2.704 1.00 2.53 H new ATOM 1152 N GLU A 73 -9.080 14.407 -4.293 1.00 64.11 N ATOM 1153 CA GLU A 73 -7.675 14.744 -4.126 1.00 31.05 C ATOM 1154 C GLU A 73 -7.370 15.209 -2.696 1.00 33.22 C ATOM 1155 O GLU A 73 -6.804 16.293 -2.518 1.00 60.12 O ATOM 1156 CB GLU A 73 -7.207 15.729 -5.220 1.00 55.43 C ATOM 1157 CG GLU A 73 -7.629 15.290 -6.638 1.00 11.22 C ATOM 1158 CD GLU A 73 -6.638 15.630 -7.753 1.00 44.12 C ATOM 1159 OE1 GLU A 73 -5.417 15.705 -7.495 1.00 33.33 O ATOM 1160 OE2 GLU A 73 -7.063 15.656 -8.932 1.00 55.12 O ATOM 0 H GLU A 73 -9.208 13.447 -4.613 1.00 64.11 H new ATOM 0 HA GLU A 73 -7.083 13.840 -4.265 1.00 31.05 H new ATOM 0 HB2 GLU A 73 -7.618 16.717 -5.013 1.00 55.43 H new ATOM 0 HB3 GLU A 73 -6.122 15.820 -5.180 1.00 55.43 H new ATOM 0 HG2 GLU A 73 -7.789 14.212 -6.634 1.00 11.22 H new ATOM 0 HG3 GLU A 73 -8.587 15.753 -6.873 1.00 11.22 H new ATOM 1167 N HIS A 74 -7.717 14.398 -1.681 1.00 33.14 N ATOM 1168 CA HIS A 74 -7.630 14.808 -0.275 1.00 33.22 C ATOM 1169 C HIS A 74 -6.795 13.940 0.668 1.00 44.40 C ATOM 1170 O HIS A 74 -6.706 14.248 1.857 1.00 73.13 O ATOM 1171 CB HIS A 74 -9.033 15.042 0.300 1.00 40.44 C ATOM 1172 CG HIS A 74 -9.807 13.788 0.625 1.00 74.43 C ATOM 1173 ND1 HIS A 74 -10.753 13.196 -0.173 1.00 34.52 N ATOM 1174 CD2 HIS A 74 -9.714 13.035 1.766 1.00 13.35 C ATOM 1175 CE1 HIS A 74 -11.246 12.136 0.481 1.00 55.22 C ATOM 1176 NE2 HIS A 74 -10.646 11.997 1.673 1.00 35.23 N ATOM 0 H HIS A 74 -8.063 13.448 -1.814 1.00 33.14 H new ATOM 0 HA HIS A 74 -7.059 15.735 -0.319 1.00 33.22 H new ATOM 0 HB2 HIS A 74 -8.942 15.640 1.207 1.00 40.44 H new ATOM 0 HB3 HIS A 74 -9.608 15.631 -0.414 1.00 40.44 H new ATOM 0 HD2 HIS A 74 -9.040 13.212 2.591 1.00 13.35 H new ATOM 0 HE1 HIS A 74 -12.019 11.484 0.102 1.00 55.22 H new ATOM 0 HE2 HIS A 74 -10.833 11.278 2.372 1.00 35.23 H new ATOM 1184 N CYS A 75 -6.125 12.921 0.137 1.00 52.40 N ATOM 1185 CA CYS A 75 -5.306 11.950 0.860 1.00 51.03 C ATOM 1186 C CYS A 75 -6.165 11.011 1.724 1.00 62.21 C ATOM 1187 O CYS A 75 -6.757 11.417 2.729 1.00 42.40 O ATOM 1188 CB CYS A 75 -4.187 12.629 1.663 1.00 53.43 C ATOM 1189 SG CYS A 75 -2.963 11.402 2.181 1.00 63.40 S ATOM 0 H CYS A 75 -6.139 12.740 -0.867 1.00 52.40 H new ATOM 0 HA CYS A 75 -4.814 11.324 0.116 1.00 51.03 H new ATOM 0 HB2 CYS A 75 -3.709 13.398 1.057 1.00 53.43 H new ATOM 0 HB3 CYS A 75 -4.607 13.127 2.537 1.00 53.43 H new ATOM 0 HG CYS A 75 -3.045 10.356 1.413 1.00 63.40 H new ATOM 1195 N THR A 76 -6.229 9.738 1.341 1.00 20.32 N ATOM 1196 CA THR A 76 -6.998 8.715 2.037 1.00 14.34 C ATOM 1197 C THR A 76 -6.160 8.035 3.121 1.00 73.31 C ATOM 1198 O THR A 76 -6.646 7.821 4.233 1.00 71.42 O ATOM 1199 CB THR A 76 -7.560 7.720 1.011 1.00 51.22 C ATOM 1200 OG1 THR A 76 -6.535 7.099 0.250 1.00 21.33 O ATOM 1201 CG2 THR A 76 -8.476 8.459 0.035 1.00 32.23 C ATOM 0 H THR A 76 -5.737 9.384 0.521 1.00 20.32 H new ATOM 0 HA THR A 76 -7.839 9.177 2.555 1.00 14.34 H new ATOM 0 HB THR A 76 -8.099 6.955 1.569 1.00 51.22 H new ATOM 0 HG1 THR A 76 -6.936 6.473 -0.389 1.00 21.33 H new ATOM 0 HG21 THR A 76 -8.876 7.754 -0.694 1.00 32.23 H new ATOM 0 HG22 THR A 76 -9.298 8.918 0.584 1.00 32.23 H new ATOM 0 HG23 THR A 76 -7.908 9.233 -0.482 1.00 32.23 H new ATOM 1209 N GLU A 77 -4.895 7.718 2.831 1.00 14.02 N ATOM 1210 CA GLU A 77 -3.952 7.164 3.791 1.00 11.05 C ATOM 1211 C GLU A 77 -2.558 7.695 3.490 1.00 33.42 C ATOM 1212 O GLU A 77 -2.271 8.133 2.372 1.00 4.41 O ATOM 1213 CB GLU A 77 -3.902 5.632 3.722 1.00 23.31 C ATOM 1214 CG GLU A 77 -5.190 4.916 4.132 1.00 62.42 C ATOM 1215 CD GLU A 77 -4.912 3.419 4.259 1.00 44.44 C ATOM 1216 OE1 GLU A 77 -4.823 2.725 3.213 1.00 51.00 O ATOM 1217 OE2 GLU A 77 -4.745 2.944 5.404 1.00 44.04 O ATOM 0 H GLU A 77 -4.495 7.844 1.901 1.00 14.02 H new ATOM 0 HA GLU A 77 -4.284 7.460 4.786 1.00 11.05 H new ATOM 0 HB2 GLU A 77 -3.652 5.339 2.702 1.00 23.31 H new ATOM 0 HB3 GLU A 77 -3.092 5.282 4.362 1.00 23.31 H new ATOM 0 HG2 GLU A 77 -5.555 5.312 5.080 1.00 62.42 H new ATOM 0 HG3 GLU A 77 -5.970 5.092 3.391 1.00 62.42 H new ATOM 1224 N GLN A 78 -1.674 7.588 4.477 1.00 23.33 N ATOM 1225 CA GLN A 78 -0.279 7.945 4.399 1.00 15.03 C ATOM 1226 C GLN A 78 0.460 6.903 5.238 1.00 72.11 C ATOM 1227 O GLN A 78 -0.096 6.441 6.229 1.00 54.11 O ATOM 1228 CB GLN A 78 -0.138 9.370 4.939 1.00 21.44 C ATOM 1229 CG GLN A 78 -0.749 9.616 6.319 1.00 30.34 C ATOM 1230 CD GLN A 78 -0.501 11.048 6.732 1.00 52.23 C ATOM 1231 OE1 GLN A 78 0.471 11.277 7.586 1.00 5.45 O flip ATOM 1232 NE2 GLN A 78 -1.136 11.974 6.246 1.00 52.23 N flip ATOM 0 H GLN A 78 -1.934 7.231 5.396 1.00 23.33 H new ATOM 0 HA GLN A 78 0.134 7.943 3.390 1.00 15.03 H new ATOM 0 HB2 GLN A 78 0.922 9.621 4.981 1.00 21.44 H new ATOM 0 HB3 GLN A 78 -0.600 10.056 4.229 1.00 21.44 H new ATOM 0 HG2 GLN A 78 -1.820 9.413 6.296 1.00 30.34 H new ATOM 0 HG3 GLN A 78 -0.311 8.935 7.049 1.00 30.34 H new ATOM 0 HE21 GLN A 78 -1.888 11.784 5.584 1.00 52.23 H new ATOM 0 HE22 GLN A 78 -0.913 12.936 6.503 1.00 52.23 H new ATOM 1241 N TYR A 79 1.664 6.485 4.847 1.00 34.55 N ATOM 1242 CA TYR A 79 2.513 5.616 5.658 1.00 12.42 C ATOM 1243 C TYR A 79 3.958 5.652 5.179 1.00 22.33 C ATOM 1244 O TYR A 79 4.221 5.837 3.990 1.00 73.20 O ATOM 1245 CB TYR A 79 1.917 4.202 5.850 1.00 75.50 C ATOM 1246 CG TYR A 79 0.892 3.721 4.842 1.00 42.10 C ATOM 1247 CD1 TYR A 79 1.125 3.829 3.465 1.00 23.44 C ATOM 1248 CD2 TYR A 79 -0.357 3.270 5.306 1.00 31.55 C ATOM 1249 CE1 TYR A 79 0.091 3.545 2.557 1.00 20.55 C ATOM 1250 CE2 TYR A 79 -1.398 2.993 4.407 1.00 12.31 C ATOM 1251 CZ TYR A 79 -1.186 3.175 3.026 1.00 43.12 C ATOM 1252 OH TYR A 79 -2.192 3.009 2.136 1.00 71.21 O ATOM 0 H TYR A 79 2.079 6.743 3.952 1.00 34.55 H new ATOM 0 HA TYR A 79 2.537 6.018 6.671 1.00 12.42 H new ATOM 0 HB2 TYR A 79 2.742 3.489 5.854 1.00 75.50 H new ATOM 0 HB3 TYR A 79 1.458 4.164 6.838 1.00 75.50 H new ATOM 0 HD1 TYR A 79 2.097 4.130 3.102 1.00 23.44 H new ATOM 0 HD2 TYR A 79 -0.516 3.136 6.366 1.00 31.55 H new ATOM 0 HE1 TYR A 79 0.275 3.610 1.495 1.00 20.55 H new ATOM 0 HE2 TYR A 79 -2.353 2.643 4.770 1.00 12.31 H new ATOM 0 HH TYR A 79 -2.430 2.060 2.084 1.00 71.21 H new ATOM 1262 N HIS A 80 4.895 5.530 6.119 1.00 42.22 N ATOM 1263 CA HIS A 80 6.323 5.529 5.871 1.00 63.20 C ATOM 1264 C HIS A 80 6.718 4.198 5.255 1.00 11.14 C ATOM 1265 O HIS A 80 6.263 3.136 5.681 1.00 31.22 O ATOM 1266 CB HIS A 80 7.135 5.764 7.160 1.00 61.30 C ATOM 1267 CG HIS A 80 8.079 6.931 7.015 1.00 42.04 C ATOM 1268 ND1 HIS A 80 8.034 8.126 7.702 1.00 51.04 N ATOM 1269 CD2 HIS A 80 9.117 7.006 6.124 1.00 43.40 C ATOM 1270 CE1 HIS A 80 9.018 8.907 7.224 1.00 62.32 C ATOM 1271 NE2 HIS A 80 9.709 8.259 6.269 1.00 23.53 N ATOM 0 H HIS A 80 4.665 5.426 7.107 1.00 42.22 H new ATOM 0 HA HIS A 80 6.548 6.349 5.189 1.00 63.20 H new ATOM 0 HB2 HIS A 80 6.454 5.947 7.992 1.00 61.30 H new ATOM 0 HB3 HIS A 80 7.701 4.865 7.403 1.00 61.30 H new ATOM 0 HD2 HIS A 80 9.422 6.233 5.434 1.00 43.40 H new ATOM 0 HE1 HIS A 80 9.225 9.913 7.559 1.00 62.32 H new ATOM 0 HE2 HIS A 80 10.512 8.616 5.751 1.00 23.53 H new ATOM 1279 N ILE A 81 7.634 4.245 4.297 1.00 23.32 N ATOM 1280 CA ILE A 81 8.256 3.051 3.763 1.00 14.22 C ATOM 1281 C ILE A 81 9.432 2.756 4.680 1.00 14.32 C ATOM 1282 O ILE A 81 10.440 3.458 4.596 1.00 24.34 O ATOM 1283 CB ILE A 81 8.679 3.255 2.292 1.00 75.42 C ATOM 1284 CG1 ILE A 81 7.479 3.769 1.459 1.00 23.35 C ATOM 1285 CG2 ILE A 81 9.285 1.928 1.792 1.00 41.04 C ATOM 1286 CD1 ILE A 81 7.790 4.055 -0.011 1.00 3.34 C ATOM 0 H ILE A 81 7.963 5.112 3.872 1.00 23.32 H new ATOM 0 HA ILE A 81 7.570 2.204 3.742 1.00 14.22 H new ATOM 0 HB ILE A 81 9.443 4.025 2.187 1.00 75.42 H new ATOM 0 HG12 ILE A 81 6.678 3.031 1.509 1.00 23.35 H new ATOM 0 HG13 ILE A 81 7.100 4.682 1.919 1.00 23.35 H new ATOM 0 HG21 ILE A 81 9.595 2.038 0.753 1.00 41.04 H new ATOM 0 HG22 ILE A 81 10.150 1.670 2.403 1.00 41.04 H new ATOM 0 HG23 ILE A 81 8.539 1.137 1.866 1.00 41.04 H new ATOM 0 HD11 ILE A 81 6.889 4.410 -0.511 1.00 3.34 H new ATOM 0 HD12 ILE A 81 8.566 4.818 -0.077 1.00 3.34 H new ATOM 0 HD13 ILE A 81 8.137 3.142 -0.494 1.00 3.34 H new ATOM 1298 N LEU A 82 9.277 1.756 5.552 1.00 43.22 N ATOM 1299 CA LEU A 82 10.405 1.178 6.272 1.00 33.15 C ATOM 1300 C LEU A 82 11.246 0.421 5.247 1.00 13.34 C ATOM 1301 O LEU A 82 12.389 0.788 4.984 1.00 60.22 O ATOM 1302 CB LEU A 82 9.946 0.265 7.427 1.00 71.24 C ATOM 1303 CG LEU A 82 9.084 0.957 8.501 1.00 0.03 C ATOM 1304 CD1 LEU A 82 8.620 -0.067 9.546 1.00 43.01 C ATOM 1305 CD2 LEU A 82 9.831 2.076 9.233 1.00 13.14 C ATOM 0 H LEU A 82 8.376 1.332 5.774 1.00 43.22 H new ATOM 0 HA LEU A 82 10.996 1.963 6.745 1.00 33.15 H new ATOM 0 HB2 LEU A 82 9.380 -0.567 7.009 1.00 71.24 H new ATOM 0 HB3 LEU A 82 10.828 -0.159 7.908 1.00 71.24 H new ATOM 0 HG LEU A 82 8.236 1.396 7.975 1.00 0.03 H new ATOM 0 HD11 LEU A 82 8.012 0.433 10.300 1.00 43.01 H new ATOM 0 HD12 LEU A 82 8.029 -0.842 9.058 1.00 43.01 H new ATOM 0 HD13 LEU A 82 9.489 -0.520 10.023 1.00 43.01 H new ATOM 0 HD21 LEU A 82 9.174 2.526 9.977 1.00 13.14 H new ATOM 0 HD22 LEU A 82 10.710 1.663 9.728 1.00 13.14 H new ATOM 0 HD23 LEU A 82 10.141 2.836 8.516 1.00 13.14 H new ATOM 1317 N LYS A 83 10.662 -0.595 4.597 1.00 43.23 N ATOM 1318 CA LYS A 83 11.303 -1.284 3.484 1.00 43.23 C ATOM 1319 C LYS A 83 10.276 -1.853 2.518 1.00 14.33 C ATOM 1320 O LYS A 83 9.075 -1.918 2.796 1.00 51.10 O ATOM 1321 CB LYS A 83 12.262 -2.386 3.992 1.00 62.22 C ATOM 1322 CG LYS A 83 13.715 -1.883 4.097 1.00 40.14 C ATOM 1323 CD LYS A 83 14.741 -3.006 3.923 1.00 13.03 C ATOM 1324 CE LYS A 83 14.835 -3.472 2.466 1.00 13.14 C ATOM 1325 NZ LYS A 83 15.802 -4.591 2.333 1.00 2.34 N ATOM 0 H LYS A 83 9.737 -0.956 4.831 1.00 43.23 H new ATOM 0 HA LYS A 83 11.895 -0.550 2.938 1.00 43.23 H new ATOM 0 HB2 LYS A 83 11.928 -2.735 4.969 1.00 62.22 H new ATOM 0 HB3 LYS A 83 12.222 -3.241 3.317 1.00 62.22 H new ATOM 0 HG2 LYS A 83 13.887 -1.119 3.339 1.00 40.14 H new ATOM 0 HG3 LYS A 83 13.862 -1.409 5.067 1.00 40.14 H new ATOM 0 HD2 LYS A 83 15.719 -2.660 4.257 1.00 13.03 H new ATOM 0 HD3 LYS A 83 14.468 -3.849 4.557 1.00 13.03 H new ATOM 0 HE2 LYS A 83 13.853 -3.791 2.117 1.00 13.14 H new ATOM 0 HE3 LYS A 83 15.144 -2.641 1.833 1.00 13.14 H new ATOM 0 HZ1 LYS A 83 15.851 -4.892 1.339 1.00 2.34 H new ATOM 0 HZ2 LYS A 83 16.743 -4.276 2.646 1.00 2.34 H new ATOM 0 HZ3 LYS A 83 15.491 -5.390 2.921 1.00 2.34 H new ATOM 1339 N LEU A 84 10.797 -2.281 1.373 1.00 40.42 N ATOM 1340 CA LEU A 84 10.149 -2.957 0.267 1.00 54.33 C ATOM 1341 C LEU A 84 11.243 -3.874 -0.275 1.00 44.24 C ATOM 1342 O LEU A 84 12.348 -3.385 -0.501 1.00 41.11 O ATOM 1343 CB LEU A 84 9.736 -1.907 -0.781 1.00 40.31 C ATOM 1344 CG LEU A 84 8.630 -2.344 -1.751 1.00 20.45 C ATOM 1345 CD1 LEU A 84 8.240 -1.155 -2.630 1.00 23.33 C ATOM 1346 CD2 LEU A 84 9.075 -3.485 -2.663 1.00 21.44 C ATOM 0 H LEU A 84 11.790 -2.146 1.182 1.00 40.42 H new ATOM 0 HA LEU A 84 9.249 -3.508 0.541 1.00 54.33 H new ATOM 0 HB2 LEU A 84 9.404 -1.009 -0.260 1.00 40.31 H new ATOM 0 HB3 LEU A 84 10.617 -1.632 -1.361 1.00 40.31 H new ATOM 0 HG LEU A 84 7.790 -2.694 -1.152 1.00 20.45 H new ATOM 0 HD11 LEU A 84 7.454 -1.457 -3.323 1.00 23.33 H new ATOM 0 HD12 LEU A 84 7.877 -0.342 -2.002 1.00 23.33 H new ATOM 0 HD13 LEU A 84 9.110 -0.818 -3.193 1.00 23.33 H new ATOM 0 HD21 LEU A 84 8.257 -3.758 -3.330 1.00 21.44 H new ATOM 0 HD22 LEU A 84 9.934 -3.165 -3.253 1.00 21.44 H new ATOM 0 HD23 LEU A 84 9.352 -4.348 -2.057 1.00 21.44 H new ATOM 1358 N THR A 85 10.985 -5.161 -0.449 1.00 63.10 N ATOM 1359 CA THR A 85 11.943 -6.118 -1.003 1.00 63.31 C ATOM 1360 C THR A 85 11.299 -6.840 -2.189 1.00 63.34 C ATOM 1361 O THR A 85 10.164 -6.531 -2.563 1.00 54.40 O ATOM 1362 CB THR A 85 12.480 -7.063 0.086 1.00 22.14 C ATOM 1363 OG1 THR A 85 11.569 -8.099 0.391 1.00 42.13 O ATOM 1364 CG2 THR A 85 12.865 -6.334 1.376 1.00 62.23 C ATOM 0 H THR A 85 10.088 -5.582 -0.206 1.00 63.10 H new ATOM 0 HA THR A 85 12.822 -5.595 -1.380 1.00 63.31 H new ATOM 0 HB THR A 85 13.384 -7.498 -0.341 1.00 22.14 H new ATOM 0 HG1 THR A 85 11.950 -8.676 1.085 1.00 42.13 H new ATOM 0 HG21 THR A 85 13.236 -7.055 2.104 1.00 62.23 H new ATOM 0 HG22 THR A 85 13.643 -5.601 1.162 1.00 62.23 H new ATOM 0 HG23 THR A 85 11.990 -5.826 1.782 1.00 62.23 H new ATOM 1372 N SER A 86 11.961 -7.842 -2.768 1.00 42.35 N ATOM 1373 CA SER A 86 11.394 -8.607 -3.860 1.00 51.31 C ATOM 1374 C SER A 86 10.098 -9.310 -3.467 1.00 20.12 C ATOM 1375 O SER A 86 9.289 -9.554 -4.362 1.00 75.25 O ATOM 1376 CB SER A 86 12.439 -9.574 -4.393 1.00 44.25 C ATOM 1377 OG SER A 86 13.604 -8.899 -4.842 1.00 0.00 O ATOM 0 H SER A 86 12.897 -8.138 -2.491 1.00 42.35 H new ATOM 0 HA SER A 86 11.117 -7.919 -4.659 1.00 51.31 H new ATOM 0 HB2 SER A 86 12.709 -10.284 -3.611 1.00 44.25 H new ATOM 0 HB3 SER A 86 12.014 -10.151 -5.214 1.00 44.25 H new ATOM 0 HG SER A 86 13.402 -7.949 -4.972 1.00 0.00 H new ATOM 1383 N LYS A 87 9.828 -9.526 -2.172 1.00 35.53 N ATOM 1384 CA LYS A 87 8.542 -10.044 -1.708 1.00 72.11 C ATOM 1385 C LYS A 87 7.955 -9.329 -0.490 1.00 72.23 C ATOM 1386 O LYS A 87 6.754 -9.462 -0.298 1.00 20.34 O ATOM 1387 CB LYS A 87 8.616 -11.569 -1.513 1.00 72.51 C ATOM 1388 CG LYS A 87 9.779 -12.043 -0.628 1.00 34.31 C ATOM 1389 CD LYS A 87 9.714 -13.562 -0.430 1.00 14.34 C ATOM 1390 CE LYS A 87 10.943 -14.088 0.318 1.00 2.02 C ATOM 1391 NZ LYS A 87 12.132 -14.252 -0.553 1.00 3.21 N ATOM 0 H LYS A 87 10.495 -9.346 -1.422 1.00 35.53 H new ATOM 0 HA LYS A 87 7.829 -9.822 -2.502 1.00 72.11 H new ATOM 0 HB2 LYS A 87 7.679 -11.912 -1.074 1.00 72.51 H new ATOM 0 HB3 LYS A 87 8.703 -12.044 -2.490 1.00 72.51 H new ATOM 0 HG2 LYS A 87 10.729 -11.770 -1.087 1.00 34.31 H new ATOM 0 HG3 LYS A 87 9.737 -11.541 0.339 1.00 34.31 H new ATOM 0 HD2 LYS A 87 8.812 -13.818 0.126 1.00 14.34 H new ATOM 0 HD3 LYS A 87 9.641 -14.053 -1.400 1.00 14.34 H new ATOM 0 HE2 LYS A 87 11.187 -13.403 1.130 1.00 2.02 H new ATOM 0 HE3 LYS A 87 10.700 -15.048 0.774 1.00 2.02 H new ATOM 0 HZ1 LYS A 87 12.929 -14.610 0.011 1.00 3.21 H new ATOM 0 HZ2 LYS A 87 11.915 -14.928 -1.313 1.00 3.21 H new ATOM 0 HZ3 LYS A 87 12.387 -13.333 -0.969 1.00 3.21 H new ATOM 1405 N GLU A 88 8.703 -8.565 0.310 1.00 4.11 N ATOM 1406 CA GLU A 88 8.181 -8.012 1.566 1.00 11.12 C ATOM 1407 C GLU A 88 7.884 -6.509 1.428 1.00 61.10 C ATOM 1408 O GLU A 88 8.512 -5.816 0.629 1.00 21.12 O ATOM 1409 CB GLU A 88 9.209 -8.266 2.687 1.00 15.11 C ATOM 1410 CG GLU A 88 8.518 -8.431 4.049 1.00 14.30 C ATOM 1411 CD GLU A 88 9.475 -8.338 5.241 1.00 72.12 C ATOM 1412 OE1 GLU A 88 10.367 -7.458 5.276 1.00 11.41 O ATOM 1413 OE2 GLU A 88 9.297 -9.081 6.233 1.00 11.04 O ATOM 0 H GLU A 88 9.672 -8.314 0.112 1.00 4.11 H new ATOM 0 HA GLU A 88 7.241 -8.506 1.813 1.00 11.12 H new ATOM 0 HB2 GLU A 88 9.786 -9.162 2.458 1.00 15.11 H new ATOM 0 HB3 GLU A 88 9.914 -7.436 2.732 1.00 15.11 H new ATOM 0 HG2 GLU A 88 7.749 -7.665 4.151 1.00 14.30 H new ATOM 0 HG3 GLU A 88 8.012 -9.396 4.075 1.00 14.30 H new ATOM 1420 N MET A 89 6.978 -5.959 2.238 1.00 73.22 N ATOM 1421 CA MET A 89 6.710 -4.529 2.375 1.00 12.14 C ATOM 1422 C MET A 89 6.383 -4.230 3.840 1.00 60.20 C ATOM 1423 O MET A 89 5.645 -4.976 4.482 1.00 33.21 O ATOM 1424 CB MET A 89 5.521 -4.141 1.480 1.00 3.45 C ATOM 1425 CG MET A 89 5.042 -2.696 1.675 1.00 73.30 C ATOM 1426 SD MET A 89 3.289 -2.398 1.316 1.00 64.20 S ATOM 1427 CE MET A 89 3.317 -2.020 -0.442 1.00 3.12 C ATOM 0 H MET A 89 6.384 -6.526 2.844 1.00 73.22 H new ATOM 0 HA MET A 89 7.583 -3.952 2.069 1.00 12.14 H new ATOM 0 HB2 MET A 89 5.803 -4.282 0.437 1.00 3.45 H new ATOM 0 HB3 MET A 89 4.691 -4.819 1.681 1.00 3.45 H new ATOM 0 HG2 MET A 89 5.238 -2.403 2.706 1.00 73.30 H new ATOM 0 HG3 MET A 89 5.641 -2.044 1.039 1.00 73.30 H new ATOM 0 HE1 MET A 89 3.057 -0.972 -0.593 1.00 3.12 H new ATOM 0 HE2 MET A 89 4.315 -2.207 -0.838 1.00 3.12 H new ATOM 0 HE3 MET A 89 2.596 -2.651 -0.961 1.00 3.12 H new ATOM 1437 N LYS A 90 6.874 -3.092 4.338 1.00 54.13 N ATOM 1438 CA LYS A 90 6.529 -2.531 5.644 1.00 34.12 C ATOM 1439 C LYS A 90 6.184 -1.052 5.517 1.00 20.12 C ATOM 1440 O LYS A 90 7.055 -0.235 5.207 1.00 2.23 O ATOM 1441 CB LYS A 90 7.693 -2.749 6.606 1.00 12.23 C ATOM 1442 CG LYS A 90 7.625 -4.112 7.296 1.00 35.22 C ATOM 1443 CD LYS A 90 8.893 -4.962 7.229 1.00 4.33 C ATOM 1444 CE LYS A 90 8.670 -6.100 8.229 1.00 14.41 C ATOM 1445 NZ LYS A 90 9.721 -7.134 8.217 1.00 0.43 N ATOM 0 H LYS A 90 7.544 -2.518 3.826 1.00 54.13 H new ATOM 0 HA LYS A 90 5.648 -3.037 6.038 1.00 34.12 H new ATOM 0 HB2 LYS A 90 8.633 -2.666 6.061 1.00 12.23 H new ATOM 0 HB3 LYS A 90 7.691 -1.962 7.360 1.00 12.23 H new ATOM 0 HG2 LYS A 90 7.373 -3.954 8.345 1.00 35.22 H new ATOM 0 HG3 LYS A 90 6.807 -4.680 6.854 1.00 35.22 H new ATOM 0 HD2 LYS A 90 9.055 -5.349 6.223 1.00 4.33 H new ATOM 0 HD3 LYS A 90 9.774 -4.376 7.490 1.00 4.33 H new ATOM 0 HE2 LYS A 90 8.603 -5.679 9.232 1.00 14.41 H new ATOM 0 HE3 LYS A 90 7.710 -6.572 8.017 1.00 14.41 H new ATOM 0 HZ1 LYS A 90 9.358 -7.992 7.755 1.00 0.43 H new ATOM 0 HZ2 LYS A 90 10.548 -6.782 7.694 1.00 0.43 H new ATOM 0 HZ3 LYS A 90 9.999 -7.358 9.194 1.00 0.43 H new ATOM 1459 N TRP A 91 4.902 -0.743 5.703 1.00 21.21 N ATOM 1460 CA TRP A 91 4.243 0.529 5.437 1.00 33.15 C ATOM 1461 C TRP A 91 3.778 1.096 6.790 1.00 32.12 C ATOM 1462 O TRP A 91 2.614 0.967 7.166 1.00 14.04 O ATOM 1463 CB TRP A 91 3.082 0.272 4.449 1.00 72.21 C ATOM 1464 CG TRP A 91 3.231 0.762 3.037 1.00 24.41 C ATOM 1465 CD1 TRP A 91 2.201 1.274 2.332 1.00 1.11 C ATOM 1466 CD2 TRP A 91 4.371 0.770 2.111 1.00 51.33 C ATOM 1467 NE1 TRP A 91 2.638 1.747 1.125 1.00 20.44 N ATOM 1468 CE2 TRP A 91 3.937 1.380 0.891 1.00 41.41 C ATOM 1469 CE3 TRP A 91 5.699 0.282 2.123 1.00 61.22 C ATOM 1470 CZ2 TRP A 91 4.757 1.520 -0.235 1.00 71.23 C ATOM 1471 CZ3 TRP A 91 6.506 0.351 0.967 1.00 54.43 C ATOM 1472 CH2 TRP A 91 6.052 0.997 -0.195 1.00 54.44 C ATOM 0 H TRP A 91 4.248 -1.432 6.073 1.00 21.21 H new ATOM 0 HA TRP A 91 4.901 1.264 4.974 1.00 33.15 H new ATOM 0 HB2 TRP A 91 2.908 -0.803 4.412 1.00 72.21 H new ATOM 0 HB3 TRP A 91 2.183 0.726 4.866 1.00 72.21 H new ATOM 0 HD1 TRP A 91 1.177 1.306 2.672 1.00 1.11 H new ATOM 0 HE1 TRP A 91 2.071 2.301 0.483 1.00 20.44 H new ATOM 0 HE3 TRP A 91 6.100 -0.149 3.028 1.00 61.22 H new ATOM 0 HZ2 TRP A 91 4.395 2.024 -1.119 1.00 71.23 H new ATOM 0 HZ3 TRP A 91 7.487 -0.100 0.976 1.00 54.43 H new ATOM 0 HH2 TRP A 91 6.701 1.089 -1.053 1.00 54.44 H new ATOM 1483 N GLU A 92 4.690 1.656 7.576 1.00 73.51 N ATOM 1484 CA GLU A 92 4.375 2.069 8.940 1.00 44.31 C ATOM 1485 C GLU A 92 3.453 3.289 8.944 1.00 53.40 C ATOM 1486 O GLU A 92 3.721 4.253 8.233 1.00 44.31 O ATOM 1487 CB GLU A 92 5.689 2.359 9.667 1.00 22.23 C ATOM 1488 CG GLU A 92 5.503 3.055 11.021 1.00 74.34 C ATOM 1489 CD GLU A 92 6.726 2.825 11.888 1.00 5.34 C ATOM 1490 OE1 GLU A 92 6.836 1.719 12.472 1.00 30.22 O ATOM 1491 OE2 GLU A 92 7.601 3.723 11.971 1.00 3.12 O ATOM 0 H GLU A 92 5.654 1.835 7.293 1.00 73.51 H new ATOM 0 HA GLU A 92 3.841 1.272 9.457 1.00 44.31 H new ATOM 0 HB2 GLU A 92 6.224 1.422 9.821 1.00 22.23 H new ATOM 0 HB3 GLU A 92 6.316 2.983 9.031 1.00 22.23 H new ATOM 0 HG2 GLU A 92 5.347 4.123 10.873 1.00 74.34 H new ATOM 0 HG3 GLU A 92 4.614 2.669 11.520 1.00 74.34 H new ATOM 1498 N ASN A 93 2.423 3.269 9.792 1.00 32.34 N ATOM 1499 CA ASN A 93 1.308 4.209 9.879 1.00 32.22 C ATOM 1500 C ASN A 93 1.761 5.668 9.790 1.00 41.32 C ATOM 1501 O ASN A 93 1.185 6.420 9.018 1.00 53.43 O ATOM 1502 CB ASN A 93 0.504 3.916 11.166 1.00 2.31 C ATOM 1503 CG ASN A 93 -0.044 5.173 11.831 1.00 41.00 C ATOM 1504 OD1 ASN A 93 0.615 5.726 12.703 1.00 5.05 O ATOM 1505 ND2 ASN A 93 -1.219 5.640 11.442 1.00 73.40 N ATOM 0 H ASN A 93 2.342 2.533 10.493 1.00 32.34 H new ATOM 0 HA ASN A 93 0.658 4.064 9.016 1.00 32.22 H new ATOM 0 HB2 ASN A 93 -0.324 3.250 10.925 1.00 2.31 H new ATOM 0 HB3 ASN A 93 1.143 3.388 11.873 1.00 2.31 H new ATOM 0 HD21 ASN A 93 -1.600 6.483 11.871 1.00 73.40 H new ATOM 0 HD22 ASN A 93 -1.744 5.157 10.713 1.00 73.40 H new ATOM 1512 N ALA A 94 2.800 6.060 10.529 1.00 3.21 N ATOM 1513 CA ALA A 94 3.407 7.392 10.568 1.00 24.53 C ATOM 1514 C ALA A 94 2.495 8.546 11.016 1.00 11.44 C ATOM 1515 O ALA A 94 3.034 9.544 11.498 1.00 54.41 O ATOM 1516 CB ALA A 94 4.082 7.713 9.227 1.00 32.34 C ATOM 0 H ALA A 94 3.272 5.411 11.159 1.00 3.21 H new ATOM 0 HA ALA A 94 4.149 7.327 11.364 1.00 24.53 H new ATOM 0 HB1 ALA A 94 4.528 8.706 9.273 1.00 32.34 H new ATOM 0 HB2 ALA A 94 4.859 6.975 9.025 1.00 32.34 H new ATOM 0 HB3 ALA A 94 3.339 7.685 8.430 1.00 32.34 H new ATOM 1522 N SER A 95 1.167 8.470 10.893 1.00 22.12 N ATOM 1523 CA SER A 95 0.251 9.422 11.504 1.00 25.55 C ATOM 1524 C SER A 95 -0.866 8.682 12.235 1.00 52.32 C ATOM 1525 O SER A 95 -1.916 8.411 11.648 1.00 11.13 O ATOM 1526 CB SER A 95 -0.252 10.453 10.507 1.00 2.34 C ATOM 1527 OG SER A 95 -1.080 11.391 11.168 1.00 22.45 O ATOM 0 H SER A 95 0.699 7.737 10.360 1.00 22.12 H new ATOM 0 HA SER A 95 0.794 9.999 12.252 1.00 25.55 H new ATOM 0 HB2 SER A 95 0.591 10.963 10.040 1.00 2.34 H new ATOM 0 HB3 SER A 95 -0.808 9.961 9.709 1.00 2.34 H new ATOM 0 HG SER A 95 -1.330 12.104 10.544 1.00 22.45 H new ATOM 1533 N PRO A 96 -0.693 8.304 13.514 1.00 62.40 N ATOM 1534 CA PRO A 96 -1.786 7.740 14.304 1.00 25.22 C ATOM 1535 C PRO A 96 -2.975 8.714 14.445 1.00 74.24 C ATOM 1536 O PRO A 96 -3.991 8.359 15.051 1.00 13.01 O ATOM 1537 CB PRO A 96 -1.153 7.345 15.642 1.00 3.22 C ATOM 1538 CG PRO A 96 0.027 8.304 15.786 1.00 74.20 C ATOM 1539 CD PRO A 96 0.481 8.533 14.345 1.00 11.24 C ATOM 0 HA PRO A 96 -2.233 6.872 13.819 1.00 25.22 H new ATOM 0 HB2 PRO A 96 -1.859 7.453 16.466 1.00 3.22 H new ATOM 0 HB3 PRO A 96 -0.825 6.306 15.638 1.00 3.22 H new ATOM 0 HG2 PRO A 96 -0.270 9.236 16.266 1.00 74.20 H new ATOM 0 HG3 PRO A 96 0.823 7.873 16.393 1.00 74.20 H new ATOM 0 HD2 PRO A 96 0.862 9.546 14.212 1.00 11.24 H new ATOM 0 HD3 PRO A 96 1.288 7.851 14.077 1.00 11.24 H new ATOM 1547 N LYS A 97 -2.846 9.944 13.933 1.00 54.42 N ATOM 1548 CA LYS A 97 -3.873 10.968 13.852 1.00 74.44 C ATOM 1549 C LYS A 97 -4.646 10.841 12.534 1.00 65.42 C ATOM 1550 O LYS A 97 -5.877 10.837 12.574 1.00 70.53 O ATOM 1551 CB LYS A 97 -3.237 12.369 13.975 1.00 34.21 C ATOM 1552 CG LYS A 97 -2.143 12.454 15.053 1.00 25.41 C ATOM 1553 CD LYS A 97 -1.665 13.891 15.293 1.00 63.31 C ATOM 1554 CE LYS A 97 -0.528 13.833 16.318 1.00 73.34 C ATOM 1555 NZ LYS A 97 -0.034 15.161 16.715 1.00 14.22 N ATOM 0 H LYS A 97 -1.960 10.263 13.541 1.00 54.42 H new ATOM 0 HA LYS A 97 -4.573 10.832 14.676 1.00 74.44 H new ATOM 0 HB2 LYS A 97 -2.810 12.651 13.013 1.00 34.21 H new ATOM 0 HB3 LYS A 97 -4.018 13.095 14.203 1.00 34.21 H new ATOM 0 HG2 LYS A 97 -2.525 12.041 15.987 1.00 25.41 H new ATOM 0 HG3 LYS A 97 -1.295 11.838 14.755 1.00 25.41 H new ATOM 0 HD2 LYS A 97 -1.319 14.341 14.362 1.00 63.31 H new ATOM 0 HD3 LYS A 97 -2.483 14.510 15.662 1.00 63.31 H new ATOM 0 HE2 LYS A 97 -0.874 13.302 17.205 1.00 73.34 H new ATOM 0 HE3 LYS A 97 0.298 13.255 15.902 1.00 73.34 H new ATOM 0 HZ1 LYS A 97 0.733 15.053 17.409 1.00 14.22 H new ATOM 0 HZ2 LYS A 97 0.325 15.663 15.878 1.00 14.22 H new ATOM 0 HZ3 LYS A 97 -0.810 15.708 17.139 1.00 14.22 H new ATOM 1569 N ASP A 98 -3.965 10.740 11.381 1.00 52.11 N ATOM 1570 CA ASP A 98 -4.612 10.855 10.062 1.00 31.41 C ATOM 1571 C ASP A 98 -5.486 9.630 9.774 1.00 61.41 C ATOM 1572 O ASP A 98 -6.510 9.779 9.106 1.00 31.53 O ATOM 1573 CB ASP A 98 -3.622 11.054 8.899 1.00 12.34 C ATOM 1574 CG ASP A 98 -3.132 12.495 8.683 1.00 32.42 C ATOM 1575 OD1 ASP A 98 -2.089 12.854 9.287 1.00 42.41 O ATOM 1576 OD2 ASP A 98 -3.734 13.222 7.858 1.00 52.21 O ATOM 0 H ASP A 98 -2.959 10.578 11.335 1.00 52.11 H new ATOM 0 HA ASP A 98 -5.226 11.754 10.120 1.00 31.41 H new ATOM 0 HB2 ASP A 98 -2.755 10.416 9.071 1.00 12.34 H new ATOM 0 HB3 ASP A 98 -4.095 10.708 7.980 1.00 12.34 H new ATOM 1581 N GLY A 99 -5.142 8.453 10.314 1.00 71.41 N ATOM 1582 CA GLY A 99 -5.955 7.240 10.236 1.00 73.33 C ATOM 1583 C GLY A 99 -5.370 6.258 9.224 1.00 45.24 C ATOM 1584 O GLY A 99 -5.808 6.228 8.071 1.00 22.52 O ATOM 0 H GLY A 99 -4.271 8.319 10.828 1.00 71.41 H new ATOM 0 HA2 GLY A 99 -6.008 6.769 11.218 1.00 73.33 H new ATOM 0 HA3 GLY A 99 -6.975 7.498 9.951 1.00 73.33 H new ATOM 1588 N ASN A 100 -4.338 5.495 9.603 1.00 34.21 N ATOM 1589 CA ASN A 100 -3.576 4.610 8.716 1.00 45.44 C ATOM 1590 C ASN A 100 -3.338 3.262 9.414 1.00 33.11 C ATOM 1591 O ASN A 100 -3.790 3.083 10.547 1.00 24.51 O ATOM 1592 CB ASN A 100 -2.259 5.282 8.272 1.00 3.22 C ATOM 1593 CG ASN A 100 -2.323 6.803 8.118 1.00 63.54 C ATOM 1594 OD1 ASN A 100 -3.211 7.292 7.273 1.00 22.52 O flip ATOM 1595 ND2 ASN A 100 -1.625 7.552 8.785 1.00 51.41 N flip ATOM 0 H ASN A 100 -4.000 5.476 10.565 1.00 34.21 H new ATOM 0 HA ASN A 100 -4.150 4.420 7.809 1.00 45.44 H new ATOM 0 HB2 ASN A 100 -1.483 5.039 8.998 1.00 3.22 H new ATOM 0 HB3 ASN A 100 -1.952 4.849 7.320 1.00 3.22 H new ATOM 0 HD21 ASN A 100 -0.941 7.167 9.436 1.00 51.41 H new ATOM 0 HD22 ASN A 100 -1.727 8.563 8.691 1.00 51.41 H new ATOM 1602 N SER A 101 -2.657 2.298 8.781 1.00 13.25 N ATOM 1603 CA SER A 101 -2.510 0.945 9.321 1.00 64.44 C ATOM 1604 C SER A 101 -1.074 0.436 9.199 1.00 62.22 C ATOM 1605 O SER A 101 -0.452 0.649 8.158 1.00 11.32 O ATOM 1606 CB SER A 101 -3.446 -0.010 8.577 1.00 34.54 C ATOM 1607 OG SER A 101 -4.814 0.348 8.684 1.00 24.51 O ATOM 0 H SER A 101 -2.194 2.436 7.882 1.00 13.25 H new ATOM 0 HA SER A 101 -2.768 0.982 10.379 1.00 64.44 H new ATOM 0 HB2 SER A 101 -3.166 -0.035 7.524 1.00 34.54 H new ATOM 0 HB3 SER A 101 -3.310 -1.019 8.967 1.00 34.54 H new ATOM 0 HG SER A 101 -5.361 -0.297 8.188 1.00 24.51 H new ATOM 1613 N ASP A 102 -0.609 -0.292 10.221 1.00 24.14 N ATOM 1614 CA ASP A 102 0.681 -0.982 10.315 1.00 74.54 C ATOM 1615 C ASP A 102 0.470 -2.481 10.043 1.00 52.32 C ATOM 1616 O ASP A 102 0.242 -3.269 10.965 1.00 2.04 O ATOM 1617 CB ASP A 102 1.325 -0.844 11.712 1.00 50.21 C ATOM 1618 CG ASP A 102 1.839 0.533 12.083 1.00 30.35 C ATOM 1619 OD1 ASP A 102 2.708 1.018 11.343 1.00 21.34 O ATOM 1620 OD2 ASP A 102 1.504 1.052 13.175 1.00 71.33 O ATOM 0 H ASP A 102 -1.166 -0.423 11.065 1.00 24.14 H new ATOM 0 HA ASP A 102 1.344 -0.524 9.582 1.00 74.54 H new ATOM 0 HB2 ASP A 102 0.591 -1.147 12.458 1.00 50.21 H new ATOM 0 HB3 ASP A 102 2.155 -1.548 11.777 1.00 50.21 H new ATOM 1625 N LYS A 103 0.542 -2.896 8.779 1.00 72.43 N ATOM 1626 CA LYS A 103 0.486 -4.301 8.340 1.00 4.01 C ATOM 1627 C LYS A 103 1.810 -4.670 7.665 1.00 11.22 C ATOM 1628 O LYS A 103 2.697 -3.821 7.578 1.00 11.42 O ATOM 1629 CB LYS A 103 -0.718 -4.525 7.411 1.00 62.43 C ATOM 1630 CG LYS A 103 -0.733 -3.570 6.205 1.00 52.34 C ATOM 1631 CD LYS A 103 -1.471 -2.248 6.508 1.00 20.51 C ATOM 1632 CE LYS A 103 -2.057 -1.534 5.285 1.00 64.44 C ATOM 1633 NZ LYS A 103 -1.195 -0.468 4.737 1.00 1.22 N ATOM 0 H LYS A 103 0.645 -2.245 8.001 1.00 72.43 H new ATOM 0 HA LYS A 103 0.348 -4.955 9.201 1.00 4.01 H new ATOM 0 HB2 LYS A 103 -0.706 -5.554 7.052 1.00 62.43 H new ATOM 0 HB3 LYS A 103 -1.638 -4.396 7.981 1.00 62.43 H new ATOM 0 HG2 LYS A 103 0.292 -3.350 5.907 1.00 52.34 H new ATOM 0 HG3 LYS A 103 -1.212 -4.064 5.360 1.00 52.34 H new ATOM 0 HD2 LYS A 103 -2.279 -2.454 7.210 1.00 20.51 H new ATOM 0 HD3 LYS A 103 -0.779 -1.570 7.008 1.00 20.51 H new ATOM 0 HE2 LYS A 103 -2.246 -2.271 4.504 1.00 64.44 H new ATOM 0 HE3 LYS A 103 -3.021 -1.103 5.557 1.00 64.44 H new ATOM 0 HZ1 LYS A 103 -1.702 0.033 3.979 1.00 1.22 H new ATOM 0 HZ2 LYS A 103 -0.950 0.203 5.493 1.00 1.22 H new ATOM 0 HZ3 LYS A 103 -0.325 -0.888 4.352 1.00 1.22 H new ATOM 1647 N ARG A 104 1.988 -5.904 7.175 1.00 51.04 N ATOM 1648 CA ARG A 104 3.220 -6.254 6.473 1.00 32.14 C ATOM 1649 C ARG A 104 2.912 -7.093 5.238 1.00 63.10 C ATOM 1650 O ARG A 104 2.908 -8.323 5.290 1.00 21.31 O ATOM 1651 CB ARG A 104 4.233 -6.952 7.410 1.00 31.45 C ATOM 1652 CG ARG A 104 4.843 -6.082 8.530 1.00 31.51 C ATOM 1653 CD ARG A 104 4.072 -6.044 9.856 1.00 52.12 C ATOM 1654 NE ARG A 104 4.136 -7.320 10.592 1.00 52.20 N ATOM 1655 CZ ARG A 104 3.317 -7.666 11.594 1.00 21.35 C ATOM 1656 NH1 ARG A 104 2.343 -6.852 11.980 1.00 60.12 N ATOM 1657 NH2 ARG A 104 3.454 -8.832 12.213 1.00 11.13 N ATOM 0 H ARG A 104 1.307 -6.660 7.251 1.00 51.04 H new ATOM 0 HA ARG A 104 3.693 -5.331 6.138 1.00 32.14 H new ATOM 0 HB2 ARG A 104 3.739 -7.807 7.872 1.00 31.45 H new ATOM 0 HB3 ARG A 104 5.047 -7.345 6.801 1.00 31.45 H new ATOM 0 HG2 ARG A 104 5.852 -6.441 8.731 1.00 31.51 H new ATOM 0 HG3 ARG A 104 4.936 -5.061 8.159 1.00 31.51 H new ATOM 0 HD2 ARG A 104 4.475 -5.248 10.482 1.00 52.12 H new ATOM 0 HD3 ARG A 104 3.029 -5.796 9.658 1.00 52.12 H new ATOM 0 HE ARG A 104 4.857 -7.988 10.318 1.00 52.20 H new ATOM 0 HH11 ARG A 104 2.213 -5.955 11.513 1.00 60.12 H new ATOM 0 HH12 ARG A 104 1.724 -7.124 12.744 1.00 60.12 H new ATOM 0 HH21 ARG A 104 4.190 -9.478 11.927 1.00 11.13 H new ATOM 0 HH22 ARG A 104 2.823 -9.082 12.974 1.00 11.13 H new ATOM 1671 N LEU A 105 2.616 -6.408 4.130 1.00 34.34 N ATOM 1672 CA LEU A 105 2.194 -7.019 2.874 1.00 34.35 C ATOM 1673 C LEU A 105 3.354 -7.863 2.370 1.00 13.31 C ATOM 1674 O LEU A 105 4.499 -7.405 2.375 1.00 12.12 O ATOM 1675 CB LEU A 105 1.785 -5.981 1.809 1.00 3.21 C ATOM 1676 CG LEU A 105 0.544 -5.117 2.106 1.00 33.32 C ATOM 1677 CD1 LEU A 105 0.726 -4.194 3.299 1.00 71.11 C ATOM 1678 CD2 LEU A 105 0.157 -4.278 0.884 1.00 3.23 C ATOM 0 H LEU A 105 2.665 -5.390 4.084 1.00 34.34 H new ATOM 0 HA LEU A 105 1.306 -7.625 3.056 1.00 34.35 H new ATOM 0 HB2 LEU A 105 2.631 -5.313 1.647 1.00 3.21 H new ATOM 0 HB3 LEU A 105 1.612 -6.509 0.872 1.00 3.21 H new ATOM 0 HG LEU A 105 -0.252 -5.821 2.349 1.00 33.32 H new ATOM 0 HD11 LEU A 105 -0.184 -3.615 3.453 1.00 71.11 H new ATOM 0 HD12 LEU A 105 0.933 -4.787 4.190 1.00 71.11 H new ATOM 0 HD13 LEU A 105 1.560 -3.517 3.112 1.00 71.11 H new ATOM 0 HD21 LEU A 105 -0.722 -3.677 1.119 1.00 3.23 H new ATOM 0 HD22 LEU A 105 0.985 -3.621 0.616 1.00 3.23 H new ATOM 0 HD23 LEU A 105 -0.068 -4.938 0.046 1.00 3.23 H new ATOM 1690 N GLU A 106 3.065 -9.064 1.879 1.00 51.33 N ATOM 1691 CA GLU A 106 4.113 -9.971 1.409 1.00 31.50 C ATOM 1692 C GLU A 106 3.750 -10.430 0.009 1.00 21.41 C ATOM 1693 O GLU A 106 3.281 -11.544 -0.216 1.00 64.43 O ATOM 1694 CB GLU A 106 4.401 -11.098 2.416 1.00 43.12 C ATOM 1695 CG GLU A 106 5.873 -11.550 2.374 1.00 41.14 C ATOM 1696 CD GLU A 106 6.249 -12.430 3.574 1.00 43.02 C ATOM 1697 OE1 GLU A 106 5.635 -13.509 3.770 1.00 1.43 O ATOM 1698 OE2 GLU A 106 7.145 -12.047 4.356 1.00 40.45 O ATOM 0 H GLU A 106 2.118 -9.433 1.795 1.00 51.33 H new ATOM 0 HA GLU A 106 5.070 -9.454 1.343 1.00 31.50 H new ATOM 0 HB2 GLU A 106 4.156 -10.757 3.422 1.00 43.12 H new ATOM 0 HB3 GLU A 106 3.755 -11.949 2.202 1.00 43.12 H new ATOM 0 HG2 GLU A 106 6.055 -12.101 1.451 1.00 41.14 H new ATOM 0 HG3 GLU A 106 6.519 -10.673 2.354 1.00 41.14 H new ATOM 1705 N LYS A 107 3.930 -9.518 -0.945 1.00 0.42 N ATOM 1706 CA LYS A 107 3.559 -9.711 -2.334 1.00 63.13 C ATOM 1707 C LYS A 107 2.087 -10.052 -2.470 1.00 62.53 C ATOM 1708 O LYS A 107 1.301 -9.693 -1.601 1.00 54.21 O ATOM 1709 CB LYS A 107 4.548 -10.696 -2.983 1.00 23.40 C ATOM 1710 CG LYS A 107 4.926 -10.253 -4.403 1.00 23.30 C ATOM 1711 CD LYS A 107 5.872 -9.044 -4.394 1.00 72.25 C ATOM 1712 CE LYS A 107 5.384 -7.839 -5.217 1.00 74.33 C ATOM 1713 NZ LYS A 107 5.857 -7.888 -6.623 1.00 71.14 N ATOM 0 H LYS A 107 4.348 -8.606 -0.763 1.00 0.42 H new ATOM 0 HA LYS A 107 3.650 -8.784 -2.900 1.00 63.13 H new ATOM 0 HB2 LYS A 107 5.447 -10.768 -2.371 1.00 23.40 H new ATOM 0 HB3 LYS A 107 4.104 -11.691 -3.016 1.00 23.40 H new ATOM 0 HG2 LYS A 107 5.402 -11.082 -4.927 1.00 23.30 H new ATOM 0 HG3 LYS A 107 4.022 -10.002 -4.958 1.00 23.30 H new ATOM 0 HD2 LYS A 107 6.022 -8.725 -3.363 1.00 72.25 H new ATOM 0 HD3 LYS A 107 6.844 -9.358 -4.775 1.00 72.25 H new ATOM 0 HE2 LYS A 107 4.294 -7.810 -5.203 1.00 74.33 H new ATOM 0 HE3 LYS A 107 5.733 -6.918 -4.750 1.00 74.33 H new ATOM 0 HZ1 LYS A 107 6.460 -7.063 -6.815 1.00 71.14 H new ATOM 0 HZ2 LYS A 107 6.403 -8.760 -6.775 1.00 71.14 H new ATOM 0 HZ3 LYS A 107 5.039 -7.876 -7.265 1.00 71.14 H new ATOM 1727 N TYR A 108 1.666 -10.557 -3.621 1.00 31.32 N ATOM 1728 CA TYR A 108 0.290 -10.931 -3.885 1.00 33.42 C ATOM 1729 C TYR A 108 0.309 -12.254 -4.619 1.00 0.30 C ATOM 1730 O TYR A 108 0.349 -12.299 -5.850 1.00 0.24 O ATOM 1731 CB TYR A 108 -0.405 -9.834 -4.674 1.00 55.23 C ATOM 1732 CG TYR A 108 -1.813 -10.145 -5.121 1.00 53.30 C ATOM 1733 CD1 TYR A 108 -2.857 -10.166 -4.186 1.00 20.44 C ATOM 1734 CD2 TYR A 108 -2.090 -10.352 -6.479 1.00 74.43 C ATOM 1735 CE1 TYR A 108 -4.180 -10.393 -4.593 1.00 63.24 C ATOM 1736 CE2 TYR A 108 -3.416 -10.506 -6.903 1.00 61.14 C ATOM 1737 CZ TYR A 108 -4.470 -10.531 -5.965 1.00 42.22 C ATOM 1738 OH TYR A 108 -5.755 -10.685 -6.380 1.00 73.43 O ATOM 0 H TYR A 108 2.288 -10.720 -4.413 1.00 31.32 H new ATOM 0 HA TYR A 108 -0.276 -11.049 -2.961 1.00 33.42 H new ATOM 0 HB2 TYR A 108 -0.428 -8.931 -4.064 1.00 55.23 H new ATOM 0 HB3 TYR A 108 0.196 -9.609 -5.555 1.00 55.23 H new ATOM 0 HD1 TYR A 108 -2.640 -10.006 -3.140 1.00 20.44 H new ATOM 0 HD2 TYR A 108 -1.284 -10.393 -7.196 1.00 74.43 H new ATOM 0 HE1 TYR A 108 -4.970 -10.461 -3.860 1.00 63.24 H new ATOM 0 HE2 TYR A 108 -3.634 -10.606 -7.956 1.00 61.14 H new ATOM 0 HH TYR A 108 -5.776 -10.765 -7.357 1.00 73.43 H new ATOM 1748 N ASN A 109 0.274 -13.319 -3.826 1.00 64.03 N ATOM 1749 CA ASN A 109 0.344 -14.708 -4.270 1.00 1.10 C ATOM 1750 C ASN A 109 1.477 -14.892 -5.291 1.00 23.13 C ATOM 1751 O ASN A 109 1.238 -15.201 -6.453 1.00 43.53 O ATOM 1752 CB ASN A 109 -1.052 -15.148 -4.740 1.00 34.10 C ATOM 1753 CG ASN A 109 -1.112 -16.503 -5.434 1.00 60.01 C ATOM 1754 OD1 ASN A 109 -1.630 -16.592 -6.547 1.00 60.24 O ATOM 1755 ND2 ASN A 109 -0.674 -17.577 -4.797 1.00 72.05 N ATOM 0 H ASN A 109 0.193 -13.235 -2.813 1.00 64.03 H new ATOM 0 HA ASN A 109 0.612 -15.377 -3.453 1.00 1.10 H new ATOM 0 HB2 ASN A 109 -1.717 -15.172 -3.876 1.00 34.10 H new ATOM 0 HB3 ASN A 109 -1.442 -14.392 -5.422 1.00 34.10 H new ATOM 0 HD21 ASN A 109 -0.763 -18.497 -5.228 1.00 72.05 H new ATOM 0 HD22 ASN A 109 -0.247 -17.485 -3.875 1.00 72.05 H new ATOM 1762 N ASP A 110 2.704 -14.699 -4.800 1.00 55.41 N ATOM 1763 CA ASP A 110 4.024 -14.947 -5.395 1.00 24.02 C ATOM 1764 C ASP A 110 4.443 -14.024 -6.541 1.00 63.05 C ATOM 1765 O ASP A 110 5.551 -13.461 -6.409 1.00 1.24 O ATOM 1766 CB ASP A 110 4.287 -16.441 -5.669 1.00 3.14 C ATOM 1767 CG ASP A 110 4.458 -16.819 -7.141 1.00 41.24 C ATOM 1768 OD1 ASP A 110 5.615 -16.830 -7.622 1.00 44.23 O ATOM 1769 OD2 ASP A 110 3.487 -17.300 -7.771 1.00 43.33 O ATOM 0 H ASP A 110 2.810 -14.318 -3.860 1.00 55.41 H new ATOM 0 HA ASP A 110 4.712 -14.648 -4.604 1.00 24.02 H new ATOM 0 HB2 ASP A 110 5.185 -16.739 -5.128 1.00 3.14 H new ATOM 0 HB3 ASP A 110 3.460 -17.019 -5.257 1.00 3.14 H new