USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=27 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 78 GLN : amide:sc= -0.0763 K(o=-0.076,f=-3.4!) USER MOD Set 1.2: A 95 SER OG : rot -150:sc= 0 USER MOD Set 2.1: A 34 ASN : amide:sc= -0.405! X(o=-0.35!,f=-0.019) USER MOD Set 2.2: A 38 THR OG1 : rot 3:sc= 0.0499 USER MOD Set 3.1: A 31 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 79 TYR OH : rot -1:sc= 0.0752 USER MOD Set 3.3: A 101 SER OG : rot -130:sc= 0.108 USER MOD Set 4.1: A 29 THR OG1 : rot -9:sc= 0.907 USER MOD Set 4.2: A 43 THR OG1 : rot -54:sc= 0.925 USER MOD Set 5.1: A 19 LYS NZ :NH3+ -133:sc= 0.101 (180deg=0) USER MOD Set 5.2: A 109 ASN : amide:sc= -0.856 K(o=-0.75,f=-1.3) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 1.14 K(o=1.1,f=-0.013) USER MOD Single : A 30 CYS SG : rot 46:sc= -0.0912 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 24:sc= 1.24 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 151:sc= 0.0775 USER MOD Single : A 60 SER OG : rot -120:sc= 0.155 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.6 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS :FLIP no HD1:sc= -0.628 F(o=-1.9,f=-0.63) USER MOD Single : A 75 CYS SG : rot -49:sc= 0.994 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS :FLIP no HD1:sc= -0.354 F(o=-1.1,f=-0.35) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.394 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl -130:sc= -0.2 (180deg=-0.474) USER MOD Single : A 90 LYS NZ :NH3+ 140:sc= 1.22 (180deg=0.591) USER MOD Single : A 93 ASN : amide:sc= -0.358 K(o=-0.36,f=-3.5!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -1.36 K(o=-1.4,f=-2.4) USER MOD Single : A 103 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.359) USER MOD Single : A 107 LYS NZ :NH3+ -174:sc= 0.729 (180deg=0.712) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N LYS A 6 16.568 -3.712 0.414 1.00 24.24 N ATOM 60 CA LYS A 6 16.868 -2.322 0.141 1.00 2.33 C ATOM 61 C LYS A 6 15.636 -1.664 -0.473 1.00 1.20 C ATOM 62 O LYS A 6 14.997 -2.249 -1.353 1.00 35.32 O ATOM 63 CB LYS A 6 18.119 -2.290 -0.743 1.00 34.32 C ATOM 64 CG LYS A 6 18.198 -1.032 -1.592 1.00 72.33 C ATOM 65 CD LYS A 6 19.607 -0.887 -2.150 1.00 0.31 C ATOM 66 CE LYS A 6 19.659 0.347 -3.037 1.00 51.04 C ATOM 67 NZ LYS A 6 21.034 0.661 -3.458 1.00 74.22 N ATOM 0 HA LYS A 6 17.093 -1.746 1.038 1.00 2.33 H new ATOM 0 HB2 LYS A 6 19.007 -2.356 -0.114 1.00 34.32 H new ATOM 0 HB3 LYS A 6 18.123 -3.165 -1.393 1.00 34.32 H new ATOM 0 HG2 LYS A 6 17.476 -1.084 -2.407 1.00 72.33 H new ATOM 0 HG3 LYS A 6 17.940 -0.159 -0.993 1.00 72.33 H new ATOM 0 HD2 LYS A 6 20.327 -0.798 -1.337 1.00 0.31 H new ATOM 0 HD3 LYS A 6 19.880 -1.774 -2.722 1.00 0.31 H new ATOM 0 HE2 LYS A 6 19.037 0.188 -3.918 1.00 51.04 H new ATOM 0 HE3 LYS A 6 19.240 1.198 -2.500 1.00 51.04 H new ATOM 0 HZ1 LYS A 6 21.027 1.508 -4.061 1.00 74.22 H new ATOM 0 HZ2 LYS A 6 21.622 0.838 -2.619 1.00 74.22 H new ATOM 0 HZ3 LYS A 6 21.425 -0.141 -3.992 1.00 74.22 H new ATOM 81 N VAL A 7 15.325 -0.461 0.008 1.00 70.32 N ATOM 82 CA VAL A 7 14.217 0.356 -0.448 1.00 54.33 C ATOM 83 C VAL A 7 14.476 0.763 -1.906 1.00 54.31 C ATOM 84 O VAL A 7 15.433 1.480 -2.212 1.00 42.23 O ATOM 85 CB VAL A 7 14.003 1.515 0.559 1.00 63.33 C ATOM 86 CG1 VAL A 7 15.078 2.608 0.536 1.00 2.03 C ATOM 87 CG2 VAL A 7 12.631 2.179 0.431 1.00 13.44 C ATOM 0 H VAL A 7 15.862 -0.018 0.754 1.00 70.32 H new ATOM 0 HA VAL A 7 13.268 -0.180 -0.465 1.00 54.33 H new ATOM 0 HB VAL A 7 14.077 1.003 1.518 1.00 63.33 H new ATOM 0 HG11 VAL A 7 14.837 3.371 1.276 1.00 2.03 H new ATOM 0 HG12 VAL A 7 16.048 2.169 0.770 1.00 2.03 H new ATOM 0 HG13 VAL A 7 15.115 3.061 -0.455 1.00 2.03 H new ATOM 0 HG21 VAL A 7 12.545 2.982 1.164 1.00 13.44 H new ATOM 0 HG22 VAL A 7 12.518 2.590 -0.572 1.00 13.44 H new ATOM 0 HG23 VAL A 7 11.851 1.439 0.610 1.00 13.44 H new ATOM 97 N GLU A 8 13.642 0.271 -2.818 1.00 43.01 N ATOM 98 CA GLU A 8 13.669 0.611 -4.231 1.00 35.40 C ATOM 99 C GLU A 8 12.309 1.179 -4.624 1.00 41.23 C ATOM 100 O GLU A 8 11.266 0.656 -4.226 1.00 61.34 O ATOM 101 CB GLU A 8 14.016 -0.651 -5.032 1.00 24.53 C ATOM 102 CG GLU A 8 15.496 -0.689 -5.407 1.00 64.53 C ATOM 103 CD GLU A 8 15.781 0.305 -6.532 1.00 53.01 C ATOM 104 OE1 GLU A 8 15.351 0.054 -7.681 1.00 60.43 O ATOM 105 OE2 GLU A 8 16.337 1.383 -6.219 1.00 23.30 O ATOM 0 H GLU A 8 12.907 -0.396 -2.583 1.00 43.01 H new ATOM 0 HA GLU A 8 14.425 1.367 -4.444 1.00 35.40 H new ATOM 0 HB2 GLU A 8 13.766 -1.535 -4.446 1.00 24.53 H new ATOM 0 HB3 GLU A 8 13.410 -0.687 -5.937 1.00 24.53 H new ATOM 0 HG2 GLU A 8 16.106 -0.448 -4.536 1.00 64.53 H new ATOM 0 HG3 GLU A 8 15.773 -1.695 -5.722 1.00 64.53 H new ATOM 112 N ILE A 9 12.306 2.274 -5.385 1.00 20.51 N ATOM 113 CA ILE A 9 11.117 2.886 -5.969 1.00 64.25 C ATOM 114 C ILE A 9 10.385 1.902 -6.892 1.00 54.05 C ATOM 115 O ILE A 9 9.218 1.618 -6.603 1.00 75.42 O ATOM 116 CB ILE A 9 11.493 4.257 -6.594 1.00 32.22 C ATOM 117 CG1 ILE A 9 11.563 5.347 -5.498 1.00 1.11 C ATOM 118 CG2 ILE A 9 10.580 4.724 -7.733 1.00 71.21 C ATOM 119 CD1 ILE A 9 10.201 5.761 -4.910 1.00 15.11 C ATOM 0 H ILE A 9 13.163 2.775 -5.619 1.00 20.51 H new ATOM 0 HA ILE A 9 10.378 3.112 -5.200 1.00 64.25 H new ATOM 0 HB ILE A 9 12.472 4.101 -7.048 1.00 32.22 H new ATOM 0 HG12 ILE A 9 12.198 4.988 -4.688 1.00 1.11 H new ATOM 0 HG13 ILE A 9 12.047 6.231 -5.915 1.00 1.11 H new ATOM 0 HG21 ILE A 9 10.924 5.690 -8.103 1.00 71.21 H new ATOM 0 HG22 ILE A 9 10.607 3.995 -8.543 1.00 71.21 H new ATOM 0 HG23 ILE A 9 9.559 4.820 -7.365 1.00 71.21 H new ATOM 0 HD11 ILE A 9 10.351 6.529 -4.151 1.00 15.11 H new ATOM 0 HD12 ILE A 9 9.567 6.155 -5.704 1.00 15.11 H new ATOM 0 HD13 ILE A 9 9.721 4.893 -4.459 1.00 15.11 H new ATOM 131 N PRO A 10 10.993 1.330 -7.950 1.00 42.43 N ATOM 132 CA PRO A 10 10.251 0.460 -8.855 1.00 40.31 C ATOM 133 C PRO A 10 9.805 -0.845 -8.185 1.00 2.41 C ATOM 134 O PRO A 10 8.874 -1.485 -8.680 1.00 31.23 O ATOM 135 CB PRO A 10 11.165 0.218 -10.055 1.00 71.44 C ATOM 136 CG PRO A 10 12.566 0.445 -9.497 1.00 24.30 C ATOM 137 CD PRO A 10 12.356 1.520 -8.432 1.00 52.11 C ATOM 0 HA PRO A 10 9.319 0.932 -9.166 1.00 40.31 H new ATOM 0 HB2 PRO A 10 11.050 -0.792 -10.448 1.00 71.44 H new ATOM 0 HB3 PRO A 10 10.943 0.905 -10.872 1.00 71.44 H new ATOM 0 HG2 PRO A 10 12.981 -0.468 -9.069 1.00 24.30 H new ATOM 0 HG3 PRO A 10 13.258 0.777 -10.271 1.00 24.30 H new ATOM 0 HD2 PRO A 10 13.077 1.415 -7.621 1.00 52.11 H new ATOM 0 HD3 PRO A 10 12.489 2.518 -8.850 1.00 52.11 H new ATOM 145 N GLN A 11 10.403 -1.236 -7.052 1.00 15.44 N ATOM 146 CA GLN A 11 9.955 -2.405 -6.308 1.00 0.10 C ATOM 147 C GLN A 11 8.589 -2.177 -5.659 1.00 73.22 C ATOM 148 O GLN A 11 7.928 -3.170 -5.369 1.00 42.23 O ATOM 149 CB GLN A 11 10.994 -2.862 -5.268 1.00 63.14 C ATOM 150 CG GLN A 11 11.872 -4.045 -5.709 1.00 73.33 C ATOM 151 CD GLN A 11 12.868 -3.681 -6.806 1.00 61.45 C ATOM 152 OE1 GLN A 11 12.491 -3.330 -7.918 1.00 32.20 O ATOM 153 NE2 GLN A 11 14.159 -3.766 -6.541 1.00 12.14 N ATOM 0 H GLN A 11 11.200 -0.754 -6.635 1.00 15.44 H new ATOM 0 HA GLN A 11 9.845 -3.211 -7.033 1.00 0.10 H new ATOM 0 HB2 GLN A 11 11.641 -2.018 -5.026 1.00 63.14 H new ATOM 0 HB3 GLN A 11 10.473 -3.137 -4.351 1.00 63.14 H new ATOM 0 HG2 GLN A 11 12.417 -4.426 -4.845 1.00 73.33 H new ATOM 0 HG3 GLN A 11 11.231 -4.852 -6.063 1.00 73.33 H new ATOM 0 HE21 GLN A 11 14.471 -4.058 -5.615 1.00 12.14 H new ATOM 0 HE22 GLN A 11 14.844 -3.539 -7.262 1.00 12.14 H new ATOM 162 N LEU A 12 8.109 -0.940 -5.460 1.00 31.41 N ATOM 163 CA LEU A 12 6.740 -0.732 -4.977 1.00 20.21 C ATOM 164 C LEU A 12 5.732 -1.215 -6.018 1.00 33.32 C ATOM 165 O LEU A 12 4.757 -1.863 -5.651 1.00 24.33 O ATOM 166 CB LEU A 12 6.473 0.752 -4.650 1.00 1.43 C ATOM 167 CG LEU A 12 5.008 1.065 -4.252 1.00 0.21 C ATOM 168 CD1 LEU A 12 4.599 0.352 -2.961 1.00 54.41 C ATOM 169 CD2 LEU A 12 4.764 2.563 -4.046 1.00 24.44 C ATOM 0 H LEU A 12 8.639 -0.084 -5.623 1.00 31.41 H new ATOM 0 HA LEU A 12 6.625 -1.310 -4.060 1.00 20.21 H new ATOM 0 HB2 LEU A 12 7.131 1.056 -3.836 1.00 1.43 H new ATOM 0 HB3 LEU A 12 6.738 1.356 -5.517 1.00 1.43 H new ATOM 0 HG LEU A 12 4.407 0.706 -5.088 1.00 0.21 H new ATOM 0 HD11 LEU A 12 3.565 0.600 -2.720 1.00 54.41 H new ATOM 0 HD12 LEU A 12 4.692 -0.726 -3.095 1.00 54.41 H new ATOM 0 HD13 LEU A 12 5.248 0.673 -2.147 1.00 54.41 H new ATOM 0 HD21 LEU A 12 3.723 2.727 -3.769 1.00 24.44 H new ATOM 0 HD22 LEU A 12 5.413 2.932 -3.252 1.00 24.44 H new ATOM 0 HD23 LEU A 12 4.982 3.098 -4.971 1.00 24.44 H new ATOM 181 N VAL A 13 5.971 -0.916 -7.296 1.00 62.13 N ATOM 182 CA VAL A 13 4.994 -0.906 -8.388 1.00 61.13 C ATOM 183 C VAL A 13 4.257 -2.250 -8.582 1.00 1.33 C ATOM 184 O VAL A 13 3.194 -2.282 -9.205 1.00 32.30 O ATOM 185 CB VAL A 13 5.730 -0.455 -9.678 1.00 73.23 C ATOM 186 CG1 VAL A 13 4.780 -0.320 -10.872 1.00 35.20 C ATOM 187 CG2 VAL A 13 6.459 0.897 -9.540 1.00 73.24 C ATOM 0 H VAL A 13 6.905 -0.660 -7.616 1.00 62.13 H new ATOM 0 HA VAL A 13 4.199 -0.204 -8.135 1.00 61.13 H new ATOM 0 HB VAL A 13 6.460 -1.247 -9.844 1.00 73.23 H new ATOM 0 HG11 VAL A 13 5.342 -0.002 -11.750 1.00 35.20 H new ATOM 0 HG12 VAL A 13 4.308 -1.282 -11.072 1.00 35.20 H new ATOM 0 HG13 VAL A 13 4.013 0.420 -10.645 1.00 35.20 H new ATOM 0 HG21 VAL A 13 6.949 1.144 -10.482 1.00 73.24 H new ATOM 0 HG22 VAL A 13 5.738 1.675 -9.291 1.00 73.24 H new ATOM 0 HG23 VAL A 13 7.206 0.828 -8.749 1.00 73.24 H new ATOM 197 N GLY A 14 4.792 -3.359 -8.064 1.00 72.52 N ATOM 198 CA GLY A 14 4.176 -4.679 -8.106 1.00 1.34 C ATOM 199 C GLY A 14 2.827 -4.762 -7.383 1.00 31.40 C ATOM 200 O GLY A 14 2.264 -3.789 -6.879 1.00 32.11 O ATOM 0 H GLY A 14 5.695 -3.358 -7.590 1.00 72.52 H new ATOM 0 HA2 GLY A 14 4.037 -4.971 -9.147 1.00 1.34 H new ATOM 0 HA3 GLY A 14 4.860 -5.402 -7.661 1.00 1.34 H new ATOM 204 N LYS A 15 2.300 -5.984 -7.328 1.00 72.12 N ATOM 205 CA LYS A 15 1.048 -6.328 -6.660 1.00 64.13 C ATOM 206 C LYS A 15 1.366 -6.774 -5.238 1.00 20.31 C ATOM 207 O LYS A 15 2.349 -7.505 -5.036 1.00 75.52 O ATOM 208 CB LYS A 15 0.355 -7.454 -7.444 1.00 53.35 C ATOM 209 CG LYS A 15 -0.020 -7.041 -8.880 1.00 44.14 C ATOM 210 CD LYS A 15 0.440 -8.032 -9.958 1.00 61.14 C ATOM 211 CE LYS A 15 1.973 -8.126 -10.052 1.00 31.52 C ATOM 212 NZ LYS A 15 2.397 -8.845 -11.269 1.00 32.54 N ATOM 0 H LYS A 15 2.750 -6.790 -7.763 1.00 72.12 H new ATOM 0 HA LYS A 15 0.378 -5.469 -6.623 1.00 64.13 H new ATOM 0 HB2 LYS A 15 1.013 -8.322 -7.481 1.00 53.35 H new ATOM 0 HB3 LYS A 15 -0.546 -7.759 -6.912 1.00 53.35 H new ATOM 0 HG2 LYS A 15 -1.102 -6.929 -8.943 1.00 44.14 H new ATOM 0 HG3 LYS A 15 0.415 -6.064 -9.091 1.00 44.14 H new ATOM 0 HD2 LYS A 15 0.031 -9.018 -9.739 1.00 61.14 H new ATOM 0 HD3 LYS A 15 0.037 -7.727 -10.924 1.00 61.14 H new ATOM 0 HE2 LYS A 15 2.401 -7.123 -10.053 1.00 31.52 H new ATOM 0 HE3 LYS A 15 2.362 -8.638 -9.172 1.00 31.52 H new ATOM 0 HZ1 LYS A 15 3.436 -8.890 -11.301 1.00 32.54 H new ATOM 0 HZ2 LYS A 15 2.008 -9.810 -11.255 1.00 32.54 H new ATOM 0 HZ3 LYS A 15 2.046 -8.342 -12.109 1.00 32.54 H new ATOM 226 N TRP A 16 0.538 -6.397 -4.265 1.00 43.34 N ATOM 227 CA TRP A 16 0.789 -6.640 -2.850 1.00 13.30 C ATOM 228 C TRP A 16 -0.517 -6.956 -2.126 1.00 40.24 C ATOM 229 O TRP A 16 -1.482 -6.199 -2.219 1.00 51.12 O ATOM 230 CB TRP A 16 1.433 -5.400 -2.230 1.00 40.01 C ATOM 231 CG TRP A 16 2.795 -5.031 -2.710 1.00 74.35 C ATOM 232 CD1 TRP A 16 3.060 -4.303 -3.813 1.00 61.24 C ATOM 233 CD2 TRP A 16 4.090 -5.353 -2.128 1.00 64.42 C ATOM 234 NE1 TRP A 16 4.405 -4.058 -3.900 1.00 2.04 N ATOM 235 CE2 TRP A 16 5.100 -4.739 -2.926 1.00 71.54 C ATOM 236 CE3 TRP A 16 4.516 -6.106 -1.013 1.00 21.32 C ATOM 237 CZ2 TRP A 16 6.463 -4.890 -2.653 1.00 15.30 C ATOM 238 CZ3 TRP A 16 5.887 -6.292 -0.749 1.00 40.23 C ATOM 239 CH2 TRP A 16 6.859 -5.682 -1.566 1.00 53.35 C ATOM 0 H TRP A 16 -0.339 -5.907 -4.443 1.00 43.34 H new ATOM 0 HA TRP A 16 1.460 -7.493 -2.749 1.00 13.30 H new ATOM 0 HB2 TRP A 16 0.771 -4.552 -2.405 1.00 40.01 H new ATOM 0 HB3 TRP A 16 1.483 -5.548 -1.151 1.00 40.01 H new ATOM 0 HD1 TRP A 16 2.321 -3.963 -4.523 1.00 61.24 H new ATOM 0 HE1 TRP A 16 4.836 -3.450 -4.596 1.00 2.04 H new ATOM 0 HE3 TRP A 16 3.782 -6.545 -0.354 1.00 21.32 H new ATOM 0 HZ2 TRP A 16 7.202 -4.402 -3.272 1.00 15.30 H new ATOM 0 HZ3 TRP A 16 6.195 -6.906 0.085 1.00 40.23 H new ATOM 0 HH2 TRP A 16 7.909 -5.824 -1.355 1.00 53.35 H new ATOM 250 N ILE A 17 -0.566 -8.051 -1.369 1.00 15.12 N ATOM 251 CA ILE A 17 -1.738 -8.410 -0.585 1.00 14.51 C ATOM 252 C ILE A 17 -1.572 -7.822 0.817 1.00 61.21 C ATOM 253 O ILE A 17 -0.445 -7.747 1.317 1.00 31.24 O ATOM 254 CB ILE A 17 -1.917 -9.945 -0.585 1.00 73.24 C ATOM 255 CG1 ILE A 17 -3.398 -10.302 -0.352 1.00 34.02 C ATOM 256 CG2 ILE A 17 -0.985 -10.663 0.407 1.00 33.10 C ATOM 257 CD1 ILE A 17 -3.784 -11.654 -0.947 1.00 74.02 C ATOM 0 H ILE A 17 0.207 -8.711 -1.285 1.00 15.12 H new ATOM 0 HA ILE A 17 -2.650 -7.997 -1.017 1.00 14.51 H new ATOM 0 HB ILE A 17 -1.621 -10.310 -1.569 1.00 73.24 H new ATOM 0 HG12 ILE A 17 -3.600 -10.311 0.719 1.00 34.02 H new ATOM 0 HG13 ILE A 17 -4.027 -9.526 -0.788 1.00 34.02 H new ATOM 0 HG21 ILE A 17 -1.160 -11.738 0.358 1.00 33.10 H new ATOM 0 HG22 ILE A 17 0.053 -10.453 0.149 1.00 33.10 H new ATOM 0 HG23 ILE A 17 -1.187 -10.308 1.418 1.00 33.10 H new ATOM 0 HD11 ILE A 17 -4.838 -11.850 -0.751 1.00 74.02 H new ATOM 0 HD12 ILE A 17 -3.611 -11.641 -2.023 1.00 74.02 H new ATOM 0 HD13 ILE A 17 -3.178 -12.438 -0.492 1.00 74.02 H new ATOM 269 N VAL A 18 -2.672 -7.476 1.489 1.00 20.02 N ATOM 270 CA VAL A 18 -2.614 -6.959 2.867 1.00 10.33 C ATOM 271 C VAL A 18 -2.935 -8.039 3.915 1.00 34.13 C ATOM 272 O VAL A 18 -3.258 -7.744 5.065 1.00 22.42 O ATOM 273 CB VAL A 18 -3.441 -5.664 2.983 1.00 42.32 C ATOM 274 CG1 VAL A 18 -4.930 -5.864 3.268 1.00 25.44 C ATOM 275 CG2 VAL A 18 -2.803 -4.718 4.000 1.00 13.10 C ATOM 0 H VAL A 18 -3.615 -7.543 1.106 1.00 20.02 H new ATOM 0 HA VAL A 18 -1.587 -6.681 3.102 1.00 10.33 H new ATOM 0 HB VAL A 18 -3.416 -5.214 1.991 1.00 42.32 H new ATOM 0 HG11 VAL A 18 -5.422 -4.893 3.331 1.00 25.44 H new ATOM 0 HG12 VAL A 18 -5.379 -6.447 2.464 1.00 25.44 H new ATOM 0 HG13 VAL A 18 -5.052 -6.394 4.212 1.00 25.44 H new ATOM 0 HG21 VAL A 18 -3.397 -3.807 4.072 1.00 13.10 H new ATOM 0 HG22 VAL A 18 -2.764 -5.204 4.975 1.00 13.10 H new ATOM 0 HG23 VAL A 18 -1.792 -4.467 3.679 1.00 13.10 H new ATOM 285 N LYS A 19 -2.830 -9.310 3.527 1.00 22.10 N ATOM 286 CA LYS A 19 -3.199 -10.465 4.365 1.00 52.55 C ATOM 287 C LYS A 19 -2.161 -10.761 5.453 1.00 72.23 C ATOM 288 O LYS A 19 -2.079 -11.881 5.937 1.00 62.22 O ATOM 289 CB LYS A 19 -3.578 -11.711 3.526 1.00 61.02 C ATOM 290 CG LYS A 19 -2.400 -12.531 2.956 1.00 55.22 C ATOM 291 CD LYS A 19 -2.348 -13.981 3.471 1.00 11.21 C ATOM 292 CE LYS A 19 -0.990 -14.592 3.117 1.00 2.11 C ATOM 293 NZ LYS A 19 -0.899 -16.028 3.448 1.00 54.55 N ATOM 0 H LYS A 19 -2.481 -9.577 2.607 1.00 22.10 H new ATOM 0 HA LYS A 19 -4.107 -10.181 4.897 1.00 52.55 H new ATOM 0 HB2 LYS A 19 -4.186 -12.370 4.146 1.00 61.02 H new ATOM 0 HB3 LYS A 19 -4.204 -11.387 2.695 1.00 61.02 H new ATOM 0 HG2 LYS A 19 -2.470 -12.544 1.868 1.00 55.22 H new ATOM 0 HG3 LYS A 19 -1.465 -12.031 3.209 1.00 55.22 H new ATOM 0 HD2 LYS A 19 -2.499 -14.002 4.550 1.00 11.21 H new ATOM 0 HD3 LYS A 19 -3.151 -14.567 3.025 1.00 11.21 H new ATOM 0 HE2 LYS A 19 -0.804 -14.458 2.051 1.00 2.11 H new ATOM 0 HE3 LYS A 19 -0.206 -14.052 3.648 1.00 2.11 H new ATOM 0 HZ1 LYS A 19 -0.006 -16.213 3.947 1.00 54.55 H new ATOM 0 HZ2 LYS A 19 -1.698 -16.295 4.058 1.00 54.55 H new ATOM 0 HZ3 LYS A 19 -0.929 -16.589 2.573 1.00 54.55 H new ATOM 307 N GLU A 20 -1.321 -9.800 5.811 1.00 65.45 N ATOM 308 CA GLU A 20 -0.260 -9.966 6.782 1.00 23.10 C ATOM 309 C GLU A 20 -0.274 -8.732 7.692 1.00 64.04 C ATOM 310 O GLU A 20 -0.001 -7.627 7.214 1.00 3.14 O ATOM 311 CB GLU A 20 1.074 -10.148 6.055 1.00 12.13 C ATOM 312 CG GLU A 20 1.470 -11.622 5.880 1.00 34.11 C ATOM 313 CD GLU A 20 2.207 -12.183 7.101 1.00 64.43 C ATOM 314 OE1 GLU A 20 3.157 -11.528 7.596 1.00 14.13 O ATOM 315 OE2 GLU A 20 1.893 -13.312 7.533 1.00 32.33 O ATOM 0 H GLU A 20 -1.364 -8.859 5.420 1.00 65.45 H new ATOM 0 HA GLU A 20 -0.404 -10.855 7.396 1.00 23.10 H new ATOM 0 HB2 GLU A 20 1.014 -9.676 5.075 1.00 12.13 H new ATOM 0 HB3 GLU A 20 1.857 -9.631 6.610 1.00 12.13 H new ATOM 0 HG2 GLU A 20 0.574 -12.216 5.696 1.00 34.11 H new ATOM 0 HG3 GLU A 20 2.105 -11.722 5.000 1.00 34.11 H new ATOM 322 N PRO A 21 -0.618 -8.887 8.982 1.00 23.20 N ATOM 323 CA PRO A 21 -1.360 -10.021 9.537 1.00 30.00 C ATOM 324 C PRO A 21 -2.704 -10.205 8.815 1.00 23.14 C ATOM 325 O PRO A 21 -3.255 -9.228 8.295 1.00 3.23 O ATOM 326 CB PRO A 21 -1.588 -9.677 11.009 1.00 32.12 C ATOM 327 CG PRO A 21 -0.545 -8.613 11.323 1.00 11.33 C ATOM 328 CD PRO A 21 -0.378 -7.882 9.997 1.00 34.21 C ATOM 0 HA PRO A 21 -0.811 -10.955 9.416 1.00 30.00 H new ATOM 0 HB2 PRO A 21 -2.598 -9.303 11.176 1.00 32.12 H new ATOM 0 HB3 PRO A 21 -1.463 -10.554 11.645 1.00 32.12 H new ATOM 0 HG2 PRO A 21 -0.881 -7.941 12.113 1.00 11.33 H new ATOM 0 HG3 PRO A 21 0.393 -9.056 11.659 1.00 11.33 H new ATOM 0 HD2 PRO A 21 -1.084 -7.056 9.910 1.00 34.21 H new ATOM 0 HD3 PRO A 21 0.622 -7.457 9.904 1.00 34.21 H new ATOM 336 N VAL A 22 -3.259 -11.420 8.809 1.00 54.41 N ATOM 337 CA VAL A 22 -4.601 -11.646 8.263 1.00 52.15 C ATOM 338 C VAL A 22 -5.599 -10.927 9.183 1.00 53.41 C ATOM 339 O VAL A 22 -5.295 -10.607 10.337 1.00 51.52 O ATOM 340 CB VAL A 22 -4.934 -13.156 8.098 1.00 61.13 C ATOM 341 CG1 VAL A 22 -6.130 -13.418 7.166 1.00 54.10 C ATOM 342 CG2 VAL A 22 -3.783 -13.986 7.512 1.00 21.14 C ATOM 0 H VAL A 22 -2.804 -12.257 9.173 1.00 54.41 H new ATOM 0 HA VAL A 22 -4.661 -11.239 7.254 1.00 52.15 H new ATOM 0 HB VAL A 22 -5.151 -13.458 9.123 1.00 61.13 H new ATOM 0 HG11 VAL A 22 -6.308 -14.491 7.095 1.00 54.10 H new ATOM 0 HG12 VAL A 22 -7.018 -12.929 7.567 1.00 54.10 H new ATOM 0 HG13 VAL A 22 -5.913 -13.020 6.175 1.00 54.10 H new ATOM 0 HG21 VAL A 22 -4.092 -15.028 7.428 1.00 21.14 H new ATOM 0 HG22 VAL A 22 -3.524 -13.603 6.525 1.00 21.14 H new ATOM 0 HG23 VAL A 22 -2.914 -13.917 8.167 1.00 21.14 H new ATOM 352 N LEU A 23 -6.800 -10.682 8.673 1.00 53.23 N ATOM 353 CA LEU A 23 -7.912 -10.073 9.388 1.00 1.33 C ATOM 354 C LEU A 23 -9.045 -11.089 9.493 1.00 25.32 C ATOM 355 O LEU A 23 -8.979 -12.183 8.916 1.00 65.01 O ATOM 356 CB LEU A 23 -8.376 -8.811 8.639 1.00 30.14 C ATOM 357 CG LEU A 23 -7.328 -7.686 8.569 1.00 42.22 C ATOM 358 CD1 LEU A 23 -7.859 -6.519 7.731 1.00 73.01 C ATOM 359 CD2 LEU A 23 -6.968 -7.179 9.966 1.00 41.32 C ATOM 0 H LEU A 23 -7.034 -10.913 7.708 1.00 53.23 H new ATOM 0 HA LEU A 23 -7.603 -9.781 10.392 1.00 1.33 H new ATOM 0 HB2 LEU A 23 -8.659 -9.090 7.624 1.00 30.14 H new ATOM 0 HB3 LEU A 23 -9.272 -8.425 9.125 1.00 30.14 H new ATOM 0 HG LEU A 23 -6.432 -8.096 8.103 1.00 42.22 H new ATOM 0 HD11 LEU A 23 -7.108 -5.730 7.689 1.00 73.01 H new ATOM 0 HD12 LEU A 23 -8.077 -6.866 6.721 1.00 73.01 H new ATOM 0 HD13 LEU A 23 -8.770 -6.130 8.186 1.00 73.01 H new ATOM 0 HD21 LEU A 23 -6.226 -6.385 9.885 1.00 41.32 H new ATOM 0 HD22 LEU A 23 -7.862 -6.791 10.454 1.00 41.32 H new ATOM 0 HD23 LEU A 23 -6.559 -7.999 10.556 1.00 41.32 H new ATOM 371 N GLN A 24 -10.089 -10.746 10.237 1.00 13.15 N ATOM 372 CA GLN A 24 -11.325 -11.512 10.269 1.00 53.30 C ATOM 373 C GLN A 24 -12.289 -11.028 9.183 1.00 1.43 C ATOM 374 O GLN A 24 -11.900 -10.217 8.342 1.00 70.32 O ATOM 375 CB GLN A 24 -11.926 -11.513 11.667 1.00 33.15 C ATOM 376 CG GLN A 24 -12.424 -10.158 12.149 1.00 50.24 C ATOM 377 CD GLN A 24 -13.500 -10.373 13.206 1.00 4.25 C ATOM 378 OE1 GLN A 24 -13.283 -11.080 14.194 1.00 24.13 O ATOM 379 NE2 GLN A 24 -14.689 -9.848 13.004 1.00 32.43 N ATOM 0 H GLN A 24 -10.100 -9.922 10.839 1.00 13.15 H new ATOM 0 HA GLN A 24 -11.108 -12.555 10.037 1.00 53.30 H new ATOM 0 HB2 GLN A 24 -12.757 -12.219 11.690 1.00 33.15 H new ATOM 0 HB3 GLN A 24 -11.177 -11.880 12.369 1.00 33.15 H new ATOM 0 HG2 GLN A 24 -11.599 -9.579 12.564 1.00 50.24 H new ATOM 0 HG3 GLN A 24 -12.826 -9.585 11.313 1.00 50.24 H new ATOM 0 HE21 GLN A 24 -14.857 -9.265 12.184 1.00 32.43 H new ATOM 0 HE22 GLN A 24 -15.443 -10.024 13.668 1.00 32.43 H new ATOM 388 N ASP A 25 -13.536 -11.524 9.205 1.00 71.23 N ATOM 389 CA ASP A 25 -14.654 -11.104 8.338 1.00 50.33 C ATOM 390 C ASP A 25 -14.337 -11.276 6.845 1.00 70.13 C ATOM 391 O ASP A 25 -15.052 -10.766 5.986 1.00 23.05 O ATOM 392 CB ASP A 25 -15.085 -9.660 8.670 1.00 41.21 C ATOM 393 CG ASP A 25 -16.050 -9.533 9.846 1.00 50.50 C ATOM 394 OD1 ASP A 25 -17.091 -10.229 9.858 1.00 41.43 O ATOM 395 OD2 ASP A 25 -15.791 -8.702 10.746 1.00 14.21 O ATOM 0 H ASP A 25 -13.807 -12.261 9.855 1.00 71.23 H new ATOM 0 HA ASP A 25 -15.495 -11.766 8.546 1.00 50.33 H new ATOM 0 HB2 ASP A 25 -14.194 -9.070 8.885 1.00 41.21 H new ATOM 0 HB3 ASP A 25 -15.551 -9.223 7.787 1.00 41.21 H new ATOM 400 N ASP A 26 -13.258 -11.993 6.534 1.00 63.44 N ATOM 401 CA ASP A 26 -12.671 -12.200 5.213 1.00 44.13 C ATOM 402 C ASP A 26 -12.111 -10.905 4.609 1.00 73.11 C ATOM 403 O ASP A 26 -11.942 -10.838 3.394 1.00 31.12 O ATOM 404 CB ASP A 26 -13.625 -12.939 4.250 1.00 71.40 C ATOM 405 CG ASP A 26 -14.119 -14.281 4.787 1.00 63.04 C ATOM 406 OD1 ASP A 26 -13.350 -15.012 5.435 1.00 74.01 O ATOM 407 OD2 ASP A 26 -15.305 -14.623 4.539 1.00 51.22 O ATOM 0 H ASP A 26 -12.731 -12.482 7.257 1.00 63.44 H new ATOM 0 HA ASP A 26 -11.817 -12.861 5.360 1.00 44.13 H new ATOM 0 HB2 ASP A 26 -14.485 -12.301 4.043 1.00 71.40 H new ATOM 0 HB3 ASP A 26 -13.114 -13.103 3.301 1.00 71.40 H new ATOM 412 N PHE A 27 -11.805 -9.868 5.402 1.00 45.30 N ATOM 413 CA PHE A 27 -11.146 -8.664 4.910 1.00 53.21 C ATOM 414 C PHE A 27 -9.781 -9.029 4.340 1.00 23.02 C ATOM 415 O PHE A 27 -8.863 -9.381 5.082 1.00 64.02 O ATOM 416 CB PHE A 27 -10.971 -7.600 6.004 1.00 13.42 C ATOM 417 CG PHE A 27 -12.238 -6.893 6.414 1.00 21.21 C ATOM 418 CD1 PHE A 27 -12.856 -6.019 5.507 1.00 32.05 C ATOM 419 CD2 PHE A 27 -12.806 -7.107 7.681 1.00 21.01 C ATOM 420 CE1 PHE A 27 -14.092 -5.438 5.822 1.00 13.34 C ATOM 421 CE2 PHE A 27 -14.037 -6.515 8.005 1.00 53.11 C ATOM 422 CZ PHE A 27 -14.693 -5.719 7.055 1.00 51.31 C ATOM 0 H PHE A 27 -12.010 -9.847 6.401 1.00 45.30 H new ATOM 0 HA PHE A 27 -11.785 -8.237 4.137 1.00 53.21 H new ATOM 0 HB2 PHE A 27 -10.536 -8.074 6.884 1.00 13.42 H new ATOM 0 HB3 PHE A 27 -10.254 -6.856 5.655 1.00 13.42 H new ATOM 0 HD1 PHE A 27 -12.379 -5.794 4.565 1.00 32.05 H new ATOM 0 HD2 PHE A 27 -12.296 -7.726 8.405 1.00 21.01 H new ATOM 0 HE1 PHE A 27 -14.578 -4.778 5.118 1.00 13.34 H new ATOM 0 HE2 PHE A 27 -14.476 -6.672 8.979 1.00 53.11 H new ATOM 0 HZ PHE A 27 -15.671 -5.319 7.277 1.00 51.31 H new ATOM 432 N VAL A 28 -9.636 -8.889 3.030 1.00 14.54 N ATOM 433 CA VAL A 28 -8.360 -8.900 2.321 1.00 34.31 C ATOM 434 C VAL A 28 -8.336 -7.702 1.364 1.00 0.41 C ATOM 435 O VAL A 28 -9.327 -6.966 1.279 1.00 31.12 O ATOM 436 CB VAL A 28 -8.115 -10.263 1.631 1.00 43.33 C ATOM 437 CG1 VAL A 28 -7.780 -11.358 2.654 1.00 40.54 C ATOM 438 CG2 VAL A 28 -9.292 -10.732 0.769 1.00 14.51 C ATOM 0 H VAL A 28 -10.433 -8.760 2.406 1.00 14.54 H new ATOM 0 HA VAL A 28 -7.527 -8.790 3.016 1.00 34.31 H new ATOM 0 HB VAL A 28 -7.264 -10.097 0.970 1.00 43.33 H new ATOM 0 HG11 VAL A 28 -7.614 -12.302 2.135 1.00 40.54 H new ATOM 0 HG12 VAL A 28 -6.879 -11.081 3.201 1.00 40.54 H new ATOM 0 HG13 VAL A 28 -8.609 -11.469 3.353 1.00 40.54 H new ATOM 0 HG21 VAL A 28 -9.051 -11.694 0.316 1.00 14.51 H new ATOM 0 HG22 VAL A 28 -10.180 -10.837 1.392 1.00 14.51 H new ATOM 0 HG23 VAL A 28 -9.483 -9.999 -0.015 1.00 14.51 H new ATOM 448 N THR A 29 -7.190 -7.453 0.721 1.00 15.51 N ATOM 449 CA THR A 29 -7.002 -6.404 -0.272 1.00 75.10 C ATOM 450 C THR A 29 -5.816 -6.772 -1.150 1.00 71.14 C ATOM 451 O THR A 29 -4.814 -7.269 -0.629 1.00 42.42 O ATOM 452 CB THR A 29 -6.632 -5.079 0.410 1.00 11.34 C ATOM 453 OG1 THR A 29 -7.524 -4.731 1.441 1.00 65.00 O ATOM 454 CG2 THR A 29 -6.518 -3.928 -0.585 1.00 31.34 C ATOM 0 H THR A 29 -6.343 -7.997 0.887 1.00 15.51 H new ATOM 0 HA THR A 29 -7.926 -6.301 -0.841 1.00 75.10 H new ATOM 0 HB THR A 29 -5.652 -5.249 0.855 1.00 11.34 H new ATOM 0 HG1 THR A 29 -8.297 -5.333 1.422 1.00 65.00 H new ATOM 0 HG21 THR A 29 -6.255 -3.013 -0.054 1.00 31.34 H new ATOM 0 HG22 THR A 29 -5.745 -4.157 -1.319 1.00 31.34 H new ATOM 0 HG23 THR A 29 -7.472 -3.791 -1.093 1.00 31.34 H new ATOM 462 N CYS A 30 -5.876 -6.400 -2.428 1.00 52.44 N ATOM 463 CA CYS A 30 -4.781 -6.415 -3.383 1.00 15.32 C ATOM 464 C CYS A 30 -4.369 -4.965 -3.698 1.00 20.11 C ATOM 465 O CYS A 30 -4.863 -4.361 -4.653 1.00 61.33 O ATOM 466 CB CYS A 30 -5.246 -7.181 -4.635 1.00 63.23 C ATOM 467 SG CYS A 30 -6.821 -6.539 -5.281 1.00 33.45 S ATOM 0 H CYS A 30 -6.744 -6.061 -2.844 1.00 52.44 H new ATOM 0 HA CYS A 30 -3.903 -6.921 -2.981 1.00 15.32 H new ATOM 0 HB2 CYS A 30 -4.481 -7.110 -5.408 1.00 63.23 H new ATOM 0 HB3 CYS A 30 -5.357 -8.238 -4.393 1.00 63.23 H new ATOM 0 HG CYS A 30 -6.779 -5.240 -5.316 1.00 33.45 H new ATOM 473 N TYR A 31 -3.502 -4.362 -2.883 1.00 40.14 N ATOM 474 CA TYR A 31 -2.939 -3.055 -3.212 1.00 20.10 C ATOM 475 C TYR A 31 -2.087 -3.227 -4.473 1.00 0.01 C ATOM 476 O TYR A 31 -1.209 -4.097 -4.513 1.00 15.43 O ATOM 477 CB TYR A 31 -2.076 -2.506 -2.066 1.00 75.33 C ATOM 478 CG TYR A 31 -2.830 -1.875 -0.906 1.00 54.43 C ATOM 479 CD1 TYR A 31 -3.308 -2.658 0.162 1.00 1.11 C ATOM 480 CD2 TYR A 31 -3.025 -0.480 -0.878 1.00 62.45 C ATOM 481 CE1 TYR A 31 -4.008 -2.057 1.227 1.00 43.42 C ATOM 482 CE2 TYR A 31 -3.706 0.129 0.191 1.00 73.45 C ATOM 483 CZ TYR A 31 -4.233 -0.659 1.237 1.00 1.11 C ATOM 484 OH TYR A 31 -4.931 -0.096 2.265 1.00 65.25 O ATOM 0 H TYR A 31 -3.178 -4.754 -1.999 1.00 40.14 H new ATOM 0 HA TYR A 31 -3.745 -2.340 -3.375 1.00 20.10 H new ATOM 0 HB2 TYR A 31 -1.465 -3.320 -1.676 1.00 75.33 H new ATOM 0 HB3 TYR A 31 -1.393 -1.763 -2.476 1.00 75.33 H new ATOM 0 HD1 TYR A 31 -3.137 -3.724 0.165 1.00 1.11 H new ATOM 0 HD2 TYR A 31 -2.647 0.128 -1.686 1.00 62.45 H new ATOM 0 HE1 TYR A 31 -4.375 -2.666 2.040 1.00 43.42 H new ATOM 0 HE2 TYR A 31 -3.826 1.202 0.212 1.00 73.45 H new ATOM 0 HH TYR A 31 -4.998 0.872 2.124 1.00 65.25 H new ATOM 494 N THR A 32 -2.338 -2.422 -5.504 1.00 51.23 N ATOM 495 CA THR A 32 -1.565 -2.457 -6.739 1.00 60.22 C ATOM 496 C THR A 32 -1.284 -1.023 -7.171 1.00 20.33 C ATOM 497 O THR A 32 -2.220 -0.271 -7.434 1.00 32.21 O ATOM 498 CB THR A 32 -2.325 -3.235 -7.826 1.00 41.43 C ATOM 499 OG1 THR A 32 -2.833 -4.461 -7.327 1.00 2.10 O ATOM 500 CG2 THR A 32 -1.360 -3.535 -8.977 1.00 40.35 C ATOM 0 H THR A 32 -3.085 -1.727 -5.504 1.00 51.23 H new ATOM 0 HA THR A 32 -0.619 -2.974 -6.578 1.00 60.22 H new ATOM 0 HB THR A 32 -3.165 -2.627 -8.163 1.00 41.43 H new ATOM 0 HG1 THR A 32 -3.312 -4.931 -8.041 1.00 2.10 H new ATOM 0 HG21 THR A 32 -1.884 -4.087 -9.757 1.00 40.35 H new ATOM 0 HG22 THR A 32 -0.981 -2.599 -9.387 1.00 40.35 H new ATOM 0 HG23 THR A 32 -0.527 -4.133 -8.607 1.00 40.35 H new ATOM 508 N PHE A 33 -0.015 -0.626 -7.229 1.00 34.43 N ATOM 509 CA PHE A 33 0.385 0.733 -7.589 1.00 72.13 C ATOM 510 C PHE A 33 0.715 0.766 -9.092 1.00 60.12 C ATOM 511 O PHE A 33 0.474 -0.210 -9.812 1.00 41.03 O ATOM 512 CB PHE A 33 1.485 1.218 -6.620 1.00 52.22 C ATOM 513 CG PHE A 33 1.218 0.804 -5.181 1.00 20.34 C ATOM 514 CD1 PHE A 33 0.358 1.575 -4.377 1.00 72.22 C ATOM 515 CD2 PHE A 33 1.736 -0.408 -4.679 1.00 43.11 C ATOM 516 CE1 PHE A 33 0.017 1.137 -3.086 1.00 23.50 C ATOM 517 CE2 PHE A 33 1.413 -0.830 -3.379 1.00 52.24 C ATOM 518 CZ PHE A 33 0.567 -0.050 -2.575 1.00 35.20 C ATOM 0 H PHE A 33 0.771 -1.243 -7.026 1.00 34.43 H new ATOM 0 HA PHE A 33 -0.416 1.462 -7.463 1.00 72.13 H new ATOM 0 HB2 PHE A 33 2.447 0.816 -6.938 1.00 52.22 H new ATOM 0 HB3 PHE A 33 1.559 2.304 -6.674 1.00 52.22 H new ATOM 0 HD1 PHE A 33 -0.041 2.506 -4.753 1.00 72.22 H new ATOM 0 HD2 PHE A 33 2.383 -1.013 -5.296 1.00 43.11 H new ATOM 0 HE1 PHE A 33 -0.670 1.715 -2.485 1.00 23.50 H new ATOM 0 HE2 PHE A 33 1.816 -1.756 -2.997 1.00 52.24 H new ATOM 0 HZ PHE A 33 0.340 -0.362 -1.566 1.00 35.20 H new ATOM 528 N ASN A 34 1.156 1.905 -9.621 1.00 75.32 N ATOM 529 CA ASN A 34 1.527 2.123 -11.030 1.00 2.20 C ATOM 530 C ASN A 34 2.912 2.759 -11.060 1.00 55.43 C ATOM 531 O ASN A 34 3.465 3.013 -9.992 1.00 40.41 O ATOM 532 CB ASN A 34 0.502 3.014 -11.747 1.00 41.31 C ATOM 533 CG ASN A 34 -0.803 2.355 -12.182 1.00 40.34 C ATOM 534 OD1 ASN A 34 -1.460 2.883 -13.072 1.00 40.25 O ATOM 535 ND2 ASN A 34 -1.213 1.228 -11.625 1.00 43.04 N ATOM 0 H ASN A 34 1.272 2.747 -9.057 1.00 75.32 H new ATOM 0 HA ASN A 34 1.539 1.169 -11.558 1.00 2.20 H new ATOM 0 HB2 ASN A 34 0.258 3.847 -11.088 1.00 41.31 H new ATOM 0 HB3 ASN A 34 0.980 3.436 -12.631 1.00 41.31 H new ATOM 0 HD21 ASN A 34 -2.081 0.792 -11.935 1.00 43.04 H new ATOM 0 HD22 ASN A 34 -0.661 0.795 -10.885 1.00 43.04 H new ATOM 542 N ALA A 35 3.473 3.013 -12.250 1.00 64.31 N ATOM 543 CA ALA A 35 4.822 3.564 -12.358 1.00 11.21 C ATOM 544 C ALA A 35 4.928 4.881 -11.601 1.00 0.42 C ATOM 545 O ALA A 35 5.845 5.067 -10.805 1.00 64.51 O ATOM 546 CB ALA A 35 5.216 3.769 -13.826 1.00 55.43 C ATOM 0 H ALA A 35 3.013 2.845 -13.145 1.00 64.31 H new ATOM 0 HA ALA A 35 5.511 2.847 -11.912 1.00 11.21 H new ATOM 0 HB1 ALA A 35 6.224 4.180 -13.878 1.00 55.43 H new ATOM 0 HB2 ALA A 35 5.187 2.812 -14.348 1.00 55.43 H new ATOM 0 HB3 ALA A 35 4.518 4.461 -14.297 1.00 55.43 H new ATOM 552 N ASP A 36 3.961 5.759 -11.874 1.00 34.54 N ATOM 553 CA ASP A 36 3.803 7.120 -11.391 1.00 75.12 C ATOM 554 C ASP A 36 2.530 7.696 -12.027 1.00 13.30 C ATOM 555 O ASP A 36 2.529 8.724 -12.709 1.00 15.34 O ATOM 556 CB ASP A 36 5.064 7.968 -11.611 1.00 74.32 C ATOM 557 CG ASP A 36 5.415 8.307 -13.059 1.00 14.24 C ATOM 558 OD1 ASP A 36 5.745 7.412 -13.862 1.00 20.23 O ATOM 559 OD2 ASP A 36 5.416 9.521 -13.385 1.00 20.24 O ATOM 0 H ASP A 36 3.198 5.503 -12.501 1.00 34.54 H new ATOM 0 HA ASP A 36 3.680 7.131 -10.308 1.00 75.12 H new ATOM 0 HB2 ASP A 36 4.947 8.902 -11.061 1.00 74.32 H new ATOM 0 HB3 ASP A 36 5.910 7.442 -11.169 1.00 74.32 H new ATOM 564 N LYS A 37 1.417 6.971 -11.852 1.00 1.21 N ATOM 565 CA LYS A 37 0.121 7.286 -12.446 1.00 14.33 C ATOM 566 C LYS A 37 -0.999 7.199 -11.401 1.00 51.43 C ATOM 567 O LYS A 37 -1.503 8.232 -10.983 1.00 3.44 O ATOM 568 CB LYS A 37 -0.074 6.414 -13.705 1.00 3.20 C ATOM 569 CG LYS A 37 -1.485 6.383 -14.307 1.00 32.41 C ATOM 570 CD LYS A 37 -2.113 7.759 -14.534 1.00 33.51 C ATOM 571 CE LYS A 37 -1.500 8.453 -15.745 1.00 13.42 C ATOM 572 NZ LYS A 37 -2.216 9.692 -16.100 1.00 54.02 N ATOM 0 H LYS A 37 1.398 6.128 -11.278 1.00 1.21 H new ATOM 0 HA LYS A 37 0.082 8.322 -12.783 1.00 14.33 H new ATOM 0 HB2 LYS A 37 0.616 6.764 -14.472 1.00 3.20 H new ATOM 0 HB3 LYS A 37 0.214 5.392 -13.460 1.00 3.20 H new ATOM 0 HG2 LYS A 37 -1.447 5.854 -15.259 1.00 32.41 H new ATOM 0 HG3 LYS A 37 -2.134 5.807 -13.648 1.00 32.41 H new ATOM 0 HD2 LYS A 37 -3.188 7.651 -14.679 1.00 33.51 H new ATOM 0 HD3 LYS A 37 -1.971 8.377 -13.647 1.00 33.51 H new ATOM 0 HE2 LYS A 37 -0.456 8.686 -15.538 1.00 13.42 H new ATOM 0 HE3 LYS A 37 -1.512 7.772 -16.596 1.00 13.42 H new ATOM 0 HZ1 LYS A 37 -1.764 10.129 -16.928 1.00 54.02 H new ATOM 0 HZ2 LYS A 37 -3.207 9.468 -16.324 1.00 54.02 H new ATOM 0 HZ3 LYS A 37 -2.183 10.354 -15.298 1.00 54.02 H new ATOM 586 N THR A 38 -1.419 6.008 -10.990 1.00 40.34 N ATOM 587 CA THR A 38 -2.560 5.773 -10.107 1.00 75.33 C ATOM 588 C THR A 38 -2.242 4.564 -9.218 1.00 64.54 C ATOM 589 O THR A 38 -1.095 4.108 -9.163 1.00 2.41 O ATOM 590 CB THR A 38 -3.857 5.574 -10.932 1.00 31.43 C ATOM 591 OG1 THR A 38 -3.692 4.584 -11.922 1.00 1.23 O ATOM 592 CG2 THR A 38 -4.339 6.861 -11.600 1.00 20.23 C ATOM 0 H THR A 38 -0.957 5.144 -11.273 1.00 40.34 H new ATOM 0 HA THR A 38 -2.733 6.639 -9.469 1.00 75.33 H new ATOM 0 HB THR A 38 -4.613 5.256 -10.213 1.00 31.43 H new ATOM 0 HG1 THR A 38 -2.797 4.191 -11.846 1.00 1.23 H new ATOM 0 HG21 THR A 38 -5.250 6.659 -12.163 1.00 20.23 H new ATOM 0 HG22 THR A 38 -4.543 7.613 -10.837 1.00 20.23 H new ATOM 0 HG23 THR A 38 -3.568 7.230 -12.277 1.00 20.23 H new ATOM 600 N TYR A 39 -3.230 4.046 -8.493 1.00 23.41 N ATOM 601 CA TYR A 39 -3.180 2.753 -7.832 1.00 73.41 C ATOM 602 C TYR A 39 -4.588 2.128 -7.870 1.00 71.05 C ATOM 603 O TYR A 39 -5.520 2.741 -8.410 1.00 21.02 O ATOM 604 CB TYR A 39 -2.605 2.936 -6.416 1.00 2.01 C ATOM 605 CG TYR A 39 -3.587 3.369 -5.363 1.00 63.11 C ATOM 606 CD1 TYR A 39 -4.055 4.687 -5.387 1.00 43.12 C ATOM 607 CD2 TYR A 39 -3.969 2.494 -4.331 1.00 53.32 C ATOM 608 CE1 TYR A 39 -4.969 5.126 -4.423 1.00 32.31 C ATOM 609 CE2 TYR A 39 -4.851 2.947 -3.336 1.00 4.14 C ATOM 610 CZ TYR A 39 -5.403 4.245 -3.405 1.00 2.21 C ATOM 611 OH TYR A 39 -6.259 4.663 -2.434 1.00 53.34 O ATOM 0 H TYR A 39 -4.114 4.533 -8.347 1.00 23.41 H new ATOM 0 HA TYR A 39 -2.515 2.055 -8.341 1.00 73.41 H new ATOM 0 HB2 TYR A 39 -2.156 1.994 -6.102 1.00 2.01 H new ATOM 0 HB3 TYR A 39 -1.802 3.672 -6.462 1.00 2.01 H new ATOM 0 HD1 TYR A 39 -3.710 5.367 -6.152 1.00 43.12 H new ATOM 0 HD2 TYR A 39 -3.588 1.484 -4.304 1.00 53.32 H new ATOM 0 HE1 TYR A 39 -5.344 6.138 -4.456 1.00 32.31 H new ATOM 0 HE2 TYR A 39 -5.109 2.298 -2.512 1.00 4.14 H new ATOM 0 HH TYR A 39 -6.778 5.427 -2.762 1.00 53.34 H new ATOM 621 N GLU A 40 -4.747 0.924 -7.326 1.00 31.22 N ATOM 622 CA GLU A 40 -6.014 0.270 -7.024 1.00 41.22 C ATOM 623 C GLU A 40 -5.942 -0.254 -5.596 1.00 4.24 C ATOM 624 O GLU A 40 -4.866 -0.656 -5.133 1.00 53.32 O ATOM 625 CB GLU A 40 -6.285 -0.928 -7.948 1.00 54.21 C ATOM 626 CG GLU A 40 -6.801 -0.544 -9.337 1.00 12.24 C ATOM 627 CD GLU A 40 -7.520 -1.717 -10.017 1.00 15.51 C ATOM 628 OE1 GLU A 40 -8.561 -2.202 -9.512 1.00 51.22 O ATOM 629 OE2 GLU A 40 -7.073 -2.152 -11.105 1.00 3.24 O ATOM 0 H GLU A 40 -3.946 0.346 -7.070 1.00 31.22 H new ATOM 0 HA GLU A 40 -6.813 0.998 -7.164 1.00 41.22 H new ATOM 0 HB2 GLU A 40 -5.365 -1.502 -8.060 1.00 54.21 H new ATOM 0 HB3 GLU A 40 -7.013 -1.584 -7.470 1.00 54.21 H new ATOM 0 HG2 GLU A 40 -7.484 0.301 -9.251 1.00 12.24 H new ATOM 0 HG3 GLU A 40 -5.967 -0.218 -9.958 1.00 12.24 H new ATOM 636 N VAL A 41 -7.094 -0.300 -4.929 1.00 35.05 N ATOM 637 CA VAL A 41 -7.271 -0.912 -3.624 1.00 24.25 C ATOM 638 C VAL A 41 -8.747 -1.291 -3.458 1.00 15.33 C ATOM 639 O VAL A 41 -9.614 -0.764 -4.156 1.00 20.23 O ATOM 640 CB VAL A 41 -6.759 0.068 -2.550 1.00 23.30 C ATOM 641 CG1 VAL A 41 -7.615 1.320 -2.354 1.00 31.22 C ATOM 642 CG2 VAL A 41 -6.554 -0.622 -1.209 1.00 42.32 C ATOM 0 H VAL A 41 -7.955 0.103 -5.299 1.00 35.05 H new ATOM 0 HA VAL A 41 -6.694 -1.831 -3.518 1.00 24.25 H new ATOM 0 HB VAL A 41 -5.802 0.410 -2.945 1.00 23.30 H new ATOM 0 HG11 VAL A 41 -7.173 1.945 -1.579 1.00 31.22 H new ATOM 0 HG12 VAL A 41 -7.661 1.879 -3.289 1.00 31.22 H new ATOM 0 HG13 VAL A 41 -8.622 1.029 -2.055 1.00 31.22 H new ATOM 0 HG21 VAL A 41 -6.193 0.102 -0.479 1.00 42.32 H new ATOM 0 HG22 VAL A 41 -7.500 -1.041 -0.867 1.00 42.32 H new ATOM 0 HG23 VAL A 41 -5.822 -1.422 -1.320 1.00 42.32 H new ATOM 652 N TYR A 42 -9.061 -2.206 -2.541 1.00 24.05 N ATOM 653 CA TYR A 42 -10.407 -2.655 -2.251 1.00 72.23 C ATOM 654 C TYR A 42 -10.354 -3.428 -0.933 1.00 0.21 C ATOM 655 O TYR A 42 -9.440 -4.226 -0.742 1.00 1.13 O ATOM 656 CB TYR A 42 -10.824 -3.551 -3.417 1.00 44.14 C ATOM 657 CG TYR A 42 -12.041 -4.388 -3.163 1.00 2.14 C ATOM 658 CD1 TYR A 42 -11.887 -5.645 -2.556 1.00 35.11 C ATOM 659 CD2 TYR A 42 -13.310 -3.920 -3.544 1.00 55.20 C ATOM 660 CE1 TYR A 42 -13.003 -6.464 -2.394 1.00 0.21 C ATOM 661 CE2 TYR A 42 -14.444 -4.717 -3.327 1.00 20.44 C ATOM 662 CZ TYR A 42 -14.284 -6.007 -2.775 1.00 63.42 C ATOM 663 OH TYR A 42 -15.339 -6.851 -2.678 1.00 72.13 O ATOM 0 H TYR A 42 -8.356 -2.665 -1.965 1.00 24.05 H new ATOM 0 HA TYR A 42 -11.126 -1.842 -2.146 1.00 72.23 H new ATOM 0 HB2 TYR A 42 -11.007 -2.925 -4.290 1.00 44.14 H new ATOM 0 HB3 TYR A 42 -9.992 -4.210 -3.666 1.00 44.14 H new ATOM 0 HD1 TYR A 42 -10.915 -5.973 -2.219 1.00 35.11 H new ATOM 0 HD2 TYR A 42 -13.412 -2.948 -4.003 1.00 55.20 H new ATOM 0 HE1 TYR A 42 -12.888 -7.453 -1.975 1.00 0.21 H new ATOM 0 HE2 TYR A 42 -15.427 -4.348 -3.579 1.00 20.44 H new ATOM 0 HH TYR A 42 -16.153 -6.393 -2.975 1.00 72.13 H new ATOM 673 N THR A 43 -11.301 -3.223 -0.028 1.00 14.24 N ATOM 674 CA THR A 43 -11.306 -3.859 1.282 1.00 3.32 C ATOM 675 C THR A 43 -12.734 -4.227 1.644 1.00 52.50 C ATOM 676 O THR A 43 -13.621 -3.367 1.646 1.00 70.24 O ATOM 677 CB THR A 43 -10.675 -2.930 2.336 1.00 54.10 C ATOM 678 OG1 THR A 43 -9.346 -2.639 1.973 1.00 12.21 O ATOM 679 CG2 THR A 43 -10.647 -3.579 3.725 1.00 71.02 C ATOM 0 H THR A 43 -12.096 -2.604 -0.185 1.00 14.24 H new ATOM 0 HA THR A 43 -10.705 -4.768 1.256 1.00 3.32 H new ATOM 0 HB THR A 43 -11.284 -2.027 2.376 1.00 54.10 H new ATOM 0 HG1 THR A 43 -8.856 -3.475 1.828 1.00 12.21 H new ATOM 0 HG21 THR A 43 -10.194 -2.891 4.439 1.00 71.02 H new ATOM 0 HG22 THR A 43 -11.665 -3.810 4.039 1.00 71.02 H new ATOM 0 HG23 THR A 43 -10.062 -4.498 3.686 1.00 71.02 H new ATOM 687 N GLY A 44 -12.929 -5.493 2.006 1.00 12.42 N ATOM 688 CA GLY A 44 -14.203 -6.000 2.464 1.00 65.33 C ATOM 689 C GLY A 44 -15.005 -6.447 1.263 1.00 1.35 C ATOM 690 O GLY A 44 -15.542 -5.634 0.507 1.00 62.42 O ATOM 0 H GLY A 44 -12.192 -6.198 1.986 1.00 12.42 H new ATOM 0 HA2 GLY A 44 -14.054 -6.833 3.150 1.00 65.33 H new ATOM 0 HA3 GLY A 44 -14.742 -5.228 3.013 1.00 65.33 H new ATOM 786 N PRO A 52 -14.209 -1.272 -7.092 1.00 4.32 N ATOM 787 CA PRO A 52 -12.864 -1.094 -6.564 1.00 14.52 C ATOM 788 C PRO A 52 -12.595 0.399 -6.338 1.00 43.42 C ATOM 789 O PRO A 52 -13.187 1.266 -6.999 1.00 52.31 O ATOM 790 CB PRO A 52 -11.944 -1.725 -7.604 1.00 55.22 C ATOM 791 CG PRO A 52 -12.711 -1.556 -8.916 1.00 12.54 C ATOM 792 CD PRO A 52 -14.182 -1.587 -8.507 1.00 32.12 C ATOM 0 HA PRO A 52 -12.707 -1.567 -5.594 1.00 14.52 H new ATOM 0 HB2 PRO A 52 -10.976 -1.225 -7.639 1.00 55.22 H new ATOM 0 HB3 PRO A 52 -11.752 -2.775 -7.385 1.00 55.22 H new ATOM 0 HG2 PRO A 52 -12.455 -0.617 -9.407 1.00 12.54 H new ATOM 0 HG3 PRO A 52 -12.477 -2.356 -9.618 1.00 12.54 H new ATOM 0 HD2 PRO A 52 -14.762 -0.863 -9.079 1.00 32.12 H new ATOM 0 HD3 PRO A 52 -14.619 -2.567 -8.697 1.00 32.12 H new ATOM 800 N PHE A 53 -11.706 0.709 -5.395 1.00 75.34 N ATOM 801 CA PHE A 53 -11.194 2.053 -5.211 1.00 20.02 C ATOM 802 C PHE A 53 -9.961 2.193 -6.094 1.00 42.14 C ATOM 803 O PHE A 53 -9.245 1.232 -6.386 1.00 24.33 O ATOM 804 CB PHE A 53 -10.868 2.325 -3.734 1.00 75.30 C ATOM 805 CG PHE A 53 -11.075 3.762 -3.272 1.00 75.41 C ATOM 806 CD1 PHE A 53 -12.339 4.367 -3.421 1.00 75.12 C ATOM 807 CD2 PHE A 53 -10.040 4.480 -2.638 1.00 63.41 C ATOM 808 CE1 PHE A 53 -12.572 5.661 -2.926 1.00 20.33 C ATOM 809 CE2 PHE A 53 -10.279 5.768 -2.128 1.00 64.43 C ATOM 810 CZ PHE A 53 -11.551 6.349 -2.252 1.00 62.24 C ATOM 0 H PHE A 53 -11.324 0.028 -4.739 1.00 75.34 H new ATOM 0 HA PHE A 53 -11.944 2.791 -5.496 1.00 20.02 H new ATOM 0 HB2 PHE A 53 -11.484 1.671 -3.117 1.00 75.30 H new ATOM 0 HB3 PHE A 53 -9.829 2.049 -3.552 1.00 75.30 H new ATOM 0 HD1 PHE A 53 -13.134 3.832 -3.919 1.00 75.12 H new ATOM 0 HD2 PHE A 53 -9.059 4.038 -2.544 1.00 63.41 H new ATOM 0 HE1 PHE A 53 -13.537 6.126 -3.064 1.00 20.33 H new ATOM 0 HE2 PHE A 53 -9.483 6.311 -1.640 1.00 64.43 H new ATOM 0 HZ PHE A 53 -11.744 7.324 -1.829 1.00 62.24 H new ATOM 820 N ARG A 54 -9.728 3.415 -6.545 1.00 75.30 N ATOM 821 CA ARG A 54 -8.718 3.776 -7.518 1.00 42.30 C ATOM 822 C ARG A 54 -8.423 5.236 -7.234 1.00 75.33 C ATOM 823 O ARG A 54 -9.342 5.988 -6.883 1.00 34.31 O ATOM 824 CB ARG A 54 -9.224 3.518 -8.955 1.00 34.05 C ATOM 825 CG ARG A 54 -10.657 4.011 -9.229 1.00 14.21 C ATOM 826 CD ARG A 54 -11.184 3.526 -10.581 1.00 13.54 C ATOM 827 NE ARG A 54 -12.655 3.625 -10.631 1.00 55.14 N ATOM 828 CZ ARG A 54 -13.441 3.230 -11.639 1.00 41.33 C ATOM 829 NH1 ARG A 54 -12.919 2.728 -12.750 1.00 54.54 N ATOM 830 NH2 ARG A 54 -14.762 3.312 -11.536 1.00 22.15 N ATOM 0 H ARG A 54 -10.267 4.220 -6.224 1.00 75.30 H new ATOM 0 HA ARG A 54 -7.810 3.178 -7.441 1.00 42.30 H new ATOM 0 HB2 ARG A 54 -8.546 4.004 -9.657 1.00 34.05 H new ATOM 0 HB3 ARG A 54 -9.178 2.448 -9.156 1.00 34.05 H new ATOM 0 HG2 ARG A 54 -11.318 3.661 -8.436 1.00 14.21 H new ATOM 0 HG3 ARG A 54 -10.676 5.101 -9.203 1.00 14.21 H new ATOM 0 HD2 ARG A 54 -10.747 4.121 -11.383 1.00 13.54 H new ATOM 0 HD3 ARG A 54 -10.878 2.493 -10.747 1.00 13.54 H new ATOM 0 HE ARG A 54 -13.117 4.034 -9.819 1.00 55.14 H new ATOM 0 HH11 ARG A 54 -11.907 2.639 -12.843 1.00 54.54 H new ATOM 0 HH12 ARG A 54 -13.529 2.431 -13.511 1.00 54.54 H new ATOM 0 HH21 ARG A 54 -15.185 3.678 -10.683 1.00 22.15 H new ATOM 0 HH22 ARG A 54 -15.354 3.009 -12.309 1.00 22.15 H new ATOM 844 N GLY A 55 -7.157 5.611 -7.316 1.00 1.12 N ATOM 845 CA GLY A 55 -6.739 6.925 -6.887 1.00 13.33 C ATOM 846 C GLY A 55 -5.293 7.165 -7.197 1.00 52.14 C ATOM 847 O GLY A 55 -4.761 6.518 -8.099 1.00 15.41 O ATOM 0 H GLY A 55 -6.406 5.022 -7.676 1.00 1.12 H new ATOM 0 HA2 GLY A 55 -7.349 7.682 -7.380 1.00 13.33 H new ATOM 0 HA3 GLY A 55 -6.905 7.030 -5.815 1.00 13.33 H new ATOM 851 N THR A 56 -4.651 8.073 -6.453 1.00 61.02 N ATOM 852 CA THR A 56 -3.272 8.416 -6.757 1.00 40.51 C ATOM 853 C THR A 56 -2.440 8.180 -5.505 1.00 3.41 C ATOM 854 O THR A 56 -2.978 8.069 -4.397 1.00 53.53 O ATOM 855 CB THR A 56 -3.217 9.848 -7.320 1.00 3.34 C ATOM 856 OG1 THR A 56 -4.201 10.017 -8.325 1.00 31.24 O ATOM 857 CG2 THR A 56 -1.864 10.183 -7.956 1.00 3.03 C ATOM 0 H THR A 56 -5.057 8.568 -5.659 1.00 61.02 H new ATOM 0 HA THR A 56 -2.843 7.786 -7.536 1.00 40.51 H new ATOM 0 HB THR A 56 -3.388 10.510 -6.471 1.00 3.34 H new ATOM 0 HG1 THR A 56 -4.158 10.932 -8.674 1.00 31.24 H new ATOM 0 HG21 THR A 56 -1.883 11.205 -8.336 1.00 3.03 H new ATOM 0 HG22 THR A 56 -1.077 10.089 -7.208 1.00 3.03 H new ATOM 0 HG23 THR A 56 -1.668 9.494 -8.778 1.00 3.03 H new ATOM 865 N TYR A 57 -1.128 8.067 -5.697 1.00 13.10 N ATOM 866 CA TYR A 57 -0.157 8.036 -4.624 1.00 75.32 C ATOM 867 C TYR A 57 0.882 9.138 -4.893 1.00 74.23 C ATOM 868 O TYR A 57 1.135 9.492 -6.047 1.00 54.12 O ATOM 869 CB TYR A 57 0.417 6.611 -4.496 1.00 62.31 C ATOM 870 CG TYR A 57 1.458 6.269 -5.533 1.00 35.52 C ATOM 871 CD1 TYR A 57 2.791 6.642 -5.293 1.00 62.42 C ATOM 872 CD2 TYR A 57 1.101 5.624 -6.732 1.00 0.13 C ATOM 873 CE1 TYR A 57 3.764 6.417 -6.272 1.00 40.44 C ATOM 874 CE2 TYR A 57 2.082 5.377 -7.704 1.00 73.13 C ATOM 875 CZ TYR A 57 3.413 5.784 -7.476 1.00 33.51 C ATOM 876 OH TYR A 57 4.338 5.633 -8.445 1.00 53.45 O ATOM 0 H TYR A 57 -0.709 7.993 -6.624 1.00 13.10 H new ATOM 0 HA TYR A 57 -0.597 8.254 -3.651 1.00 75.32 H new ATOM 0 HB2 TYR A 57 0.856 6.496 -3.505 1.00 62.31 H new ATOM 0 HB3 TYR A 57 -0.401 5.894 -4.568 1.00 62.31 H new ATOM 0 HD1 TYR A 57 3.064 7.102 -4.354 1.00 62.42 H new ATOM 0 HD2 TYR A 57 0.078 5.321 -6.903 1.00 0.13 H new ATOM 0 HE1 TYR A 57 4.784 6.729 -6.103 1.00 40.44 H new ATOM 0 HE2 TYR A 57 1.819 4.877 -8.624 1.00 73.13 H new ATOM 0 HH TYR A 57 4.135 4.830 -8.968 1.00 53.45 H new ATOM 886 N ILE A 58 1.473 9.670 -3.833 1.00 63.32 N ATOM 887 CA ILE A 58 2.520 10.703 -3.789 1.00 71.31 C ATOM 888 C ILE A 58 3.657 10.142 -2.958 1.00 5.44 C ATOM 889 O ILE A 58 3.365 9.490 -1.965 1.00 13.02 O ATOM 890 CB ILE A 58 1.955 11.971 -3.093 1.00 71.41 C ATOM 891 CG1 ILE A 58 1.016 12.709 -4.072 1.00 23.21 C ATOM 892 CG2 ILE A 58 3.014 12.892 -2.446 1.00 53.23 C ATOM 893 CD1 ILE A 58 0.758 14.190 -3.730 1.00 63.34 C ATOM 0 H ILE A 58 1.215 9.369 -2.893 1.00 63.32 H new ATOM 0 HA ILE A 58 2.857 10.968 -4.791 1.00 71.31 H new ATOM 0 HB ILE A 58 1.381 11.636 -2.229 1.00 71.41 H new ATOM 0 HG12 ILE A 58 1.441 12.651 -5.074 1.00 23.21 H new ATOM 0 HG13 ILE A 58 0.060 12.186 -4.100 1.00 23.21 H new ATOM 0 HG21 ILE A 58 2.520 13.748 -1.987 1.00 53.23 H new ATOM 0 HG22 ILE A 58 3.562 12.337 -1.684 1.00 53.23 H new ATOM 0 HG23 ILE A 58 3.709 13.241 -3.210 1.00 53.23 H new ATOM 0 HD11 ILE A 58 0.088 14.624 -4.473 1.00 63.34 H new ATOM 0 HD12 ILE A 58 0.300 14.261 -2.743 1.00 63.34 H new ATOM 0 HD13 ILE A 58 1.703 14.734 -3.732 1.00 63.34 H new ATOM 905 N ILE A 59 4.911 10.487 -3.251 1.00 73.42 N ATOM 906 CA ILE A 59 6.072 10.200 -2.400 1.00 70.13 C ATOM 907 C ILE A 59 6.827 11.525 -2.179 1.00 50.35 C ATOM 908 O ILE A 59 6.584 12.527 -2.860 1.00 43.43 O ATOM 909 CB ILE A 59 6.943 9.049 -2.994 1.00 13.01 C ATOM 910 CG1 ILE A 59 6.076 7.826 -3.386 1.00 55.15 C ATOM 911 CG2 ILE A 59 8.040 8.589 -2.010 1.00 11.11 C ATOM 912 CD1 ILE A 59 6.817 6.656 -4.044 1.00 43.34 C ATOM 0 H ILE A 59 5.156 10.986 -4.106 1.00 73.42 H new ATOM 0 HA ILE A 59 5.765 9.821 -1.425 1.00 70.13 H new ATOM 0 HB ILE A 59 7.418 9.457 -3.886 1.00 13.01 H new ATOM 0 HG12 ILE A 59 5.579 7.456 -2.489 1.00 55.15 H new ATOM 0 HG13 ILE A 59 5.295 8.164 -4.067 1.00 55.15 H new ATOM 0 HG21 ILE A 59 8.623 7.787 -2.463 1.00 11.11 H new ATOM 0 HG22 ILE A 59 8.696 9.428 -1.779 1.00 11.11 H new ATOM 0 HG23 ILE A 59 7.577 8.227 -1.092 1.00 11.11 H new ATOM 0 HD11 ILE A 59 6.109 5.860 -4.273 1.00 43.34 H new ATOM 0 HD12 ILE A 59 7.290 6.997 -4.965 1.00 43.34 H new ATOM 0 HD13 ILE A 59 7.579 6.279 -3.362 1.00 43.34 H new ATOM 924 N SER A 60 7.703 11.562 -1.177 1.00 74.52 N ATOM 925 CA SER A 60 8.694 12.607 -0.964 1.00 74.33 C ATOM 926 C SER A 60 9.848 12.473 -1.974 1.00 53.25 C ATOM 927 O SER A 60 9.815 11.683 -2.913 1.00 23.30 O ATOM 928 CB SER A 60 9.150 12.527 0.501 1.00 34.13 C ATOM 929 OG SER A 60 10.041 13.569 0.889 1.00 63.32 O ATOM 0 H SER A 60 7.741 10.834 -0.464 1.00 74.52 H new ATOM 0 HA SER A 60 8.272 13.597 -1.139 1.00 74.33 H new ATOM 0 HB2 SER A 60 8.272 12.555 1.146 1.00 34.13 H new ATOM 0 HB3 SER A 60 9.637 11.566 0.667 1.00 34.13 H new ATOM 0 HG SER A 60 10.889 13.180 1.187 1.00 63.32 H new ATOM 935 N LEU A 61 10.868 13.301 -1.759 1.00 3.24 N ATOM 936 CA LEU A 61 12.126 13.374 -2.488 1.00 11.11 C ATOM 937 C LEU A 61 12.930 12.082 -2.339 1.00 12.02 C ATOM 938 O LEU A 61 13.568 11.657 -3.299 1.00 70.15 O ATOM 939 CB LEU A 61 12.944 14.565 -1.953 1.00 30.13 C ATOM 940 CG LEU A 61 12.175 15.898 -1.918 1.00 34.22 C ATOM 941 CD1 LEU A 61 13.031 16.994 -1.304 1.00 10.42 C ATOM 942 CD2 LEU A 61 11.715 16.316 -3.310 1.00 74.31 C ATOM 0 H LEU A 61 10.830 13.992 -1.010 1.00 3.24 H new ATOM 0 HA LEU A 61 11.910 13.511 -3.548 1.00 11.11 H new ATOM 0 HB2 LEU A 61 13.288 14.331 -0.945 1.00 30.13 H new ATOM 0 HB3 LEU A 61 13.832 14.688 -2.572 1.00 30.13 H new ATOM 0 HG LEU A 61 11.290 15.748 -1.299 1.00 34.22 H new ATOM 0 HD11 LEU A 61 12.470 17.928 -1.288 1.00 10.42 H new ATOM 0 HD12 LEU A 61 13.302 16.716 -0.285 1.00 10.42 H new ATOM 0 HD13 LEU A 61 13.936 17.124 -1.897 1.00 10.42 H new ATOM 0 HD21 LEU A 61 11.176 17.261 -3.246 1.00 74.31 H new ATOM 0 HD22 LEU A 61 12.582 16.436 -3.959 1.00 74.31 H new ATOM 0 HD23 LEU A 61 11.057 15.550 -3.721 1.00 74.31 H new ATOM 954 N ASP A 62 12.880 11.473 -1.150 1.00 43.15 N ATOM 955 CA ASP A 62 13.294 10.101 -0.897 1.00 70.23 C ATOM 956 C ASP A 62 12.058 9.417 -0.324 1.00 30.30 C ATOM 957 O ASP A 62 11.264 8.841 -1.058 1.00 65.13 O ATOM 958 CB ASP A 62 14.471 9.994 0.094 1.00 31.34 C ATOM 959 CG ASP A 62 15.836 10.380 -0.458 1.00 71.15 C ATOM 960 OD1 ASP A 62 16.330 9.714 -1.391 1.00 71.35 O ATOM 961 OD2 ASP A 62 16.447 11.300 0.137 1.00 12.14 O ATOM 0 H ASP A 62 12.537 11.943 -0.312 1.00 43.15 H new ATOM 0 HA ASP A 62 13.655 9.639 -1.816 1.00 70.23 H new ATOM 0 HB2 ASP A 62 14.256 10.627 0.955 1.00 31.34 H new ATOM 0 HB3 ASP A 62 14.524 8.968 0.458 1.00 31.34 H new ATOM 966 N GLU A 63 11.853 9.526 0.991 1.00 73.24 N ATOM 967 CA GLU A 63 11.102 8.577 1.767 1.00 44.44 C ATOM 968 C GLU A 63 10.419 9.283 2.959 1.00 4.42 C ATOM 969 O GLU A 63 9.856 8.623 3.830 1.00 73.14 O ATOM 970 CB GLU A 63 12.152 7.543 2.208 1.00 45.43 C ATOM 971 CG GLU A 63 11.522 6.244 2.677 1.00 32.43 C ATOM 972 CD GLU A 63 12.425 5.540 3.685 1.00 64.45 C ATOM 973 OE1 GLU A 63 12.469 6.002 4.851 1.00 71.34 O ATOM 974 OE2 GLU A 63 13.181 4.624 3.297 1.00 45.04 O ATOM 0 H GLU A 63 12.220 10.300 1.545 1.00 73.24 H new ATOM 0 HA GLU A 63 10.290 8.103 1.215 1.00 44.44 H new ATOM 0 HB2 GLU A 63 12.827 7.337 1.377 1.00 45.43 H new ATOM 0 HB3 GLU A 63 12.756 7.962 3.013 1.00 45.43 H new ATOM 0 HG2 GLU A 63 10.552 6.447 3.130 1.00 32.43 H new ATOM 0 HG3 GLU A 63 11.344 5.591 1.823 1.00 32.43 H new ATOM 981 N LYS A 64 10.466 10.627 3.048 1.00 12.03 N ATOM 982 CA LYS A 64 9.863 11.372 4.168 1.00 14.11 C ATOM 983 C LYS A 64 8.427 10.907 4.405 1.00 62.55 C ATOM 984 O LYS A 64 8.039 10.723 5.558 1.00 45.22 O ATOM 985 CB LYS A 64 9.902 12.894 3.932 1.00 4.00 C ATOM 986 CG LYS A 64 9.768 13.740 5.207 1.00 33.12 C ATOM 987 CD LYS A 64 9.456 15.207 4.862 1.00 21.14 C ATOM 988 CE LYS A 64 9.846 16.136 6.018 1.00 44.31 C ATOM 989 NZ LYS A 64 11.247 16.597 5.926 1.00 53.32 N ATOM 0 H LYS A 64 10.918 11.220 2.353 1.00 12.03 H new ATOM 0 HA LYS A 64 10.457 11.163 5.058 1.00 14.11 H new ATOM 0 HB2 LYS A 64 10.840 13.149 3.439 1.00 4.00 H new ATOM 0 HB3 LYS A 64 9.099 13.163 3.246 1.00 4.00 H new ATOM 0 HG2 LYS A 64 8.976 13.334 5.836 1.00 33.12 H new ATOM 0 HG3 LYS A 64 10.692 13.686 5.783 1.00 33.12 H new ATOM 0 HD2 LYS A 64 9.996 15.495 3.960 1.00 21.14 H new ATOM 0 HD3 LYS A 64 8.393 15.316 4.645 1.00 21.14 H new ATOM 0 HE2 LYS A 64 9.182 17.001 6.025 1.00 44.31 H new ATOM 0 HE3 LYS A 64 9.700 15.615 6.964 1.00 44.31 H new ATOM 0 HZ1 LYS A 64 11.460 17.221 6.730 1.00 53.32 H new ATOM 0 HZ2 LYS A 64 11.885 15.776 5.947 1.00 53.32 H new ATOM 0 HZ3 LYS A 64 11.383 17.119 5.037 1.00 53.32 H new ATOM 1003 N LEU A 65 7.653 10.702 3.328 1.00 24.54 N ATOM 1004 CA LEU A 65 6.387 9.993 3.395 1.00 24.52 C ATOM 1005 C LEU A 65 5.963 9.479 2.020 1.00 70.54 C ATOM 1006 O LEU A 65 6.563 9.870 1.015 1.00 14.43 O ATOM 1007 CB LEU A 65 5.316 10.940 3.967 1.00 11.11 C ATOM 1008 CG LEU A 65 4.122 10.228 4.631 1.00 5.42 C ATOM 1009 CD1 LEU A 65 4.512 9.020 5.483 1.00 52.41 C ATOM 1010 CD2 LEU A 65 3.422 11.186 5.579 1.00 14.41 C ATOM 0 H LEU A 65 7.896 11.027 2.392 1.00 24.54 H new ATOM 0 HA LEU A 65 6.502 9.126 4.045 1.00 24.52 H new ATOM 0 HB2 LEU A 65 5.784 11.597 4.700 1.00 11.11 H new ATOM 0 HB3 LEU A 65 4.943 11.574 3.163 1.00 11.11 H new ATOM 0 HG LEU A 65 3.495 9.894 3.804 1.00 5.42 H new ATOM 0 HD11 LEU A 65 3.616 8.575 5.915 1.00 52.41 H new ATOM 0 HD12 LEU A 65 5.019 8.283 4.859 1.00 52.41 H new ATOM 0 HD13 LEU A 65 5.180 9.339 6.283 1.00 52.41 H new ATOM 0 HD21 LEU A 65 2.577 10.681 6.048 1.00 14.41 H new ATOM 0 HD22 LEU A 65 4.122 11.513 6.348 1.00 14.41 H new ATOM 0 HD23 LEU A 65 3.064 12.052 5.022 1.00 14.41 H new ATOM 1022 N ILE A 66 4.889 8.684 1.979 1.00 21.20 N ATOM 1023 CA ILE A 66 4.082 8.362 0.802 1.00 1.40 C ATOM 1024 C ILE A 66 2.611 8.574 1.199 1.00 51.32 C ATOM 1025 O ILE A 66 2.229 8.214 2.318 1.00 61.14 O ATOM 1026 CB ILE A 66 4.397 6.931 0.280 1.00 14.43 C ATOM 1027 CG1 ILE A 66 3.502 6.470 -0.892 1.00 54.45 C ATOM 1028 CG2 ILE A 66 4.329 5.883 1.399 1.00 52.32 C ATOM 1029 CD1 ILE A 66 3.958 5.167 -1.550 1.00 65.34 C ATOM 0 H ILE A 66 4.540 8.221 2.818 1.00 21.20 H new ATOM 0 HA ILE A 66 4.316 9.013 -0.040 1.00 1.40 H new ATOM 0 HB ILE A 66 5.417 7.007 -0.098 1.00 14.43 H new ATOM 0 HG12 ILE A 66 2.482 6.344 -0.529 1.00 54.45 H new ATOM 0 HG13 ILE A 66 3.476 7.256 -1.647 1.00 54.45 H new ATOM 0 HG21 ILE A 66 4.556 4.899 0.990 1.00 52.32 H new ATOM 0 HG22 ILE A 66 5.055 6.130 2.173 1.00 52.32 H new ATOM 0 HG23 ILE A 66 3.328 5.875 1.830 1.00 52.32 H new ATOM 0 HD11 ILE A 66 3.278 4.912 -2.363 1.00 65.34 H new ATOM 0 HD12 ILE A 66 4.966 5.293 -1.946 1.00 65.34 H new ATOM 0 HD13 ILE A 66 3.956 4.366 -0.811 1.00 65.34 H new ATOM 1041 N LYS A 67 1.774 9.157 0.331 1.00 2.14 N ATOM 1042 CA LYS A 67 0.372 9.517 0.608 1.00 65.44 C ATOM 1043 C LYS A 67 -0.566 9.084 -0.504 1.00 72.13 C ATOM 1044 O LYS A 67 -0.123 8.979 -1.640 1.00 61.25 O ATOM 1045 CB LYS A 67 0.254 10.993 0.975 1.00 34.31 C ATOM 1046 CG LYS A 67 0.999 11.399 2.255 1.00 65.41 C ATOM 1047 CD LYS A 67 0.167 12.308 3.177 1.00 51.35 C ATOM 1048 CE LYS A 67 0.035 13.711 2.609 1.00 53.13 C ATOM 1049 NZ LYS A 67 -0.955 14.525 3.346 1.00 13.51 N ATOM 0 H LYS A 67 2.062 9.401 -0.617 1.00 2.14 H new ATOM 0 HA LYS A 67 0.043 8.954 1.482 1.00 65.44 H new ATOM 0 HB2 LYS A 67 0.633 11.591 0.146 1.00 34.31 H new ATOM 0 HB3 LYS A 67 -0.801 11.241 1.091 1.00 34.31 H new ATOM 0 HG2 LYS A 67 1.284 10.501 2.802 1.00 65.41 H new ATOM 0 HG3 LYS A 67 1.921 11.913 1.984 1.00 65.41 H new ATOM 0 HD2 LYS A 67 -0.824 11.877 3.316 1.00 51.35 H new ATOM 0 HD3 LYS A 67 0.635 12.356 4.160 1.00 51.35 H new ATOM 0 HE2 LYS A 67 1.005 14.206 2.642 1.00 53.13 H new ATOM 0 HE3 LYS A 67 -0.257 13.650 1.561 1.00 53.13 H new ATOM 0 HZ1 LYS A 67 -1.010 15.473 2.922 1.00 13.51 H new ATOM 0 HZ2 LYS A 67 -1.888 14.068 3.294 1.00 13.51 H new ATOM 0 HZ3 LYS A 67 -0.665 14.607 4.341 1.00 13.51 H new ATOM 1063 N LEU A 68 -1.836 8.814 -0.173 1.00 1.51 N ATOM 1064 CA LEU A 68 -2.717 7.897 -0.897 1.00 30.41 C ATOM 1065 C LEU A 68 -4.152 8.402 -0.945 1.00 2.42 C ATOM 1066 O LEU A 68 -4.659 8.805 0.098 1.00 14.12 O ATOM 1067 CB LEU A 68 -2.722 6.564 -0.122 1.00 4.14 C ATOM 1068 CG LEU A 68 -1.823 5.540 -0.815 1.00 64.43 C ATOM 1069 CD1 LEU A 68 -1.601 4.366 0.132 1.00 5.41 C ATOM 1070 CD2 LEU A 68 -2.541 5.059 -2.073 1.00 64.32 C ATOM 0 H LEU A 68 -2.290 9.244 0.633 1.00 1.51 H new ATOM 0 HA LEU A 68 -2.353 7.798 -1.920 1.00 30.41 H new ATOM 0 HB2 LEU A 68 -2.377 6.728 0.899 1.00 4.14 H new ATOM 0 HB3 LEU A 68 -3.739 6.178 -0.056 1.00 4.14 H new ATOM 0 HG LEU A 68 -0.860 5.978 -1.079 1.00 64.43 H new ATOM 0 HD11 LEU A 68 -0.961 3.627 -0.349 1.00 5.41 H new ATOM 0 HD12 LEU A 68 -1.123 4.721 1.045 1.00 5.41 H new ATOM 0 HD13 LEU A 68 -2.560 3.910 0.378 1.00 5.41 H new ATOM 0 HD21 LEU A 68 -1.920 4.326 -2.588 1.00 64.32 H new ATOM 0 HD22 LEU A 68 -3.491 4.601 -1.797 1.00 64.32 H new ATOM 0 HD23 LEU A 68 -2.725 5.906 -2.733 1.00 64.32 H new ATOM 1082 N TYR A 69 -4.793 8.405 -2.121 1.00 14.44 N ATOM 1083 CA TYR A 69 -6.091 9.054 -2.345 1.00 10.40 C ATOM 1084 C TYR A 69 -7.164 8.248 -3.042 1.00 1.40 C ATOM 1085 O TYR A 69 -7.042 7.045 -3.246 1.00 73.01 O ATOM 1086 CB TYR A 69 -5.978 10.482 -2.889 1.00 24.34 C ATOM 1087 CG TYR A 69 -4.821 11.046 -3.650 1.00 71.43 C ATOM 1088 CD1 TYR A 69 -3.476 10.852 -3.262 1.00 61.14 C ATOM 1089 CD2 TYR A 69 -5.159 12.138 -4.463 1.00 72.25 C ATOM 1090 CE1 TYR A 69 -2.465 11.699 -3.669 1.00 3.21 C ATOM 1091 CE2 TYR A 69 -4.141 12.946 -4.990 1.00 61.41 C ATOM 1092 CZ TYR A 69 -2.799 12.720 -4.606 1.00 11.42 C ATOM 1093 OH TYR A 69 -1.872 13.568 -5.102 1.00 61.52 O ATOM 0 H TYR A 69 -4.420 7.951 -2.954 1.00 14.44 H new ATOM 0 HA TYR A 69 -6.472 9.120 -1.326 1.00 10.40 H new ATOM 0 HB2 TYR A 69 -6.848 10.622 -3.531 1.00 24.34 H new ATOM 0 HB3 TYR A 69 -6.110 11.136 -2.027 1.00 24.34 H new ATOM 0 HD1 TYR A 69 -3.231 10.014 -2.626 1.00 61.14 H new ATOM 0 HD2 TYR A 69 -6.194 12.355 -4.681 1.00 72.25 H new ATOM 0 HE1 TYR A 69 -1.459 11.592 -3.292 1.00 3.21 H new ATOM 0 HE2 TYR A 69 -4.381 13.737 -5.685 1.00 61.41 H new ATOM 0 HH TYR A 69 -2.299 14.190 -5.727 1.00 61.52 H new ATOM 1103 N ASP A 70 -8.228 8.950 -3.426 1.00 61.02 N ATOM 1104 CA ASP A 70 -9.095 8.490 -4.518 1.00 75.14 C ATOM 1105 C ASP A 70 -8.563 9.093 -5.793 1.00 51.13 C ATOM 1106 O ASP A 70 -7.421 9.568 -5.828 1.00 22.31 O ATOM 1107 CB ASP A 70 -10.618 8.696 -4.335 1.00 22.33 C ATOM 1108 CG ASP A 70 -11.422 9.888 -4.915 1.00 62.21 C ATOM 1109 OD1 ASP A 70 -10.872 10.916 -5.351 1.00 33.23 O ATOM 1110 OD2 ASP A 70 -12.669 9.779 -4.944 1.00 75.44 O ATOM 0 H ASP A 70 -8.512 9.834 -3.003 1.00 61.02 H new ATOM 0 HA ASP A 70 -9.043 7.401 -4.539 1.00 75.14 H new ATOM 0 HB2 ASP A 70 -11.093 7.795 -4.724 1.00 22.33 H new ATOM 0 HB3 ASP A 70 -10.793 8.710 -3.259 1.00 22.33 H new ATOM 1115 N LYS A 71 -9.392 9.060 -6.834 1.00 0.55 N ATOM 1116 CA LYS A 71 -9.109 9.580 -8.162 1.00 53.31 C ATOM 1117 C LYS A 71 -8.440 10.940 -8.021 1.00 44.45 C ATOM 1118 O LYS A 71 -7.453 11.200 -8.716 1.00 24.11 O ATOM 1119 CB LYS A 71 -10.392 9.734 -8.998 1.00 52.14 C ATOM 1120 CG LYS A 71 -11.273 8.478 -9.136 1.00 55.40 C ATOM 1121 CD LYS A 71 -12.284 8.298 -7.989 1.00 14.24 C ATOM 1122 CE LYS A 71 -13.416 7.360 -8.417 1.00 0.13 C ATOM 1123 NZ LYS A 71 -14.563 7.400 -7.486 1.00 72.30 N ATOM 0 H LYS A 71 -10.323 8.649 -6.767 1.00 0.55 H new ATOM 0 HA LYS A 71 -8.456 8.874 -8.675 1.00 53.31 H new ATOM 0 HB2 LYS A 71 -10.995 10.527 -8.556 1.00 52.14 H new ATOM 0 HB3 LYS A 71 -10.111 10.066 -9.997 1.00 52.14 H new ATOM 0 HG2 LYS A 71 -11.815 8.528 -10.081 1.00 55.40 H new ATOM 0 HG3 LYS A 71 -10.631 7.599 -9.183 1.00 55.40 H new ATOM 0 HD2 LYS A 71 -11.780 7.893 -7.112 1.00 14.24 H new ATOM 0 HD3 LYS A 71 -12.694 9.266 -7.702 1.00 14.24 H new ATOM 0 HE2 LYS A 71 -13.753 7.634 -9.417 1.00 0.13 H new ATOM 0 HE3 LYS A 71 -13.036 6.340 -8.477 1.00 0.13 H new ATOM 0 HZ1 LYS A 71 -15.303 6.749 -7.818 1.00 72.30 H new ATOM 0 HZ2 LYS A 71 -14.250 7.113 -6.537 1.00 72.30 H new ATOM 0 HZ3 LYS A 71 -14.945 8.367 -7.447 1.00 72.30 H new ATOM 1137 N GLU A 72 -8.903 11.769 -7.085 1.00 2.13 N ATOM 1138 CA GLU A 72 -8.336 13.022 -6.728 1.00 42.25 C ATOM 1139 C GLU A 72 -8.383 13.298 -5.219 1.00 31.41 C ATOM 1140 O GLU A 72 -8.022 14.413 -4.876 1.00 72.44 O ATOM 1141 CB GLU A 72 -9.082 14.082 -7.534 1.00 34.41 C ATOM 1142 CG GLU A 72 -8.596 14.085 -8.995 1.00 15.21 C ATOM 1143 CD GLU A 72 -8.683 15.443 -9.672 1.00 42.54 C ATOM 1144 OE1 GLU A 72 -7.753 16.257 -9.437 1.00 12.10 O ATOM 1145 OE2 GLU A 72 -9.579 15.629 -10.524 1.00 4.31 O ATOM 0 H GLU A 72 -9.734 11.549 -6.537 1.00 2.13 H new ATOM 0 HA GLU A 72 -7.272 13.031 -6.964 1.00 42.25 H new ATOM 0 HB2 GLU A 72 -10.154 13.886 -7.501 1.00 34.41 H new ATOM 0 HB3 GLU A 72 -8.924 15.064 -7.089 1.00 34.41 H new ATOM 0 HG2 GLU A 72 -7.562 13.741 -9.024 1.00 15.21 H new ATOM 0 HG3 GLU A 72 -9.186 13.368 -9.565 1.00 15.21 H new ATOM 1152 N GLU A 73 -8.704 12.331 -4.328 1.00 51.15 N ATOM 1153 CA GLU A 73 -8.980 12.515 -2.881 1.00 31.10 C ATOM 1154 C GLU A 73 -7.886 12.985 -1.925 1.00 61.45 C ATOM 1155 O GLU A 73 -7.844 12.724 -0.730 1.00 25.11 O ATOM 1156 CB GLU A 73 -9.774 11.362 -2.260 1.00 74.02 C ATOM 1157 CG GLU A 73 -11.113 11.619 -1.567 1.00 1.55 C ATOM 1158 CD GLU A 73 -11.146 12.700 -0.482 1.00 11.43 C ATOM 1159 OE1 GLU A 73 -11.006 12.411 0.716 1.00 42.53 O ATOM 1160 OE2 GLU A 73 -11.567 13.836 -0.828 1.00 64.24 O ATOM 0 H GLU A 73 -8.782 11.354 -4.611 1.00 51.15 H new ATOM 0 HA GLU A 73 -9.588 13.415 -2.971 1.00 31.10 H new ATOM 0 HB2 GLU A 73 -9.957 10.636 -3.052 1.00 74.02 H new ATOM 0 HB3 GLU A 73 -9.123 10.881 -1.531 1.00 74.02 H new ATOM 0 HG2 GLU A 73 -11.843 11.886 -2.331 1.00 1.55 H new ATOM 0 HG3 GLU A 73 -11.447 10.682 -1.120 1.00 1.55 H new ATOM 1167 N HIS A 74 -7.005 13.735 -2.513 1.00 52.24 N ATOM 1168 CA HIS A 74 -6.058 14.707 -2.117 1.00 11.24 C ATOM 1169 C HIS A 74 -5.169 14.232 -0.972 1.00 42.42 C ATOM 1170 O HIS A 74 -4.780 14.958 -0.051 1.00 64.31 O ATOM 1171 CB HIS A 74 -6.774 16.048 -1.837 1.00 25.04 C ATOM 1172 CG HIS A 74 -8.134 16.281 -2.471 1.00 23.01 C ATOM 1173 ND1 HIS A 74 -9.310 15.760 -1.980 1.00 70.35 N flip ATOM 1174 CD2 HIS A 74 -8.441 17.060 -3.570 1.00 31.30 C flip ATOM 1175 CE1 HIS A 74 -10.336 16.183 -2.842 1.00 21.20 C flip ATOM 1176 NE2 HIS A 74 -9.756 16.921 -3.799 1.00 10.22 N flip ATOM 0 H HIS A 74 -6.935 13.639 -3.526 1.00 52.24 H new ATOM 0 HA HIS A 74 -5.363 14.873 -2.940 1.00 11.24 H new ATOM 0 HB2 HIS A 74 -6.889 16.145 -0.757 1.00 25.04 H new ATOM 0 HB3 HIS A 74 -6.113 16.852 -2.161 1.00 25.04 H new ATOM 0 HD2 HIS A 74 -7.752 17.667 -4.138 1.00 31.30 H new ATOM 0 HE1 HIS A 74 -11.388 15.957 -2.751 1.00 21.20 H new ATOM 0 HE2 HIS A 74 -10.249 17.324 -4.596 1.00 10.22 H new ATOM 1184 N CYS A 75 -4.844 12.959 -1.057 1.00 70.33 N ATOM 1185 CA CYS A 75 -4.454 11.957 -0.121 1.00 31.34 C ATOM 1186 C CYS A 75 -5.370 11.928 1.117 1.00 4.53 C ATOM 1187 O CYS A 75 -5.322 12.828 1.959 1.00 44.35 O ATOM 1188 CB CYS A 75 -2.983 12.163 0.267 1.00 30.41 C ATOM 1189 SG CYS A 75 -1.930 13.099 -0.875 1.00 14.10 S ATOM 0 H CYS A 75 -4.857 12.537 -1.986 1.00 70.33 H new ATOM 0 HA CYS A 75 -4.561 10.982 -0.597 1.00 31.34 H new ATOM 0 HB2 CYS A 75 -2.959 12.666 1.234 1.00 30.41 H new ATOM 0 HB3 CYS A 75 -2.533 11.180 0.408 1.00 30.41 H new ATOM 0 HG CYS A 75 -2.080 12.637 -2.081 1.00 14.10 H new ATOM 1195 N THR A 76 -6.161 10.864 1.263 1.00 70.25 N ATOM 1196 CA THR A 76 -6.947 10.581 2.458 1.00 62.45 C ATOM 1197 C THR A 76 -6.010 10.078 3.566 1.00 45.14 C ATOM 1198 O THR A 76 -6.185 10.409 4.739 1.00 65.24 O ATOM 1199 CB THR A 76 -8.081 9.588 2.121 1.00 31.00 C ATOM 1200 OG1 THR A 76 -7.654 8.239 2.064 1.00 52.35 O ATOM 1201 CG2 THR A 76 -8.729 9.863 0.757 1.00 44.21 C ATOM 0 H THR A 76 -6.273 10.160 0.534 1.00 70.25 H new ATOM 0 HA THR A 76 -7.431 11.486 2.827 1.00 62.45 H new ATOM 0 HB THR A 76 -8.787 9.738 2.938 1.00 31.00 H new ATOM 0 HG1 THR A 76 -8.417 7.663 1.849 1.00 52.35 H new ATOM 0 HG21 THR A 76 -9.518 9.134 0.576 1.00 44.21 H new ATOM 0 HG22 THR A 76 -9.154 10.867 0.752 1.00 44.21 H new ATOM 0 HG23 THR A 76 -7.975 9.784 -0.026 1.00 44.21 H new ATOM 1209 N GLU A 77 -4.985 9.304 3.195 1.00 61.43 N ATOM 1210 CA GLU A 77 -4.191 8.488 4.100 1.00 50.45 C ATOM 1211 C GLU A 77 -2.704 8.614 3.760 1.00 50.25 C ATOM 1212 O GLU A 77 -2.331 9.147 2.704 1.00 25.14 O ATOM 1213 CB GLU A 77 -4.663 7.026 3.987 1.00 32.04 C ATOM 1214 CG GLU A 77 -5.909 6.758 4.848 1.00 12.53 C ATOM 1215 CD GLU A 77 -6.297 5.277 4.902 1.00 50.35 C ATOM 1216 OE1 GLU A 77 -6.416 4.630 3.834 1.00 61.03 O ATOM 1217 OE2 GLU A 77 -6.549 4.761 6.022 1.00 12.52 O ATOM 0 H GLU A 77 -4.681 9.231 2.224 1.00 61.43 H new ATOM 0 HA GLU A 77 -4.324 8.830 5.126 1.00 50.45 H new ATOM 0 HB2 GLU A 77 -4.885 6.796 2.945 1.00 32.04 H new ATOM 0 HB3 GLU A 77 -3.858 6.360 4.296 1.00 32.04 H new ATOM 0 HG2 GLU A 77 -5.727 7.117 5.861 1.00 12.53 H new ATOM 0 HG3 GLU A 77 -6.747 7.332 4.452 1.00 12.53 H new ATOM 1224 N GLN A 78 -1.836 8.124 4.655 1.00 50.44 N ATOM 1225 CA GLN A 78 -0.402 8.044 4.431 1.00 10.50 C ATOM 1226 C GLN A 78 0.120 6.761 5.083 1.00 13.41 C ATOM 1227 O GLN A 78 -0.491 6.297 6.044 1.00 12.20 O ATOM 1228 CB GLN A 78 0.229 9.321 4.993 1.00 11.13 C ATOM 1229 CG GLN A 78 0.024 9.650 6.477 1.00 62.44 C ATOM 1230 CD GLN A 78 -0.293 11.122 6.742 1.00 5.50 C ATOM 1231 OE1 GLN A 78 0.570 12.001 6.765 1.00 72.11 O ATOM 1232 NE2 GLN A 78 -1.562 11.431 6.911 1.00 25.20 N ATOM 0 H GLN A 78 -2.124 7.769 5.567 1.00 50.44 H new ATOM 0 HA GLN A 78 -0.141 7.987 3.374 1.00 10.50 H new ATOM 0 HB2 GLN A 78 1.302 9.267 4.811 1.00 11.13 H new ATOM 0 HB3 GLN A 78 -0.151 10.161 4.412 1.00 11.13 H new ATOM 0 HG2 GLN A 78 -0.788 9.037 6.867 1.00 62.44 H new ATOM 0 HG3 GLN A 78 0.923 9.376 7.028 1.00 62.44 H new ATOM 0 HE21 GLN A 78 -2.272 10.699 6.891 1.00 25.20 H new ATOM 0 HE22 GLN A 78 -1.835 12.402 7.062 1.00 25.20 H new ATOM 1241 N TYR A 79 1.260 6.220 4.653 1.00 62.22 N ATOM 1242 CA TYR A 79 1.978 5.166 5.378 1.00 21.21 C ATOM 1243 C TYR A 79 3.452 5.559 5.403 1.00 73.44 C ATOM 1244 O TYR A 79 3.964 6.016 4.381 1.00 50.34 O ATOM 1245 CB TYR A 79 1.784 3.806 4.713 1.00 41.53 C ATOM 1246 CG TYR A 79 0.363 3.282 4.732 1.00 34.13 C ATOM 1247 CD1 TYR A 79 -0.098 2.567 5.851 1.00 45.52 C ATOM 1248 CD2 TYR A 79 -0.489 3.475 3.627 1.00 22.40 C ATOM 1249 CE1 TYR A 79 -1.386 2.017 5.842 1.00 33.22 C ATOM 1250 CE2 TYR A 79 -1.791 2.938 3.622 1.00 24.10 C ATOM 1251 CZ TYR A 79 -2.235 2.180 4.728 1.00 73.05 C ATOM 1252 OH TYR A 79 -3.510 1.705 4.763 1.00 1.53 O ATOM 0 H TYR A 79 1.716 6.502 3.785 1.00 62.22 H new ATOM 0 HA TYR A 79 1.590 5.072 6.392 1.00 21.21 H new ATOM 0 HB2 TYR A 79 2.117 3.874 3.677 1.00 41.53 H new ATOM 0 HB3 TYR A 79 2.430 3.081 5.208 1.00 41.53 H new ATOM 0 HD1 TYR A 79 0.539 2.442 6.714 1.00 45.52 H new ATOM 0 HD2 TYR A 79 -0.140 4.040 2.775 1.00 22.40 H new ATOM 0 HE1 TYR A 79 -1.734 1.461 6.700 1.00 33.22 H new ATOM 0 HE2 TYR A 79 -2.445 3.105 2.779 1.00 24.10 H new ATOM 0 HH TYR A 79 -3.670 1.259 5.621 1.00 1.53 H new ATOM 1262 N HIS A 80 4.164 5.365 6.511 1.00 12.00 N ATOM 1263 CA HIS A 80 5.608 5.600 6.558 1.00 21.31 C ATOM 1264 C HIS A 80 6.271 4.398 5.873 1.00 52.21 C ATOM 1265 O HIS A 80 5.904 3.256 6.169 1.00 51.11 O ATOM 1266 CB HIS A 80 6.137 5.756 8.000 1.00 63.14 C ATOM 1267 CG HIS A 80 6.999 6.987 8.194 1.00 72.45 C ATOM 1268 ND1 HIS A 80 6.955 7.862 9.248 1.00 65.45 N flip ATOM 1269 CD2 HIS A 80 8.014 7.405 7.362 1.00 4.43 C flip ATOM 1270 CE1 HIS A 80 7.941 8.839 9.039 1.00 71.41 C flip ATOM 1271 NE2 HIS A 80 8.533 8.532 7.871 1.00 61.41 N flip ATOM 0 H HIS A 80 3.764 5.044 7.393 1.00 12.00 H new ATOM 0 HA HIS A 80 5.843 6.536 6.052 1.00 21.31 H new ATOM 0 HB2 HIS A 80 5.292 5.802 8.686 1.00 63.14 H new ATOM 0 HB3 HIS A 80 6.715 4.871 8.265 1.00 63.14 H new ATOM 0 HD2 HIS A 80 8.336 6.911 6.457 1.00 4.43 H new ATOM 0 HE1 HIS A 80 8.177 9.671 9.686 1.00 71.41 H new ATOM 0 HE2 HIS A 80 9.274 9.080 7.433 1.00 61.41 H new ATOM 1279 N ILE A 81 7.201 4.609 4.938 1.00 70.25 N ATOM 1280 CA ILE A 81 7.951 3.515 4.315 1.00 22.34 C ATOM 1281 C ILE A 81 9.074 3.173 5.284 1.00 11.42 C ATOM 1282 O ILE A 81 10.064 3.903 5.326 1.00 33.11 O ATOM 1283 CB ILE A 81 8.518 3.916 2.923 1.00 24.42 C ATOM 1284 CG1 ILE A 81 7.408 4.366 1.950 1.00 41.12 C ATOM 1285 CG2 ILE A 81 9.398 2.796 2.324 1.00 53.45 C ATOM 1286 CD1 ILE A 81 7.906 4.814 0.568 1.00 2.44 C ATOM 0 H ILE A 81 7.454 5.535 4.594 1.00 70.25 H new ATOM 0 HA ILE A 81 7.302 2.658 4.132 1.00 22.34 H new ATOM 0 HB ILE A 81 9.162 4.782 3.078 1.00 24.42 H new ATOM 0 HG12 ILE A 81 6.705 3.544 1.818 1.00 41.12 H new ATOM 0 HG13 ILE A 81 6.856 5.188 2.406 1.00 41.12 H new ATOM 0 HG21 ILE A 81 9.777 3.111 1.352 1.00 53.45 H new ATOM 0 HG22 ILE A 81 10.236 2.595 2.992 1.00 53.45 H new ATOM 0 HG23 ILE A 81 8.803 1.890 2.205 1.00 53.45 H new ATOM 0 HD11 ILE A 81 7.056 5.112 -0.046 1.00 2.44 H new ATOM 0 HD12 ILE A 81 8.585 5.659 0.682 1.00 2.44 H new ATOM 0 HD13 ILE A 81 8.431 3.990 0.086 1.00 2.44 H new ATOM 1298 N LEU A 82 8.941 2.108 6.077 1.00 33.43 N ATOM 1299 CA LEU A 82 10.098 1.622 6.834 1.00 11.14 C ATOM 1300 C LEU A 82 11.026 0.894 5.870 1.00 21.31 C ATOM 1301 O LEU A 82 12.221 1.182 5.818 1.00 4.44 O ATOM 1302 CB LEU A 82 9.710 0.705 8.002 1.00 5.00 C ATOM 1303 CG LEU A 82 8.635 1.277 8.934 1.00 22.50 C ATOM 1304 CD1 LEU A 82 8.425 0.306 10.104 1.00 21.54 C ATOM 1305 CD2 LEU A 82 8.997 2.654 9.506 1.00 4.22 C ATOM 0 H LEU A 82 8.078 1.581 6.210 1.00 33.43 H new ATOM 0 HA LEU A 82 10.598 2.481 7.282 1.00 11.14 H new ATOM 0 HB2 LEU A 82 9.355 -0.244 7.599 1.00 5.00 H new ATOM 0 HB3 LEU A 82 10.603 0.489 8.589 1.00 5.00 H new ATOM 0 HG LEU A 82 7.731 1.399 8.338 1.00 22.50 H new ATOM 0 HD11 LEU A 82 7.662 0.703 10.774 1.00 21.54 H new ATOM 0 HD12 LEU A 82 8.103 -0.662 9.720 1.00 21.54 H new ATOM 0 HD13 LEU A 82 9.361 0.187 10.650 1.00 21.54 H new ATOM 0 HD21 LEU A 82 8.194 3.000 10.157 1.00 4.22 H new ATOM 0 HD22 LEU A 82 9.921 2.578 10.079 1.00 4.22 H new ATOM 0 HD23 LEU A 82 9.134 3.363 8.689 1.00 4.22 H new ATOM 1317 N LYS A 83 10.472 -0.025 5.071 1.00 70.25 N ATOM 1318 CA LYS A 83 11.206 -0.734 4.035 1.00 43.32 C ATOM 1319 C LYS A 83 10.293 -1.055 2.866 1.00 24.11 C ATOM 1320 O LYS A 83 9.116 -1.380 3.049 1.00 71.34 O ATOM 1321 CB LYS A 83 11.814 -2.036 4.602 1.00 41.02 C ATOM 1322 CG LYS A 83 13.330 -1.932 4.838 1.00 5.33 C ATOM 1323 CD LYS A 83 14.079 -1.913 3.502 1.00 53.41 C ATOM 1324 CE LYS A 83 15.597 -1.884 3.638 1.00 54.43 C ATOM 1325 NZ LYS A 83 16.105 -0.644 4.260 1.00 25.53 N ATOM 0 H LYS A 83 9.490 -0.295 5.132 1.00 70.25 H new ATOM 0 HA LYS A 83 12.014 -0.092 3.685 1.00 43.32 H new ATOM 0 HB2 LYS A 83 11.321 -2.283 5.542 1.00 41.02 H new ATOM 0 HB3 LYS A 83 11.614 -2.856 3.912 1.00 41.02 H new ATOM 0 HG2 LYS A 83 13.555 -1.026 5.401 1.00 5.33 H new ATOM 0 HG3 LYS A 83 13.669 -2.775 5.440 1.00 5.33 H new ATOM 0 HD2 LYS A 83 13.794 -2.793 2.926 1.00 53.41 H new ATOM 0 HD3 LYS A 83 13.760 -1.041 2.931 1.00 53.41 H new ATOM 0 HE2 LYS A 83 15.918 -2.739 4.234 1.00 54.43 H new ATOM 0 HE3 LYS A 83 16.045 -1.997 2.651 1.00 54.43 H new ATOM 0 HZ1 LYS A 83 17.142 -0.687 4.323 1.00 25.53 H new ATOM 0 HZ2 LYS A 83 15.827 0.174 3.681 1.00 25.53 H new ATOM 0 HZ3 LYS A 83 15.704 -0.545 5.214 1.00 25.53 H new ATOM 1339 N LEU A 84 10.898 -1.048 1.680 1.00 31.52 N ATOM 1340 CA LEU A 84 10.487 -1.817 0.518 1.00 52.11 C ATOM 1341 C LEU A 84 11.541 -2.913 0.374 1.00 42.21 C ATOM 1342 O LEU A 84 12.715 -2.635 0.625 1.00 74.35 O ATOM 1343 CB LEU A 84 10.501 -0.927 -0.750 1.00 23.14 C ATOM 1344 CG LEU A 84 9.275 -1.050 -1.663 1.00 11.04 C ATOM 1345 CD1 LEU A 84 8.894 -2.488 -1.983 1.00 75.24 C ATOM 1346 CD2 LEU A 84 8.075 -0.363 -1.039 1.00 73.42 C ATOM 0 H LEU A 84 11.725 -0.479 1.500 1.00 31.52 H new ATOM 0 HA LEU A 84 9.478 -2.214 0.634 1.00 52.11 H new ATOM 0 HB2 LEU A 84 10.597 0.114 -0.440 1.00 23.14 H new ATOM 0 HB3 LEU A 84 11.390 -1.170 -1.332 1.00 23.14 H new ATOM 0 HG LEU A 84 9.559 -0.566 -2.598 1.00 11.04 H new ATOM 0 HD11 LEU A 84 8.019 -2.497 -2.633 1.00 75.24 H new ATOM 0 HD12 LEU A 84 9.725 -2.981 -2.487 1.00 75.24 H new ATOM 0 HD13 LEU A 84 8.665 -3.018 -1.059 1.00 75.24 H new ATOM 0 HD21 LEU A 84 7.215 -0.461 -1.701 1.00 73.42 H new ATOM 0 HD22 LEU A 84 7.849 -0.827 -0.079 1.00 73.42 H new ATOM 0 HD23 LEU A 84 8.298 0.693 -0.888 1.00 73.42 H new ATOM 1358 N THR A 85 11.161 -4.102 -0.081 1.00 23.51 N ATOM 1359 CA THR A 85 12.077 -5.156 -0.511 1.00 2.21 C ATOM 1360 C THR A 85 11.477 -5.830 -1.756 1.00 72.55 C ATOM 1361 O THR A 85 10.575 -5.262 -2.372 1.00 12.22 O ATOM 1362 CB THR A 85 12.413 -6.129 0.635 1.00 31.54 C ATOM 1363 OG1 THR A 85 11.411 -7.095 0.852 1.00 35.33 O ATOM 1364 CG2 THR A 85 12.805 -5.476 1.966 1.00 33.40 C ATOM 0 H THR A 85 10.180 -4.368 -0.164 1.00 23.51 H new ATOM 0 HA THR A 85 13.043 -4.734 -0.787 1.00 2.21 H new ATOM 0 HB THR A 85 13.311 -6.624 0.265 1.00 31.54 H new ATOM 0 HG1 THR A 85 11.679 -7.684 1.588 1.00 35.33 H new ATOM 0 HG21 THR A 85 13.021 -6.251 2.702 1.00 33.40 H new ATOM 0 HG22 THR A 85 13.690 -4.857 1.821 1.00 33.40 H new ATOM 0 HG23 THR A 85 11.983 -4.855 2.323 1.00 33.40 H new ATOM 1372 N SER A 86 11.945 -7.018 -2.162 1.00 42.13 N ATOM 1373 CA SER A 86 11.208 -7.821 -3.127 1.00 61.32 C ATOM 1374 C SER A 86 9.813 -8.053 -2.579 1.00 14.31 C ATOM 1375 O SER A 86 8.844 -7.629 -3.206 1.00 60.22 O ATOM 1376 CB SER A 86 11.907 -9.151 -3.412 1.00 61.15 C ATOM 1377 OG SER A 86 11.114 -10.046 -4.167 1.00 75.41 O ATOM 0 H SER A 86 12.819 -7.433 -1.839 1.00 42.13 H new ATOM 0 HA SER A 86 11.159 -7.287 -4.076 1.00 61.32 H new ATOM 0 HB2 SER A 86 12.836 -8.958 -3.948 1.00 61.15 H new ATOM 0 HB3 SER A 86 12.176 -9.623 -2.467 1.00 61.15 H new ATOM 0 HG SER A 86 11.612 -10.876 -4.319 1.00 75.41 H new ATOM 1383 N LYS A 87 9.707 -8.739 -1.437 1.00 60.45 N ATOM 1384 CA LYS A 87 8.459 -9.356 -1.003 1.00 4.02 C ATOM 1385 C LYS A 87 8.045 -8.963 0.400 1.00 23.13 C ATOM 1386 O LYS A 87 7.120 -9.580 0.910 1.00 60.51 O ATOM 1387 CB LYS A 87 8.520 -10.878 -1.200 1.00 44.32 C ATOM 1388 CG LYS A 87 9.562 -11.588 -0.322 1.00 53.32 C ATOM 1389 CD LYS A 87 9.227 -13.081 -0.268 1.00 61.41 C ATOM 1390 CE LYS A 87 8.192 -13.356 0.834 1.00 31.30 C ATOM 1391 NZ LYS A 87 7.382 -14.553 0.545 1.00 63.23 N ATOM 0 H LYS A 87 10.484 -8.880 -0.792 1.00 60.45 H new ATOM 0 HA LYS A 87 7.667 -8.963 -1.640 1.00 4.02 H new ATOM 0 HB2 LYS A 87 7.537 -11.299 -0.990 1.00 44.32 H new ATOM 0 HB3 LYS A 87 8.740 -11.089 -2.247 1.00 44.32 H new ATOM 0 HG2 LYS A 87 10.562 -11.440 -0.729 1.00 53.32 H new ATOM 0 HG3 LYS A 87 9.561 -11.164 0.682 1.00 53.32 H new ATOM 0 HD2 LYS A 87 8.837 -13.408 -1.232 1.00 61.41 H new ATOM 0 HD3 LYS A 87 10.133 -13.657 -0.078 1.00 61.41 H new ATOM 0 HE2 LYS A 87 8.704 -13.486 1.788 1.00 31.30 H new ATOM 0 HE3 LYS A 87 7.536 -12.492 0.939 1.00 31.30 H new ATOM 0 HZ1 LYS A 87 6.697 -14.702 1.313 1.00 63.23 H new ATOM 0 HZ2 LYS A 87 6.873 -14.419 -0.352 1.00 63.23 H new ATOM 0 HZ3 LYS A 87 8.004 -15.383 0.470 1.00 63.23 H new ATOM 1405 N GLU A 88 8.673 -7.974 1.032 1.00 51.35 N ATOM 1406 CA GLU A 88 8.364 -7.610 2.401 1.00 50.44 C ATOM 1407 C GLU A 88 8.318 -6.087 2.543 1.00 70.12 C ATOM 1408 O GLU A 88 9.349 -5.415 2.539 1.00 51.02 O ATOM 1409 CB GLU A 88 9.385 -8.261 3.343 1.00 62.23 C ATOM 1410 CG GLU A 88 8.651 -8.581 4.642 1.00 42.32 C ATOM 1411 CD GLU A 88 9.612 -8.742 5.805 1.00 54.01 C ATOM 1412 OE1 GLU A 88 10.035 -7.691 6.341 1.00 13.23 O ATOM 1413 OE2 GLU A 88 9.864 -9.894 6.223 1.00 13.12 O ATOM 0 H GLU A 88 9.407 -7.408 0.606 1.00 51.35 H new ATOM 0 HA GLU A 88 7.377 -7.982 2.677 1.00 50.44 H new ATOM 0 HB2 GLU A 88 9.796 -9.167 2.899 1.00 62.23 H new ATOM 0 HB3 GLU A 88 10.222 -7.588 3.529 1.00 62.23 H new ATOM 0 HG2 GLU A 88 7.941 -7.784 4.864 1.00 42.32 H new ATOM 0 HG3 GLU A 88 8.074 -9.497 4.518 1.00 42.32 H new ATOM 1420 N MET A 89 7.118 -5.523 2.657 1.00 2.10 N ATOM 1421 CA MET A 89 6.882 -4.087 2.611 1.00 44.12 C ATOM 1422 C MET A 89 6.217 -3.645 3.909 1.00 23.44 C ATOM 1423 O MET A 89 5.104 -4.078 4.200 1.00 64.43 O ATOM 1424 CB MET A 89 6.042 -3.799 1.369 1.00 13.13 C ATOM 1425 CG MET A 89 5.636 -2.342 1.268 1.00 65.13 C ATOM 1426 SD MET A 89 4.933 -1.917 -0.347 1.00 44.11 S ATOM 1427 CE MET A 89 3.178 -2.052 0.041 1.00 40.14 C ATOM 0 H MET A 89 6.265 -6.067 2.787 1.00 2.10 H new ATOM 0 HA MET A 89 7.808 -3.517 2.533 1.00 44.12 H new ATOM 0 HB2 MET A 89 6.607 -4.078 0.480 1.00 13.13 H new ATOM 0 HB3 MET A 89 5.148 -4.422 1.387 1.00 13.13 H new ATOM 0 HG2 MET A 89 4.907 -2.118 2.046 1.00 65.13 H new ATOM 0 HG3 MET A 89 6.506 -1.713 1.457 1.00 65.13 H new ATOM 0 HE1 MET A 89 2.687 -2.673 -0.708 1.00 40.14 H new ATOM 0 HE2 MET A 89 3.057 -2.505 1.025 1.00 40.14 H new ATOM 0 HE3 MET A 89 2.728 -1.059 0.041 1.00 40.14 H new ATOM 1437 N LYS A 90 6.918 -2.835 4.702 1.00 14.31 N ATOM 1438 CA LYS A 90 6.533 -2.429 6.057 1.00 44.34 C ATOM 1439 C LYS A 90 5.942 -1.023 5.995 1.00 54.41 C ATOM 1440 O LYS A 90 6.686 -0.056 5.789 1.00 30.40 O ATOM 1441 CB LYS A 90 7.747 -2.487 7.001 1.00 54.44 C ATOM 1442 CG LYS A 90 8.139 -3.898 7.472 1.00 22.13 C ATOM 1443 CD LYS A 90 9.216 -3.795 8.565 1.00 71.44 C ATOM 1444 CE LYS A 90 9.694 -5.132 9.151 1.00 31.30 C ATOM 1445 NZ LYS A 90 10.628 -5.855 8.259 1.00 71.41 N ATOM 0 H LYS A 90 7.805 -2.427 4.408 1.00 14.31 H new ATOM 0 HA LYS A 90 5.783 -3.114 6.454 1.00 44.34 H new ATOM 0 HB2 LYS A 90 8.602 -2.038 6.496 1.00 54.44 H new ATOM 0 HB3 LYS A 90 7.536 -1.874 7.877 1.00 54.44 H new ATOM 0 HG2 LYS A 90 7.263 -4.420 7.858 1.00 22.13 H new ATOM 0 HG3 LYS A 90 8.514 -4.482 6.632 1.00 22.13 H new ATOM 0 HD2 LYS A 90 10.078 -3.270 8.153 1.00 71.44 H new ATOM 0 HD3 LYS A 90 8.827 -3.181 9.377 1.00 71.44 H new ATOM 0 HE2 LYS A 90 10.183 -4.949 10.108 1.00 31.30 H new ATOM 0 HE3 LYS A 90 8.829 -5.764 9.351 1.00 31.30 H new ATOM 0 HZ1 LYS A 90 11.386 -6.286 8.826 1.00 71.41 H new ATOM 0 HZ2 LYS A 90 10.113 -6.600 7.747 1.00 71.41 H new ATOM 0 HZ3 LYS A 90 11.042 -5.189 7.576 1.00 71.41 H new ATOM 1459 N TRP A 91 4.611 -0.942 6.047 1.00 32.21 N ATOM 1460 CA TRP A 91 3.795 0.251 5.860 1.00 63.45 C ATOM 1461 C TRP A 91 3.285 0.675 7.240 1.00 44.31 C ATOM 1462 O TRP A 91 2.287 0.143 7.733 1.00 25.03 O ATOM 1463 CB TRP A 91 2.647 -0.062 4.876 1.00 41.21 C ATOM 1464 CG TRP A 91 2.759 0.496 3.486 1.00 23.33 C ATOM 1465 CD1 TRP A 91 1.706 0.963 2.783 1.00 41.41 C ATOM 1466 CD2 TRP A 91 3.923 0.707 2.622 1.00 62.34 C ATOM 1467 NE1 TRP A 91 2.135 1.491 1.587 1.00 70.55 N ATOM 1468 CE2 TRP A 91 3.488 1.352 1.426 1.00 65.15 C ATOM 1469 CE3 TRP A 91 5.303 0.437 2.713 1.00 5.03 C ATOM 1470 CZ2 TRP A 91 4.360 1.713 0.391 1.00 62.31 C ATOM 1471 CZ3 TRP A 91 6.195 0.805 1.690 1.00 11.31 C ATOM 1472 CH2 TRP A 91 5.728 1.453 0.534 1.00 70.45 C ATOM 0 H TRP A 91 4.040 -1.766 6.234 1.00 32.21 H new ATOM 0 HA TRP A 91 4.365 1.073 5.427 1.00 63.45 H new ATOM 0 HB2 TRP A 91 2.556 -1.145 4.798 1.00 41.21 H new ATOM 0 HB3 TRP A 91 1.719 0.306 5.313 1.00 41.21 H new ATOM 0 HD1 TRP A 91 0.678 0.928 3.111 1.00 41.41 H new ATOM 0 HE1 TRP A 91 1.520 1.932 0.903 1.00 70.55 H new ATOM 0 HE3 TRP A 91 5.685 -0.065 3.590 1.00 5.03 H new ATOM 0 HZ2 TRP A 91 3.983 2.185 -0.504 1.00 62.31 H new ATOM 0 HZ3 TRP A 91 7.248 0.588 1.794 1.00 11.31 H new ATOM 0 HH2 TRP A 91 6.421 1.749 -0.240 1.00 70.45 H new ATOM 1483 N GLU A 92 4.001 1.601 7.878 1.00 5.10 N ATOM 1484 CA GLU A 92 3.787 1.997 9.268 1.00 31.32 C ATOM 1485 C GLU A 92 2.778 3.156 9.347 1.00 2.10 C ATOM 1486 O GLU A 92 2.598 3.877 8.365 1.00 73.45 O ATOM 1487 CB GLU A 92 5.160 2.385 9.833 1.00 25.32 C ATOM 1488 CG GLU A 92 5.259 2.545 11.354 1.00 62.14 C ATOM 1489 CD GLU A 92 5.057 1.266 12.172 1.00 33.41 C ATOM 1490 OE1 GLU A 92 5.066 0.135 11.637 1.00 12.34 O ATOM 1491 OE2 GLU A 92 4.905 1.419 13.408 1.00 53.53 O ATOM 0 H GLU A 92 4.764 2.108 7.431 1.00 5.10 H new ATOM 0 HA GLU A 92 3.361 1.184 9.856 1.00 31.32 H new ATOM 0 HB2 GLU A 92 5.881 1.629 9.523 1.00 25.32 H new ATOM 0 HB3 GLU A 92 5.465 3.324 9.372 1.00 25.32 H new ATOM 0 HG2 GLU A 92 6.239 2.957 11.594 1.00 62.14 H new ATOM 0 HG3 GLU A 92 4.518 3.279 11.672 1.00 62.14 H new ATOM 1498 N ASN A 93 2.167 3.394 10.517 1.00 3.14 N ATOM 1499 CA ASN A 93 1.078 4.350 10.679 1.00 45.11 C ATOM 1500 C ASN A 93 1.539 5.779 10.419 1.00 65.23 C ATOM 1501 O ASN A 93 0.892 6.469 9.647 1.00 24.33 O ATOM 1502 CB ASN A 93 0.420 4.238 12.068 1.00 30.41 C ATOM 1503 CG ASN A 93 -0.291 5.533 12.448 1.00 43.24 C ATOM 1504 OD1 ASN A 93 0.261 6.308 13.220 1.00 44.45 O ATOM 1505 ND2 ASN A 93 -1.457 5.821 11.881 1.00 71.03 N ATOM 0 H ASN A 93 2.423 2.919 11.383 1.00 3.14 H new ATOM 0 HA ASN A 93 0.327 4.097 9.931 1.00 45.11 H new ATOM 0 HB2 ASN A 93 -0.294 3.414 12.070 1.00 30.41 H new ATOM 0 HB3 ASN A 93 1.179 4.004 12.815 1.00 30.41 H new ATOM 0 HD21 ASN A 93 -1.918 6.708 12.084 1.00 71.03 H new ATOM 0 HD22 ASN A 93 -1.892 5.155 11.242 1.00 71.03 H new ATOM 1512 N ALA A 94 2.622 6.236 11.052 1.00 23.30 N ATOM 1513 CA ALA A 94 3.061 7.633 11.165 1.00 65.15 C ATOM 1514 C ALA A 94 2.029 8.584 11.779 1.00 24.43 C ATOM 1515 O ALA A 94 2.384 9.289 12.722 1.00 71.12 O ATOM 1516 CB ALA A 94 3.567 8.223 9.840 1.00 34.21 C ATOM 0 H ALA A 94 3.259 5.600 11.532 1.00 23.30 H new ATOM 0 HA ALA A 94 3.895 7.563 11.863 1.00 65.15 H new ATOM 0 HB1 ALA A 94 3.875 9.257 9.996 1.00 34.21 H new ATOM 0 HB2 ALA A 94 4.417 7.641 9.484 1.00 34.21 H new ATOM 0 HB3 ALA A 94 2.769 8.190 9.099 1.00 34.21 H new ATOM 1522 N SER A 95 0.810 8.665 11.241 1.00 21.00 N ATOM 1523 CA SER A 95 -0.167 9.681 11.590 1.00 22.21 C ATOM 1524 C SER A 95 -1.349 9.047 12.334 1.00 25.43 C ATOM 1525 O SER A 95 -2.349 8.670 11.717 1.00 32.44 O ATOM 1526 CB SER A 95 -0.538 10.460 10.326 1.00 42.25 C ATOM 1527 OG SER A 95 0.622 11.088 9.810 1.00 24.23 O ATOM 0 H SER A 95 0.474 8.009 10.536 1.00 21.00 H new ATOM 0 HA SER A 95 0.243 10.409 12.290 1.00 22.21 H new ATOM 0 HB2 SER A 95 -0.964 9.787 9.581 1.00 42.25 H new ATOM 0 HB3 SER A 95 -1.299 11.206 10.554 1.00 42.25 H new ATOM 0 HG SER A 95 0.369 11.914 9.347 1.00 24.23 H new ATOM 1533 N PRO A 96 -1.273 8.873 13.668 1.00 54.11 N ATOM 1534 CA PRO A 96 -2.359 8.264 14.428 1.00 52.32 C ATOM 1535 C PRO A 96 -3.623 9.128 14.382 1.00 44.34 C ATOM 1536 O PRO A 96 -4.722 8.605 14.564 1.00 51.24 O ATOM 1537 CB PRO A 96 -1.820 8.075 15.845 1.00 65.33 C ATOM 1538 CG PRO A 96 -0.750 9.155 15.971 1.00 4.43 C ATOM 1539 CD PRO A 96 -0.189 9.261 14.556 1.00 25.00 C ATOM 0 HA PRO A 96 -2.663 7.305 14.007 1.00 52.32 H new ATOM 0 HB2 PRO A 96 -2.604 8.199 16.592 1.00 65.33 H new ATOM 0 HB3 PRO A 96 -1.402 7.078 15.985 1.00 65.33 H new ATOM 0 HG2 PRO A 96 -1.172 10.102 16.308 1.00 4.43 H new ATOM 0 HG3 PRO A 96 0.021 8.876 16.689 1.00 4.43 H new ATOM 0 HD2 PRO A 96 0.146 10.276 14.343 1.00 25.00 H new ATOM 0 HD3 PRO A 96 0.674 8.608 14.428 1.00 25.00 H new ATOM 1547 N LYS A 97 -3.474 10.424 14.081 1.00 74.32 N ATOM 1548 CA LYS A 97 -4.545 11.351 13.743 1.00 52.22 C ATOM 1549 C LYS A 97 -5.435 10.820 12.621 1.00 1.20 C ATOM 1550 O LYS A 97 -6.657 10.791 12.758 1.00 64.04 O ATOM 1551 CB LYS A 97 -3.952 12.731 13.409 1.00 5.43 C ATOM 1552 CG LYS A 97 -2.841 12.760 12.344 1.00 1.34 C ATOM 1553 CD LYS A 97 -2.590 14.167 11.789 1.00 30.01 C ATOM 1554 CE LYS A 97 -1.502 14.115 10.711 1.00 5.41 C ATOM 1555 NZ LYS A 97 -1.484 15.333 9.881 1.00 33.41 N ATOM 0 H LYS A 97 -2.557 10.870 14.068 1.00 74.32 H new ATOM 0 HA LYS A 97 -5.195 11.456 14.612 1.00 52.22 H new ATOM 0 HB2 LYS A 97 -4.762 13.379 13.075 1.00 5.43 H new ATOM 0 HB3 LYS A 97 -3.556 13.164 14.328 1.00 5.43 H new ATOM 0 HG2 LYS A 97 -1.918 12.375 12.777 1.00 1.34 H new ATOM 0 HG3 LYS A 97 -3.111 12.094 11.525 1.00 1.34 H new ATOM 0 HD2 LYS A 97 -3.511 14.572 11.369 1.00 30.01 H new ATOM 0 HD3 LYS A 97 -2.285 14.836 12.594 1.00 30.01 H new ATOM 0 HE2 LYS A 97 -0.529 13.986 11.185 1.00 5.41 H new ATOM 0 HE3 LYS A 97 -1.665 13.245 10.074 1.00 5.41 H new ATOM 0 HZ1 LYS A 97 -0.733 15.255 9.166 1.00 33.41 H new ATOM 0 HZ2 LYS A 97 -2.403 15.444 9.407 1.00 33.41 H new ATOM 0 HZ3 LYS A 97 -1.303 16.161 10.484 1.00 33.41 H new ATOM 1569 N ASP A 98 -4.836 10.381 11.518 1.00 32.31 N ATOM 1570 CA ASP A 98 -5.548 9.950 10.321 1.00 70.32 C ATOM 1571 C ASP A 98 -5.963 8.487 10.459 1.00 3.43 C ATOM 1572 O ASP A 98 -6.882 8.039 9.782 1.00 72.31 O ATOM 1573 CB ASP A 98 -4.685 10.184 9.086 1.00 43.52 C ATOM 1574 CG ASP A 98 -4.592 11.671 8.742 1.00 14.52 C ATOM 1575 OD1 ASP A 98 -5.619 12.256 8.328 1.00 44.43 O ATOM 1576 OD2 ASP A 98 -3.498 12.264 8.882 1.00 72.35 O ATOM 0 H ASP A 98 -3.822 10.314 11.430 1.00 32.31 H new ATOM 0 HA ASP A 98 -6.456 10.541 10.203 1.00 70.32 H new ATOM 0 HB2 ASP A 98 -3.685 9.786 9.259 1.00 43.52 H new ATOM 0 HB3 ASP A 98 -5.103 9.639 8.240 1.00 43.52 H new ATOM 1581 N GLY A 99 -5.345 7.755 11.391 1.00 25.40 N ATOM 1582 CA GLY A 99 -5.731 6.384 11.708 1.00 12.51 C ATOM 1583 C GLY A 99 -5.230 5.381 10.672 1.00 30.21 C ATOM 1584 O GLY A 99 -5.939 4.444 10.308 1.00 10.41 O ATOM 0 H GLY A 99 -4.562 8.101 11.946 1.00 25.40 H new ATOM 0 HA2 GLY A 99 -5.337 6.116 12.688 1.00 12.51 H new ATOM 0 HA3 GLY A 99 -6.817 6.322 11.774 1.00 12.51 H new ATOM 1588 N ASN A 100 -4.020 5.599 10.156 1.00 30.03 N ATOM 1589 CA ASN A 100 -3.377 4.724 9.174 1.00 62.32 C ATOM 1590 C ASN A 100 -3.001 3.397 9.817 1.00 71.33 C ATOM 1591 O ASN A 100 -2.717 3.379 11.017 1.00 63.41 O ATOM 1592 CB ASN A 100 -2.108 5.391 8.622 1.00 62.05 C ATOM 1593 CG ASN A 100 -2.370 6.839 8.271 1.00 25.21 C ATOM 1594 OD1 ASN A 100 -1.878 7.751 8.912 1.00 1.44 O ATOM 1595 ND2 ASN A 100 -3.318 7.083 7.396 1.00 73.32 N ATOM 0 H ASN A 100 -3.448 6.404 10.413 1.00 30.03 H new ATOM 0 HA ASN A 100 -4.080 4.547 8.360 1.00 62.32 H new ATOM 0 HB2 ASN A 100 -1.309 5.330 9.361 1.00 62.05 H new ATOM 0 HB3 ASN A 100 -1.765 4.854 7.737 1.00 62.05 H new ATOM 0 HD21 ASN A 100 -3.645 8.038 7.251 1.00 73.32 H new ATOM 0 HD22 ASN A 100 -3.728 6.317 6.861 1.00 73.32 H new ATOM 1602 N SER A 101 -2.927 2.315 9.041 1.00 14.41 N ATOM 1603 CA SER A 101 -2.527 1.001 9.512 1.00 61.32 C ATOM 1604 C SER A 101 -1.015 0.959 9.757 1.00 32.04 C ATOM 1605 O SER A 101 -0.295 1.839 9.295 1.00 1.41 O ATOM 1606 CB SER A 101 -2.906 -0.053 8.468 1.00 4.53 C ATOM 1607 OG SER A 101 -3.995 0.314 7.634 1.00 32.11 O ATOM 0 H SER A 101 -3.150 2.335 8.046 1.00 14.41 H new ATOM 0 HA SER A 101 -3.041 0.791 10.450 1.00 61.32 H new ATOM 0 HB2 SER A 101 -2.037 -0.256 7.842 1.00 4.53 H new ATOM 0 HB3 SER A 101 -3.154 -0.982 8.981 1.00 4.53 H new ATOM 0 HG SER A 101 -4.651 -0.414 7.614 1.00 32.11 H new ATOM 1613 N ASP A 102 -0.523 -0.094 10.407 1.00 71.05 N ATOM 1614 CA ASP A 102 0.889 -0.314 10.692 1.00 62.04 C ATOM 1615 C ASP A 102 1.230 -1.801 10.520 1.00 32.30 C ATOM 1616 O ASP A 102 1.622 -2.484 11.472 1.00 5.42 O ATOM 1617 CB ASP A 102 1.258 0.264 12.064 1.00 45.45 C ATOM 1618 CG ASP A 102 0.627 -0.385 13.298 1.00 64.21 C ATOM 1619 OD1 ASP A 102 -0.467 -1.014 13.197 1.00 23.14 O ATOM 1620 OD2 ASP A 102 1.196 -0.191 14.388 1.00 54.41 O ATOM 0 H ASP A 102 -1.119 -0.842 10.761 1.00 71.05 H new ATOM 0 HA ASP A 102 1.508 0.225 9.975 1.00 62.04 H new ATOM 0 HB2 ASP A 102 2.341 0.209 12.172 1.00 45.45 H new ATOM 0 HB3 ASP A 102 0.991 1.321 12.066 1.00 45.45 H new ATOM 1625 N LYS A 103 1.037 -2.308 9.292 1.00 11.41 N ATOM 1626 CA LYS A 103 1.212 -3.731 8.934 1.00 12.44 C ATOM 1627 C LYS A 103 2.244 -3.949 7.826 1.00 70.14 C ATOM 1628 O LYS A 103 2.827 -2.995 7.307 1.00 41.11 O ATOM 1629 CB LYS A 103 -0.131 -4.409 8.593 1.00 34.20 C ATOM 1630 CG LYS A 103 -0.688 -4.132 7.189 1.00 51.52 C ATOM 1631 CD LYS A 103 -1.409 -2.786 7.089 1.00 14.53 C ATOM 1632 CE LYS A 103 -2.915 -3.027 7.021 1.00 43.55 C ATOM 1633 NZ LYS A 103 -3.494 -3.585 8.263 1.00 73.12 N ATOM 0 H LYS A 103 0.749 -1.731 8.502 1.00 11.41 H new ATOM 0 HA LYS A 103 1.611 -4.214 9.826 1.00 12.44 H new ATOM 0 HB2 LYS A 103 -0.011 -5.486 8.709 1.00 34.20 H new ATOM 0 HB3 LYS A 103 -0.872 -4.090 9.326 1.00 34.20 H new ATOM 0 HG2 LYS A 103 0.129 -4.155 6.468 1.00 51.52 H new ATOM 0 HG3 LYS A 103 -1.378 -4.929 6.914 1.00 51.52 H new ATOM 0 HD2 LYS A 103 -1.167 -2.165 7.951 1.00 14.53 H new ATOM 0 HD3 LYS A 103 -1.075 -2.246 6.203 1.00 14.53 H new ATOM 0 HE2 LYS A 103 -3.413 -2.085 6.792 1.00 43.55 H new ATOM 0 HE3 LYS A 103 -3.126 -3.708 6.196 1.00 43.55 H new ATOM 0 HZ1 LYS A 103 -4.516 -3.394 8.286 1.00 73.12 H new ATOM 0 HZ2 LYS A 103 -3.333 -4.612 8.290 1.00 73.12 H new ATOM 0 HZ3 LYS A 103 -3.041 -3.141 9.087 1.00 73.12 H new ATOM 1647 N ARG A 104 2.434 -5.211 7.413 1.00 4.34 N ATOM 1648 CA ARG A 104 3.500 -5.594 6.503 1.00 72.54 C ATOM 1649 C ARG A 104 2.970 -6.430 5.347 1.00 61.34 C ATOM 1650 O ARG A 104 2.588 -7.578 5.539 1.00 23.44 O ATOM 1651 CB ARG A 104 4.582 -6.314 7.318 1.00 74.44 C ATOM 1652 CG ARG A 104 5.861 -6.590 6.523 1.00 13.12 C ATOM 1653 CD ARG A 104 6.868 -7.337 7.408 1.00 2.40 C ATOM 1654 NE ARG A 104 6.648 -8.789 7.350 1.00 73.14 N ATOM 1655 CZ ARG A 104 7.267 -9.756 8.028 1.00 1.24 C ATOM 1656 NH1 ARG A 104 8.256 -9.476 8.870 1.00 45.14 N ATOM 1657 NH2 ARG A 104 6.877 -11.013 7.881 1.00 22.54 N ATOM 0 H ARG A 104 1.845 -5.990 7.707 1.00 4.34 H new ATOM 0 HA ARG A 104 3.940 -4.712 6.038 1.00 72.54 H new ATOM 0 HB2 ARG A 104 4.829 -5.711 8.192 1.00 74.44 H new ATOM 0 HB3 ARG A 104 4.181 -7.258 7.686 1.00 74.44 H new ATOM 0 HG2 ARG A 104 5.630 -7.183 5.638 1.00 13.12 H new ATOM 0 HG3 ARG A 104 6.294 -5.652 6.174 1.00 13.12 H new ATOM 0 HD2 ARG A 104 7.883 -7.107 7.084 1.00 2.40 H new ATOM 0 HD3 ARG A 104 6.777 -6.993 8.438 1.00 2.40 H new ATOM 0 HE ARG A 104 5.923 -9.099 6.703 1.00 73.14 H new ATOM 0 HH11 ARG A 104 8.552 -8.509 9.005 1.00 45.14 H new ATOM 0 HH12 ARG A 104 8.719 -10.228 9.381 1.00 45.14 H new ATOM 0 HH21 ARG A 104 6.107 -11.238 7.251 1.00 22.54 H new ATOM 0 HH22 ARG A 104 7.347 -11.757 8.397 1.00 22.54 H new ATOM 1671 N LEU A 105 2.918 -5.863 4.144 1.00 34.54 N ATOM 1672 CA LEU A 105 2.422 -6.544 2.954 1.00 31.32 C ATOM 1673 C LEU A 105 3.510 -7.488 2.463 1.00 63.12 C ATOM 1674 O LEU A 105 4.680 -7.105 2.390 1.00 63.23 O ATOM 1675 CB LEU A 105 2.007 -5.545 1.861 1.00 70.44 C ATOM 1676 CG LEU A 105 0.713 -4.774 2.192 1.00 24.01 C ATOM 1677 CD1 LEU A 105 0.907 -3.750 3.311 1.00 22.13 C ATOM 1678 CD2 LEU A 105 0.093 -4.110 0.957 1.00 3.44 C ATOM 0 H LEU A 105 3.223 -4.906 3.968 1.00 34.54 H new ATOM 0 HA LEU A 105 1.525 -7.111 3.202 1.00 31.32 H new ATOM 0 HB2 LEU A 105 2.816 -4.831 1.706 1.00 70.44 H new ATOM 0 HB3 LEU A 105 1.871 -6.082 0.922 1.00 70.44 H new ATOM 0 HG LEU A 105 0.012 -5.527 2.552 1.00 24.01 H new ATOM 0 HD11 LEU A 105 -0.036 -3.237 3.502 1.00 22.13 H new ATOM 0 HD12 LEU A 105 1.233 -4.259 4.218 1.00 22.13 H new ATOM 0 HD13 LEU A 105 1.662 -3.023 3.012 1.00 22.13 H new ATOM 0 HD21 LEU A 105 -0.815 -3.581 1.246 1.00 3.44 H new ATOM 0 HD22 LEU A 105 0.804 -3.404 0.528 1.00 3.44 H new ATOM 0 HD23 LEU A 105 -0.151 -4.873 0.218 1.00 3.44 H new ATOM 1690 N GLU A 106 3.127 -8.701 2.061 1.00 61.44 N ATOM 1691 CA GLU A 106 4.069 -9.782 1.766 1.00 1.04 C ATOM 1692 C GLU A 106 3.900 -10.257 0.327 1.00 63.45 C ATOM 1693 O GLU A 106 3.664 -11.429 0.029 1.00 41.15 O ATOM 1694 CB GLU A 106 3.986 -10.894 2.822 1.00 13.31 C ATOM 1695 CG GLU A 106 5.379 -11.303 3.323 1.00 15.04 C ATOM 1696 CD GLU A 106 5.327 -12.213 4.557 1.00 72.45 C ATOM 1697 OE1 GLU A 106 4.493 -13.148 4.598 1.00 42.23 O ATOM 1698 OE2 GLU A 106 6.179 -12.017 5.459 1.00 42.11 O ATOM 0 H GLU A 106 2.150 -8.962 1.930 1.00 61.44 H new ATOM 0 HA GLU A 106 5.090 -9.407 1.835 1.00 1.04 H new ATOM 0 HB2 GLU A 106 3.382 -10.554 3.663 1.00 13.31 H new ATOM 0 HB3 GLU A 106 3.482 -11.762 2.398 1.00 13.31 H new ATOM 0 HG2 GLU A 106 5.911 -11.816 2.522 1.00 15.04 H new ATOM 0 HG3 GLU A 106 5.951 -10.407 3.563 1.00 15.04 H new ATOM 1705 N LYS A 107 4.034 -9.307 -0.596 1.00 51.34 N ATOM 1706 CA LYS A 107 3.766 -9.484 -2.017 1.00 43.02 C ATOM 1707 C LYS A 107 2.349 -9.943 -2.289 1.00 74.45 C ATOM 1708 O LYS A 107 1.511 -9.879 -1.399 1.00 63.15 O ATOM 1709 CB LYS A 107 4.815 -10.435 -2.607 1.00 13.13 C ATOM 1710 CG LYS A 107 5.236 -9.969 -4.007 1.00 40.03 C ATOM 1711 CD LYS A 107 6.265 -8.858 -3.846 1.00 13.12 C ATOM 1712 CE LYS A 107 6.322 -7.835 -4.975 1.00 14.40 C ATOM 1713 NZ LYS A 107 7.594 -7.945 -5.724 1.00 12.01 N ATOM 0 H LYS A 107 4.342 -8.363 -0.365 1.00 51.34 H new ATOM 0 HA LYS A 107 3.848 -8.517 -2.513 1.00 43.02 H new ATOM 0 HB2 LYS A 107 5.686 -10.475 -1.953 1.00 13.13 H new ATOM 0 HB3 LYS A 107 4.409 -11.445 -2.660 1.00 13.13 H new ATOM 0 HG2 LYS A 107 5.658 -10.799 -4.574 1.00 40.03 H new ATOM 0 HG3 LYS A 107 4.371 -9.609 -4.564 1.00 40.03 H new ATOM 0 HD2 LYS A 107 6.060 -8.331 -2.914 1.00 13.12 H new ATOM 0 HD3 LYS A 107 7.250 -9.313 -3.744 1.00 13.12 H new ATOM 0 HE2 LYS A 107 5.482 -7.988 -5.653 1.00 14.40 H new ATOM 0 HE3 LYS A 107 6.222 -6.830 -4.566 1.00 14.40 H new ATOM 0 HZ1 LYS A 107 7.654 -7.175 -6.420 1.00 12.01 H new ATOM 0 HZ2 LYS A 107 8.393 -7.877 -5.062 1.00 12.01 H new ATOM 0 HZ3 LYS A 107 7.629 -8.860 -6.216 1.00 12.01 H new ATOM 1727 N TYR A 108 2.007 -10.262 -3.535 1.00 24.14 N ATOM 1728 CA TYR A 108 0.698 -10.796 -3.845 1.00 60.51 C ATOM 1729 C TYR A 108 0.810 -12.299 -3.645 1.00 74.43 C ATOM 1730 O TYR A 108 1.545 -12.969 -4.373 1.00 33.32 O ATOM 1731 CB TYR A 108 0.242 -10.362 -5.244 1.00 13.24 C ATOM 1732 CG TYR A 108 -1.258 -10.398 -5.482 1.00 4.14 C ATOM 1733 CD1 TYR A 108 -2.167 -10.013 -4.476 1.00 62.33 C ATOM 1734 CD2 TYR A 108 -1.754 -10.762 -6.744 1.00 14.20 C ATOM 1735 CE1 TYR A 108 -3.549 -10.113 -4.682 1.00 31.31 C ATOM 1736 CE2 TYR A 108 -3.139 -10.791 -6.980 1.00 2.10 C ATOM 1737 CZ TYR A 108 -4.049 -10.486 -5.945 1.00 52.12 C ATOM 1738 OH TYR A 108 -5.391 -10.455 -6.166 1.00 1.31 O ATOM 0 H TYR A 108 2.623 -10.157 -4.341 1.00 24.14 H new ATOM 0 HA TYR A 108 -0.085 -10.409 -3.194 1.00 60.51 H new ATOM 0 HB2 TYR A 108 0.597 -9.347 -5.425 1.00 13.24 H new ATOM 0 HB3 TYR A 108 0.725 -11.004 -5.980 1.00 13.24 H new ATOM 0 HD1 TYR A 108 -1.794 -9.636 -3.535 1.00 62.33 H new ATOM 0 HD2 TYR A 108 -1.068 -11.021 -7.537 1.00 14.20 H new ATOM 0 HE1 TYR A 108 -4.232 -9.904 -3.872 1.00 31.31 H new ATOM 0 HE2 TYR A 108 -3.510 -11.049 -7.961 1.00 2.10 H new ATOM 0 HH TYR A 108 -5.578 -10.739 -7.085 1.00 1.31 H new ATOM 1748 N ASN A 109 0.198 -12.801 -2.574 1.00 72.12 N ATOM 1749 CA ASN A 109 0.265 -14.198 -2.147 1.00 53.32 C ATOM 1750 C ASN A 109 -0.616 -15.084 -3.046 1.00 64.41 C ATOM 1751 O ASN A 109 -1.578 -15.688 -2.580 1.00 62.12 O ATOM 1752 CB ASN A 109 -0.099 -14.282 -0.656 1.00 55.02 C ATOM 1753 CG ASN A 109 -0.045 -15.700 -0.097 1.00 55.11 C ATOM 1754 OD1 ASN A 109 -1.051 -16.216 0.376 1.00 21.01 O ATOM 1755 ND2 ASN A 109 1.121 -16.320 -0.055 1.00 54.04 N ATOM 0 H ASN A 109 -0.378 -12.227 -1.958 1.00 72.12 H new ATOM 0 HA ASN A 109 1.279 -14.583 -2.258 1.00 53.32 H new ATOM 0 HB2 ASN A 109 0.582 -13.649 -0.087 1.00 55.02 H new ATOM 0 HB3 ASN A 109 -1.102 -13.881 -0.512 1.00 55.02 H new ATOM 0 HD21 ASN A 109 1.193 -17.242 0.376 1.00 54.04 H new ATOM 0 HD22 ASN A 109 1.949 -15.877 -0.453 1.00 54.04 H new ATOM 1762 N ASP A 110 -0.222 -15.162 -4.317 1.00 12.03 N ATOM 1763 CA ASP A 110 -0.676 -16.010 -5.422 1.00 14.21 C ATOM 1764 C ASP A 110 -2.049 -15.705 -6.002 1.00 11.13 C ATOM 1765 O ASP A 110 -2.157 -15.624 -7.238 1.00 75.22 O ATOM 1766 CB ASP A 110 -0.501 -17.502 -5.132 1.00 32.21 C ATOM 1767 CG ASP A 110 -0.410 -18.231 -6.466 1.00 1.41 C ATOM 1768 OD1 ASP A 110 0.698 -18.187 -7.062 1.00 55.12 O ATOM 1769 OD2 ASP A 110 -1.405 -18.826 -6.933 1.00 14.33 O ATOM 0 H ASP A 110 0.526 -14.547 -4.639 1.00 12.03 H new ATOM 0 HA ASP A 110 0.006 -15.731 -6.225 1.00 14.21 H new ATOM 0 HB2 ASP A 110 0.399 -17.673 -4.542 1.00 32.21 H new ATOM 0 HB3 ASP A 110 -1.341 -17.878 -4.548 1.00 32.21 H new