USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=28 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= 0.687 K(o=0.61,f=-0.55) USER MOD Set 1.2: A 95 SER OG : rot -149:sc= -0.0805 USER MOD Set 2.1: A 60 SER OG : rot -173:sc= 1 USER MOD Set 2.2: A 67 LYS NZ :NH3+ -145:sc= 1.11 (180deg=0.412) USER MOD Set 3.1: A 31 TYR OH : rot 168:sc= 1.21 USER MOD Set 3.2: A 79 TYR OH : rot -133:sc= 0.522 USER MOD Set 4.1: A 30 CYS SG : rot 180:sc= 0 USER MOD Set 4.2: A 42 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 11 GLN : amide:sc= -0.487 X(o=-0.49,f=-0.13) USER MOD Set 5.2: A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 147:sc= -0.0781 (180deg=-1.18) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot -77:sc= 1.07 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.0211 K(o=0.021,f=-2.4!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -80:sc= 1.13 USER MOD Single : A 39 TYR OH : rot 95:sc= 0.257 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -52:sc= 0.876 USER MOD Single : A 64 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.22) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -109:sc= -0.489 (180deg=-2.07!) USER MOD Single : A 74 HIS : no HD1:sc= -0.799 K(o=-0.8,f=-4.2!) USER MOD Single : A 75 CYS SG : rot 40:sc= 0.249 USER MOD Single : A 76 THR OG1 : rot 180:sc=-0.00306 USER MOD Single : A 80 HIS : no HE2:sc= 0.479 K(o=0.48,f=-2.5!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : 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 -135:sc= -0.893 (180deg=-0.964) USER MOD Single : A 90 LYS NZ :NH3+ 163:sc= 1.24 (180deg=1.13) USER MOD Single : A 93 ASN : amide:sc= -1.3 K(o=-1.3,f=-4.6!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.0581 K(o=-0.058,f=-3.9!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ -172:sc= 1 (180deg=0.93) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= 0.57 K(o=0.57,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 59 N LYS A 6 16.143 -4.542 -1.292 1.00 43.13 N ATOM 60 CA LYS A 6 16.151 -3.106 -1.005 1.00 53.33 C ATOM 61 C LYS A 6 14.844 -2.477 -1.451 1.00 52.42 C ATOM 62 O LYS A 6 14.195 -2.968 -2.381 1.00 53.42 O ATOM 63 CB LYS A 6 17.285 -2.372 -1.735 1.00 50.20 C ATOM 64 CG LYS A 6 18.647 -2.515 -1.055 1.00 1.24 C ATOM 65 CD LYS A 6 19.627 -1.405 -1.470 1.00 31.45 C ATOM 66 CE LYS A 6 20.160 -1.499 -2.908 1.00 41.40 C ATOM 67 NZ LYS A 6 19.181 -1.166 -3.969 1.00 23.32 N ATOM 0 HA LYS A 6 16.294 -3.008 0.071 1.00 53.33 H new ATOM 0 HB2 LYS A 6 17.356 -2.753 -2.754 1.00 50.20 H new ATOM 0 HB3 LYS A 6 17.034 -1.314 -1.807 1.00 50.20 H new ATOM 0 HG2 LYS A 6 18.514 -2.494 0.027 1.00 1.24 H new ATOM 0 HG3 LYS A 6 19.075 -3.486 -1.304 1.00 1.24 H new ATOM 0 HD2 LYS A 6 19.132 -0.442 -1.347 1.00 31.45 H new ATOM 0 HD3 LYS A 6 20.475 -1.418 -0.785 1.00 31.45 H new ATOM 0 HE2 LYS A 6 21.017 -0.832 -3.005 1.00 41.40 H new ATOM 0 HE3 LYS A 6 20.524 -2.512 -3.078 1.00 41.40 H new ATOM 0 HZ1 LYS A 6 19.674 -0.719 -4.768 1.00 23.32 H new ATOM 0 HZ2 LYS A 6 18.712 -2.036 -4.294 1.00 23.32 H new ATOM 0 HZ3 LYS A 6 18.469 -0.509 -3.591 1.00 23.32 H new ATOM 81 N VAL A 7 14.531 -1.350 -0.811 1.00 62.31 N ATOM 82 CA VAL A 7 13.439 -0.478 -1.182 1.00 45.41 C ATOM 83 C VAL A 7 13.788 0.149 -2.527 1.00 21.24 C ATOM 84 O VAL A 7 14.843 0.765 -2.705 1.00 25.02 O ATOM 85 CB VAL A 7 13.118 0.516 -0.042 1.00 71.33 C ATOM 86 CG1 VAL A 7 14.340 1.184 0.606 1.00 73.00 C ATOM 87 CG2 VAL A 7 12.128 1.597 -0.489 1.00 73.21 C ATOM 0 H VAL A 7 15.051 -1.018 0.001 1.00 62.31 H new ATOM 0 HA VAL A 7 12.504 -1.021 -1.316 1.00 45.41 H new ATOM 0 HB VAL A 7 12.667 -0.113 0.725 1.00 71.33 H new ATOM 0 HG11 VAL A 7 14.009 1.862 1.393 1.00 73.00 H new ATOM 0 HG12 VAL A 7 14.988 0.419 1.034 1.00 73.00 H new ATOM 0 HG13 VAL A 7 14.891 1.745 -0.149 1.00 73.00 H new ATOM 0 HG21 VAL A 7 11.930 2.274 0.342 1.00 73.21 H new ATOM 0 HG22 VAL A 7 12.553 2.158 -1.321 1.00 73.21 H new ATOM 0 HG23 VAL A 7 11.196 1.128 -0.806 1.00 73.21 H new ATOM 97 N GLU A 8 12.879 -0.039 -3.469 1.00 32.43 N ATOM 98 CA GLU A 8 12.943 0.414 -4.839 1.00 74.44 C ATOM 99 C GLU A 8 11.671 1.189 -5.189 1.00 45.40 C ATOM 100 O GLU A 8 10.634 1.046 -4.537 1.00 13.34 O ATOM 101 CB GLU A 8 13.081 -0.841 -5.720 1.00 63.01 C ATOM 102 CG GLU A 8 14.540 -1.212 -5.980 1.00 50.51 C ATOM 103 CD GLU A 8 15.210 -0.121 -6.809 1.00 43.32 C ATOM 104 OE1 GLU A 8 14.823 0.081 -7.968 1.00 54.11 O ATOM 105 OE2 GLU A 8 15.991 0.667 -6.207 1.00 34.22 O ATOM 0 H GLU A 8 12.017 -0.549 -3.277 1.00 32.43 H new ATOM 0 HA GLU A 8 13.788 1.083 -4.998 1.00 74.44 H new ATOM 0 HB2 GLU A 8 12.577 -1.678 -5.237 1.00 63.01 H new ATOM 0 HB3 GLU A 8 12.577 -0.671 -6.671 1.00 63.01 H new ATOM 0 HG2 GLU A 8 15.067 -1.338 -5.034 1.00 50.51 H new ATOM 0 HG3 GLU A 8 14.594 -2.166 -6.505 1.00 50.51 H new ATOM 112 N ILE A 9 11.740 1.980 -6.259 1.00 12.31 N ATOM 113 CA ILE A 9 10.579 2.533 -6.947 1.00 51.33 C ATOM 114 C ILE A 9 9.879 1.411 -7.739 1.00 32.13 C ATOM 115 O ILE A 9 8.739 1.085 -7.401 1.00 65.54 O ATOM 116 CB ILE A 9 10.980 3.769 -7.798 1.00 22.32 C ATOM 117 CG1 ILE A 9 11.222 5.028 -6.933 1.00 74.12 C ATOM 118 CG2 ILE A 9 9.919 4.101 -8.858 1.00 44.33 C ATOM 119 CD1 ILE A 9 12.644 5.131 -6.398 1.00 2.24 C ATOM 0 H ILE A 9 12.626 2.259 -6.680 1.00 12.31 H new ATOM 0 HA ILE A 9 9.850 2.911 -6.230 1.00 51.33 H new ATOM 0 HB ILE A 9 11.913 3.493 -8.289 1.00 22.32 H new ATOM 0 HG12 ILE A 9 11.000 5.915 -7.526 1.00 74.12 H new ATOM 0 HG13 ILE A 9 10.526 5.023 -6.094 1.00 74.12 H new ATOM 0 HG21 ILE A 9 10.238 4.971 -9.432 1.00 44.33 H new ATOM 0 HG22 ILE A 9 9.796 3.250 -9.528 1.00 44.33 H new ATOM 0 HG23 ILE A 9 8.970 4.317 -8.368 1.00 44.33 H new ATOM 0 HD11 ILE A 9 12.743 6.037 -5.800 1.00 2.24 H new ATOM 0 HD12 ILE A 9 12.863 4.262 -5.778 1.00 2.24 H new ATOM 0 HD13 ILE A 9 13.345 5.168 -7.232 1.00 2.24 H new ATOM 131 N PRO A 10 10.504 0.781 -8.755 1.00 71.52 N ATOM 132 CA PRO A 10 9.823 -0.134 -9.674 1.00 64.14 C ATOM 133 C PRO A 10 9.393 -1.452 -9.027 1.00 71.44 C ATOM 134 O PRO A 10 8.681 -2.237 -9.657 1.00 2.22 O ATOM 135 CB PRO A 10 10.809 -0.378 -10.823 1.00 12.32 C ATOM 136 CG PRO A 10 12.164 -0.149 -10.162 1.00 71.50 C ATOM 137 CD PRO A 10 11.871 0.989 -9.204 1.00 73.44 C ATOM 0 HA PRO A 10 8.889 0.313 -10.014 1.00 64.14 H new ATOM 0 HB2 PRO A 10 10.720 -1.388 -11.224 1.00 12.32 H new ATOM 0 HB3 PRO A 10 10.642 0.310 -11.652 1.00 12.32 H new ATOM 0 HG2 PRO A 10 12.517 -1.039 -9.640 1.00 71.50 H new ATOM 0 HG3 PRO A 10 12.931 0.119 -10.889 1.00 71.50 H new ATOM 0 HD2 PRO A 10 12.565 0.982 -8.363 1.00 73.44 H new ATOM 0 HD3 PRO A 10 11.979 1.955 -9.698 1.00 73.44 H new ATOM 145 N GLN A 11 9.808 -1.725 -7.791 1.00 12.15 N ATOM 146 CA GLN A 11 9.340 -2.877 -7.039 1.00 73.13 C ATOM 147 C GLN A 11 7.892 -2.682 -6.567 1.00 31.32 C ATOM 148 O GLN A 11 7.205 -3.673 -6.305 1.00 65.34 O ATOM 149 CB GLN A 11 10.330 -3.112 -5.890 1.00 12.43 C ATOM 150 CG GLN A 11 10.200 -4.448 -5.156 1.00 73.53 C ATOM 151 CD GLN A 11 10.437 -5.640 -6.071 1.00 54.21 C ATOM 152 OE1 GLN A 11 9.486 -6.259 -6.546 1.00 65.10 O ATOM 153 NE2 GLN A 11 11.681 -6.000 -6.310 1.00 3.22 N ATOM 0 H GLN A 11 10.481 -1.148 -7.286 1.00 12.15 H new ATOM 0 HA GLN A 11 9.312 -3.769 -7.665 1.00 73.13 H new ATOM 0 HB2 GLN A 11 11.342 -3.035 -6.287 1.00 12.43 H new ATOM 0 HB3 GLN A 11 10.211 -2.308 -5.164 1.00 12.43 H new ATOM 0 HG2 GLN A 11 10.914 -4.478 -4.333 1.00 73.53 H new ATOM 0 HG3 GLN A 11 9.205 -4.523 -4.717 1.00 73.53 H new ATOM 0 HE21 GLN A 11 12.452 -5.470 -5.904 1.00 3.22 H new ATOM 0 HE22 GLN A 11 11.873 -6.809 -6.901 1.00 3.22 H new ATOM 162 N LEU A 12 7.409 -1.437 -6.470 1.00 73.53 N ATOM 163 CA LEU A 12 6.108 -1.148 -5.884 1.00 12.03 C ATOM 164 C LEU A 12 4.958 -1.702 -6.731 1.00 53.42 C ATOM 165 O LEU A 12 4.097 -2.359 -6.155 1.00 51.20 O ATOM 166 CB LEU A 12 5.954 0.363 -5.626 1.00 61.42 C ATOM 167 CG LEU A 12 4.606 0.717 -4.977 1.00 13.11 C ATOM 168 CD1 LEU A 12 4.537 0.276 -3.518 1.00 64.30 C ATOM 169 CD2 LEU A 12 4.333 2.217 -5.038 1.00 72.14 C ATOM 0 H LEU A 12 7.911 -0.611 -6.795 1.00 73.53 H new ATOM 0 HA LEU A 12 6.056 -1.661 -4.924 1.00 12.03 H new ATOM 0 HB2 LEU A 12 6.764 0.702 -4.980 1.00 61.42 H new ATOM 0 HB3 LEU A 12 6.051 0.901 -6.569 1.00 61.42 H new ATOM 0 HG LEU A 12 3.850 0.180 -5.549 1.00 13.11 H new ATOM 0 HD11 LEU A 12 3.567 0.547 -3.101 1.00 64.30 H new ATOM 0 HD12 LEU A 12 4.669 -0.804 -3.458 1.00 64.30 H new ATOM 0 HD13 LEU A 12 5.326 0.770 -2.951 1.00 64.30 H new ATOM 0 HD21 LEU A 12 3.372 2.431 -4.570 1.00 72.14 H new ATOM 0 HD22 LEU A 12 5.121 2.752 -4.509 1.00 72.14 H new ATOM 0 HD23 LEU A 12 4.310 2.541 -6.079 1.00 72.14 H new ATOM 181 N VAL A 13 4.953 -1.481 -8.053 1.00 23.25 N ATOM 182 CA VAL A 13 3.850 -1.756 -8.997 1.00 53.13 C ATOM 183 C VAL A 13 3.306 -3.205 -8.992 1.00 42.10 C ATOM 184 O VAL A 13 2.263 -3.493 -9.579 1.00 10.05 O ATOM 185 CB VAL A 13 4.227 -1.209 -10.397 1.00 10.01 C ATOM 186 CG1 VAL A 13 5.600 -1.674 -10.872 1.00 53.03 C ATOM 187 CG2 VAL A 13 3.212 -1.527 -11.497 1.00 13.41 C ATOM 0 H VAL A 13 5.765 -1.082 -8.524 1.00 23.25 H new ATOM 0 HA VAL A 13 2.976 -1.212 -8.639 1.00 53.13 H new ATOM 0 HB VAL A 13 4.235 -0.131 -10.239 1.00 10.01 H new ATOM 0 HG11 VAL A 13 5.804 -1.257 -11.858 1.00 53.03 H new ATOM 0 HG12 VAL A 13 6.362 -1.336 -10.170 1.00 53.03 H new ATOM 0 HG13 VAL A 13 5.616 -2.762 -10.928 1.00 53.03 H new ATOM 0 HG21 VAL A 13 3.556 -1.107 -12.442 1.00 13.41 H new ATOM 0 HG22 VAL A 13 3.110 -2.608 -11.596 1.00 13.41 H new ATOM 0 HG23 VAL A 13 2.246 -1.093 -11.237 1.00 13.41 H new ATOM 197 N GLY A 14 3.973 -4.129 -8.304 1.00 72.43 N ATOM 198 CA GLY A 14 3.441 -5.455 -8.037 1.00 45.11 C ATOM 199 C GLY A 14 2.112 -5.436 -7.272 1.00 51.34 C ATOM 200 O GLY A 14 1.621 -4.410 -6.805 1.00 53.44 O ATOM 0 H GLY A 14 4.903 -3.974 -7.915 1.00 72.43 H new ATOM 0 HA2 GLY A 14 3.300 -5.979 -8.982 1.00 45.11 H new ATOM 0 HA3 GLY A 14 4.173 -6.023 -7.464 1.00 45.11 H new ATOM 204 N LYS A 15 1.536 -6.628 -7.116 1.00 73.44 N ATOM 205 CA LYS A 15 0.294 -6.860 -6.377 1.00 30.45 C ATOM 206 C LYS A 15 0.636 -7.226 -4.930 1.00 32.54 C ATOM 207 O LYS A 15 1.602 -7.980 -4.721 1.00 51.33 O ATOM 208 CB LYS A 15 -0.466 -8.003 -7.063 1.00 25.11 C ATOM 209 CG LYS A 15 -0.958 -7.687 -8.483 1.00 25.53 C ATOM 210 CD LYS A 15 -0.892 -8.927 -9.385 1.00 24.33 C ATOM 211 CE LYS A 15 0.524 -9.094 -9.949 1.00 5.41 C ATOM 212 NZ LYS A 15 0.632 -10.250 -10.860 1.00 41.00 N ATOM 0 H LYS A 15 1.931 -7.482 -7.510 1.00 73.44 H new ATOM 0 HA LYS A 15 -0.330 -5.966 -6.369 1.00 30.45 H new ATOM 0 HB2 LYS A 15 0.182 -8.878 -7.104 1.00 25.11 H new ATOM 0 HB3 LYS A 15 -1.325 -8.271 -6.447 1.00 25.11 H new ATOM 0 HG2 LYS A 15 -1.983 -7.319 -8.441 1.00 25.53 H new ATOM 0 HG3 LYS A 15 -0.350 -6.890 -8.912 1.00 25.53 H new ATOM 0 HD2 LYS A 15 -1.173 -9.814 -8.818 1.00 24.33 H new ATOM 0 HD3 LYS A 15 -1.608 -8.831 -10.201 1.00 24.33 H new ATOM 0 HE2 LYS A 15 0.810 -8.187 -10.481 1.00 5.41 H new ATOM 0 HE3 LYS A 15 1.228 -9.216 -9.126 1.00 5.41 H new ATOM 0 HZ1 LYS A 15 1.607 -10.322 -11.216 1.00 41.00 H new ATOM 0 HZ2 LYS A 15 0.385 -11.120 -10.347 1.00 41.00 H new ATOM 0 HZ3 LYS A 15 -0.020 -10.123 -11.660 1.00 41.00 H new ATOM 226 N TRP A 16 -0.150 -6.762 -3.954 1.00 33.23 N ATOM 227 CA TRP A 16 0.145 -6.835 -2.527 1.00 62.11 C ATOM 228 C TRP A 16 -1.101 -7.153 -1.689 1.00 31.54 C ATOM 229 O TRP A 16 -2.046 -6.360 -1.646 1.00 33.52 O ATOM 230 CB TRP A 16 0.717 -5.486 -2.095 1.00 21.35 C ATOM 231 CG TRP A 16 2.011 -5.098 -2.705 1.00 13.21 C ATOM 232 CD1 TRP A 16 2.163 -4.386 -3.838 1.00 11.03 C ATOM 233 CD2 TRP A 16 3.344 -5.397 -2.223 1.00 4.25 C ATOM 234 NE1 TRP A 16 3.507 -4.229 -4.099 1.00 71.53 N ATOM 235 CE2 TRP A 16 4.284 -4.844 -3.138 1.00 24.41 C ATOM 236 CE3 TRP A 16 3.839 -6.093 -1.101 1.00 41.31 C ATOM 237 CZ2 TRP A 16 5.663 -4.993 -2.950 1.00 62.30 C ATOM 238 CZ3 TRP A 16 5.220 -6.256 -0.907 1.00 34.13 C ATOM 239 CH2 TRP A 16 6.126 -5.705 -1.829 1.00 31.22 C ATOM 0 H TRP A 16 -1.043 -6.308 -4.148 1.00 33.23 H new ATOM 0 HA TRP A 16 0.857 -7.643 -2.361 1.00 62.11 H new ATOM 0 HB2 TRP A 16 -0.016 -4.713 -2.326 1.00 21.35 H new ATOM 0 HB3 TRP A 16 0.838 -5.496 -1.012 1.00 21.35 H new ATOM 0 HD1 TRP A 16 1.359 -3.999 -4.446 1.00 11.03 H new ATOM 0 HE1 TRP A 16 3.881 -3.722 -4.901 1.00 71.53 H new ATOM 0 HE3 TRP A 16 3.147 -6.506 -0.382 1.00 41.31 H new ATOM 0 HZ2 TRP A 16 6.361 -4.567 -3.655 1.00 62.30 H new ATOM 0 HZ3 TRP A 16 5.585 -6.804 -0.051 1.00 34.13 H new ATOM 0 HH2 TRP A 16 7.188 -5.829 -1.675 1.00 31.22 H new ATOM 250 N ILE A 17 -1.090 -8.278 -0.959 1.00 53.34 N ATOM 251 CA ILE A 17 -2.172 -8.638 -0.042 1.00 13.21 C ATOM 252 C ILE A 17 -2.014 -7.798 1.238 1.00 25.23 C ATOM 253 O ILE A 17 -0.881 -7.574 1.666 1.00 54.02 O ATOM 254 CB ILE A 17 -2.100 -10.167 0.223 1.00 74.11 C ATOM 255 CG1 ILE A 17 -3.465 -10.763 0.616 1.00 74.24 C ATOM 256 CG2 ILE A 17 -1.075 -10.610 1.283 1.00 54.31 C ATOM 257 CD1 ILE A 17 -4.189 -11.284 -0.624 1.00 61.12 C ATOM 0 H ILE A 17 -0.332 -8.959 -0.990 1.00 53.34 H new ATOM 0 HA ILE A 17 -3.157 -8.425 -0.458 1.00 13.21 H new ATOM 0 HB ILE A 17 -1.768 -10.553 -0.741 1.00 74.11 H new ATOM 0 HG12 ILE A 17 -3.324 -11.573 1.331 1.00 74.24 H new ATOM 0 HG13 ILE A 17 -4.073 -10.005 1.109 1.00 74.24 H new ATOM 0 HG21 ILE A 17 -1.107 -11.694 1.389 1.00 54.31 H new ATOM 0 HG22 ILE A 17 -0.076 -10.305 0.972 1.00 54.31 H new ATOM 0 HG23 ILE A 17 -1.316 -10.144 2.239 1.00 54.31 H new ATOM 0 HD11 ILE A 17 -5.152 -11.703 -0.334 1.00 61.12 H new ATOM 0 HD12 ILE A 17 -4.346 -10.464 -1.325 1.00 61.12 H new ATOM 0 HD13 ILE A 17 -3.586 -12.057 -1.100 1.00 61.12 H new ATOM 269 N VAL A 18 -3.105 -7.410 1.909 1.00 2.32 N ATOM 270 CA VAL A 18 -3.084 -6.773 3.241 1.00 13.25 C ATOM 271 C VAL A 18 -3.465 -7.797 4.324 1.00 11.15 C ATOM 272 O VAL A 18 -3.948 -7.461 5.406 1.00 32.15 O ATOM 273 CB VAL A 18 -3.987 -5.511 3.235 1.00 25.31 C ATOM 274 CG1 VAL A 18 -3.974 -4.719 4.556 1.00 63.43 C ATOM 275 CG2 VAL A 18 -3.560 -4.521 2.153 1.00 21.13 C ATOM 0 H VAL A 18 -4.048 -7.530 1.538 1.00 2.32 H new ATOM 0 HA VAL A 18 -2.076 -6.434 3.482 1.00 13.25 H new ATOM 0 HB VAL A 18 -4.985 -5.912 3.059 1.00 25.31 H new ATOM 0 HG11 VAL A 18 -4.630 -3.853 4.468 1.00 63.43 H new ATOM 0 HG12 VAL A 18 -4.324 -5.358 5.367 1.00 63.43 H new ATOM 0 HG13 VAL A 18 -2.959 -4.384 4.770 1.00 63.43 H new ATOM 0 HG21 VAL A 18 -4.214 -3.650 2.178 1.00 21.13 H new ATOM 0 HG22 VAL A 18 -2.531 -4.208 2.332 1.00 21.13 H new ATOM 0 HG23 VAL A 18 -3.629 -4.998 1.175 1.00 21.13 H new ATOM 285 N LYS A 19 -3.324 -9.082 4.021 1.00 2.42 N ATOM 286 CA LYS A 19 -3.799 -10.175 4.880 1.00 2.12 C ATOM 287 C LYS A 19 -2.730 -10.566 5.908 1.00 45.31 C ATOM 288 O LYS A 19 -2.597 -11.737 6.240 1.00 52.02 O ATOM 289 CB LYS A 19 -4.344 -11.354 4.037 1.00 53.00 C ATOM 290 CG LYS A 19 -5.225 -12.282 4.897 1.00 52.12 C ATOM 291 CD LYS A 19 -6.055 -13.319 4.123 1.00 1.11 C ATOM 292 CE LYS A 19 -5.319 -14.647 3.930 1.00 62.21 C ATOM 293 NZ LYS A 19 -6.185 -15.654 3.285 1.00 3.23 N ATOM 0 H LYS A 19 -2.873 -9.404 3.165 1.00 2.42 H new ATOM 0 HA LYS A 19 -4.651 -9.828 5.465 1.00 2.12 H new ATOM 0 HB2 LYS A 19 -4.924 -10.969 3.198 1.00 53.00 H new ATOM 0 HB3 LYS A 19 -3.513 -11.921 3.617 1.00 53.00 H new ATOM 0 HG2 LYS A 19 -4.584 -12.810 5.602 1.00 52.12 H new ATOM 0 HG3 LYS A 19 -5.905 -11.665 5.485 1.00 52.12 H new ATOM 0 HD2 LYS A 19 -6.988 -13.501 4.656 1.00 1.11 H new ATOM 0 HD3 LYS A 19 -6.319 -12.911 3.148 1.00 1.11 H new ATOM 0 HE2 LYS A 19 -4.429 -14.486 3.321 1.00 62.21 H new ATOM 0 HE3 LYS A 19 -4.981 -15.021 4.896 1.00 62.21 H new ATOM 0 HZ1 LYS A 19 -5.657 -16.542 3.168 1.00 3.23 H new ATOM 0 HZ2 LYS A 19 -7.022 -15.824 3.879 1.00 3.23 H new ATOM 0 HZ3 LYS A 19 -6.487 -15.306 2.353 1.00 3.23 H new ATOM 307 N GLU A 20 -1.935 -9.618 6.399 1.00 22.42 N ATOM 308 CA GLU A 20 -0.963 -9.914 7.449 1.00 65.24 C ATOM 309 C GLU A 20 -0.644 -8.607 8.192 1.00 15.32 C ATOM 310 O GLU A 20 -0.025 -7.716 7.606 1.00 14.24 O ATOM 311 CB GLU A 20 0.281 -10.589 6.828 1.00 43.42 C ATOM 312 CG GLU A 20 0.548 -12.035 7.284 1.00 12.22 C ATOM 313 CD GLU A 20 0.929 -12.230 8.758 1.00 22.42 C ATOM 314 OE1 GLU A 20 0.530 -11.433 9.642 1.00 70.14 O ATOM 315 OE2 GLU A 20 1.587 -13.262 9.045 1.00 43.21 O ATOM 0 H GLU A 20 -1.944 -8.646 6.090 1.00 22.42 H new ATOM 0 HA GLU A 20 -1.361 -10.620 8.178 1.00 65.24 H new ATOM 0 HB2 GLU A 20 0.173 -10.583 5.743 1.00 43.42 H new ATOM 0 HB3 GLU A 20 1.157 -9.985 7.064 1.00 43.42 H new ATOM 0 HG2 GLU A 20 -0.345 -12.627 7.081 1.00 12.22 H new ATOM 0 HG3 GLU A 20 1.348 -12.445 6.668 1.00 12.22 H new ATOM 322 N PRO A 21 -1.091 -8.416 9.446 1.00 75.31 N ATOM 323 CA PRO A 21 -2.147 -9.179 10.106 1.00 63.44 C ATOM 324 C PRO A 21 -3.477 -9.148 9.328 1.00 73.31 C ATOM 325 O PRO A 21 -3.674 -8.329 8.428 1.00 52.33 O ATOM 326 CB PRO A 21 -2.311 -8.544 11.489 1.00 44.12 C ATOM 327 CG PRO A 21 -1.035 -7.741 11.718 1.00 1.34 C ATOM 328 CD PRO A 21 -0.583 -7.369 10.313 1.00 43.30 C ATOM 0 HA PRO A 21 -1.875 -10.233 10.165 1.00 63.44 H new ATOM 0 HB2 PRO A 21 -3.191 -7.902 11.525 1.00 44.12 H new ATOM 0 HB3 PRO A 21 -2.440 -9.305 12.258 1.00 44.12 H new ATOM 0 HG2 PRO A 21 -1.223 -6.856 12.325 1.00 1.34 H new ATOM 0 HG3 PRO A 21 -0.280 -8.330 12.238 1.00 1.34 H new ATOM 0 HD2 PRO A 21 -0.975 -6.395 10.021 1.00 43.30 H new ATOM 0 HD3 PRO A 21 0.504 -7.306 10.255 1.00 43.30 H new ATOM 336 N VAL A 22 -4.409 -10.039 9.656 1.00 22.24 N ATOM 337 CA VAL A 22 -5.750 -10.086 9.065 1.00 0.11 C ATOM 338 C VAL A 22 -6.629 -8.968 9.668 1.00 53.41 C ATOM 339 O VAL A 22 -6.255 -8.349 10.674 1.00 51.54 O ATOM 340 CB VAL A 22 -6.333 -11.512 9.226 1.00 33.32 C ATOM 341 CG1 VAL A 22 -7.578 -11.727 8.353 1.00 52.04 C ATOM 342 CG2 VAL A 22 -5.302 -12.570 8.800 1.00 43.04 C ATOM 0 H VAL A 22 -4.253 -10.765 10.355 1.00 22.24 H new ATOM 0 HA VAL A 22 -5.713 -9.889 7.994 1.00 0.11 H new ATOM 0 HB VAL A 22 -6.595 -11.615 10.279 1.00 33.32 H new ATOM 0 HG11 VAL A 22 -7.953 -12.740 8.498 1.00 52.04 H new ATOM 0 HG12 VAL A 22 -8.349 -11.011 8.636 1.00 52.04 H new ATOM 0 HG13 VAL A 22 -7.317 -11.583 7.305 1.00 52.04 H new ATOM 0 HG21 VAL A 22 -5.731 -13.565 8.921 1.00 43.04 H new ATOM 0 HG22 VAL A 22 -5.032 -12.415 7.755 1.00 43.04 H new ATOM 0 HG23 VAL A 22 -4.411 -12.481 9.422 1.00 43.04 H new ATOM 352 N LEU A 23 -7.776 -8.665 9.042 1.00 3.41 N ATOM 353 CA LEU A 23 -8.710 -7.627 9.479 1.00 72.54 C ATOM 354 C LEU A 23 -9.830 -8.226 10.329 1.00 20.42 C ATOM 355 O LEU A 23 -10.099 -9.431 10.286 1.00 72.34 O ATOM 356 CB LEU A 23 -9.329 -6.860 8.293 1.00 75.34 C ATOM 357 CG LEU A 23 -8.354 -6.344 7.219 1.00 54.45 C ATOM 358 CD1 LEU A 23 -9.123 -5.565 6.144 1.00 64.42 C ATOM 359 CD2 LEU A 23 -7.252 -5.449 7.794 1.00 3.32 C ATOM 0 H LEU A 23 -8.083 -9.149 8.198 1.00 3.41 H new ATOM 0 HA LEU A 23 -8.131 -6.922 10.076 1.00 72.54 H new ATOM 0 HB2 LEU A 23 -10.055 -7.512 7.808 1.00 75.34 H new ATOM 0 HB3 LEU A 23 -9.881 -6.008 8.690 1.00 75.34 H new ATOM 0 HG LEU A 23 -7.873 -7.222 6.787 1.00 54.45 H new ATOM 0 HD11 LEU A 23 -8.426 -5.203 5.388 1.00 64.42 H new ATOM 0 HD12 LEU A 23 -9.858 -6.220 5.676 1.00 64.42 H new ATOM 0 HD13 LEU A 23 -9.632 -4.718 6.603 1.00 64.42 H new ATOM 0 HD21 LEU A 23 -6.596 -5.116 6.989 1.00 3.32 H new ATOM 0 HD22 LEU A 23 -7.703 -4.582 8.277 1.00 3.32 H new ATOM 0 HD23 LEU A 23 -6.672 -6.011 8.526 1.00 3.32 H new ATOM 371 N GLN A 24 -10.514 -7.347 11.057 1.00 22.11 N ATOM 372 CA GLN A 24 -11.787 -7.627 11.710 1.00 33.22 C ATOM 373 C GLN A 24 -12.923 -7.713 10.680 1.00 43.21 C ATOM 374 O GLN A 24 -12.730 -7.396 9.505 1.00 23.54 O ATOM 375 CB GLN A 24 -12.084 -6.548 12.765 1.00 55.13 C ATOM 376 CG GLN A 24 -12.176 -5.148 12.145 1.00 55.12 C ATOM 377 CD GLN A 24 -13.345 -4.338 12.684 1.00 54.11 C ATOM 378 OE1 GLN A 24 -13.408 -4.021 13.867 1.00 55.34 O ATOM 379 NE2 GLN A 24 -14.289 -3.959 11.848 1.00 33.42 N ATOM 0 H GLN A 24 -10.187 -6.393 11.212 1.00 22.11 H new ATOM 0 HA GLN A 24 -11.718 -8.594 12.209 1.00 33.22 H new ATOM 0 HB2 GLN A 24 -13.021 -6.783 13.270 1.00 55.13 H new ATOM 0 HB3 GLN A 24 -11.302 -6.558 13.524 1.00 55.13 H new ATOM 0 HG2 GLN A 24 -11.248 -4.609 12.337 1.00 55.12 H new ATOM 0 HG3 GLN A 24 -12.273 -5.241 11.063 1.00 55.12 H new ATOM 0 HE21 GLN A 24 -14.235 -4.223 10.864 1.00 33.42 H new ATOM 0 HE22 GLN A 24 -15.074 -3.401 12.184 1.00 33.42 H new ATOM 388 N ASP A 25 -14.123 -8.064 11.153 1.00 52.12 N ATOM 389 CA ASP A 25 -15.396 -8.137 10.420 1.00 13.03 C ATOM 390 C ASP A 25 -15.359 -9.030 9.174 1.00 72.23 C ATOM 391 O ASP A 25 -16.285 -9.045 8.365 1.00 52.34 O ATOM 392 CB ASP A 25 -15.959 -6.744 10.134 1.00 53.23 C ATOM 393 CG ASP A 25 -17.435 -6.805 9.731 1.00 42.12 C ATOM 394 OD1 ASP A 25 -18.228 -7.514 10.393 1.00 73.23 O ATOM 395 OD2 ASP A 25 -17.858 -6.034 8.841 1.00 53.24 O ATOM 0 H ASP A 25 -14.241 -8.325 12.132 1.00 52.12 H new ATOM 0 HA ASP A 25 -16.093 -8.642 11.089 1.00 13.03 H new ATOM 0 HB2 ASP A 25 -15.848 -6.117 11.019 1.00 53.23 H new ATOM 0 HB3 ASP A 25 -15.383 -6.274 9.337 1.00 53.23 H new ATOM 400 N ASP A 26 -14.296 -9.820 9.060 1.00 24.32 N ATOM 401 CA ASP A 26 -13.990 -10.791 8.024 1.00 23.11 C ATOM 402 C ASP A 26 -14.063 -10.132 6.653 1.00 10.02 C ATOM 403 O ASP A 26 -14.929 -10.397 5.806 1.00 33.23 O ATOM 404 CB ASP A 26 -14.784 -12.084 8.251 1.00 25.21 C ATOM 405 CG ASP A 26 -14.271 -12.851 9.478 1.00 3.42 C ATOM 406 OD1 ASP A 26 -13.355 -12.394 10.201 1.00 50.45 O ATOM 407 OD2 ASP A 26 -14.815 -13.951 9.742 1.00 10.33 O ATOM 0 H ASP A 26 -13.557 -9.790 9.762 1.00 24.32 H new ATOM 0 HA ASP A 26 -12.957 -11.135 8.076 1.00 23.11 H new ATOM 0 HB2 ASP A 26 -15.839 -11.846 8.385 1.00 25.21 H new ATOM 0 HB3 ASP A 26 -14.710 -12.718 7.367 1.00 25.21 H new ATOM 412 N PHE A 27 -13.090 -9.241 6.478 1.00 52.04 N ATOM 413 CA PHE A 27 -12.751 -8.479 5.302 1.00 11.12 C ATOM 414 C PHE A 27 -11.266 -8.684 5.033 1.00 5.31 C ATOM 415 O PHE A 27 -10.491 -8.975 5.944 1.00 1.21 O ATOM 416 CB PHE A 27 -13.047 -6.995 5.577 1.00 50.43 C ATOM 417 CG PHE A 27 -14.391 -6.548 5.056 1.00 70.34 C ATOM 418 CD1 PHE A 27 -14.551 -6.379 3.673 1.00 34.13 C ATOM 419 CD2 PHE A 27 -15.473 -6.307 5.920 1.00 41.25 C ATOM 420 CE1 PHE A 27 -15.783 -5.972 3.145 1.00 72.22 C ATOM 421 CE2 PHE A 27 -16.707 -5.896 5.387 1.00 35.12 C ATOM 422 CZ PHE A 27 -16.868 -5.742 3.999 1.00 64.45 C ATOM 0 H PHE A 27 -12.458 -9.019 7.247 1.00 52.04 H new ATOM 0 HA PHE A 27 -13.331 -8.799 4.436 1.00 11.12 H new ATOM 0 HB2 PHE A 27 -13.004 -6.816 6.651 1.00 50.43 H new ATOM 0 HB3 PHE A 27 -12.267 -6.385 5.121 1.00 50.43 H new ATOM 0 HD1 PHE A 27 -13.718 -6.564 3.010 1.00 34.13 H new ATOM 0 HD2 PHE A 27 -15.357 -6.437 6.986 1.00 41.25 H new ATOM 0 HE1 PHE A 27 -15.896 -5.836 2.080 1.00 72.22 H new ATOM 0 HE2 PHE A 27 -17.537 -5.697 6.048 1.00 35.12 H new ATOM 0 HZ PHE A 27 -17.825 -5.448 3.593 1.00 64.45 H new ATOM 432 N VAL A 28 -10.855 -8.467 3.788 1.00 53.13 N ATOM 433 CA VAL A 28 -9.470 -8.286 3.406 1.00 50.33 C ATOM 434 C VAL A 28 -9.393 -7.189 2.338 1.00 64.23 C ATOM 435 O VAL A 28 -10.426 -6.769 1.794 1.00 45.21 O ATOM 436 CB VAL A 28 -8.837 -9.620 2.949 1.00 12.20 C ATOM 437 CG1 VAL A 28 -8.714 -10.634 4.089 1.00 45.02 C ATOM 438 CG2 VAL A 28 -9.577 -10.293 1.786 1.00 72.32 C ATOM 0 H VAL A 28 -11.499 -8.412 2.999 1.00 53.13 H new ATOM 0 HA VAL A 28 -8.883 -7.964 4.266 1.00 50.33 H new ATOM 0 HB VAL A 28 -7.845 -9.329 2.604 1.00 12.20 H new ATOM 0 HG11 VAL A 28 -8.263 -11.552 3.712 1.00 45.02 H new ATOM 0 HG12 VAL A 28 -8.087 -10.220 4.879 1.00 45.02 H new ATOM 0 HG13 VAL A 28 -9.704 -10.853 4.489 1.00 45.02 H new ATOM 0 HG21 VAL A 28 -9.073 -11.223 1.523 1.00 72.32 H new ATOM 0 HG22 VAL A 28 -10.603 -10.509 2.084 1.00 72.32 H new ATOM 0 HG23 VAL A 28 -9.582 -9.627 0.924 1.00 72.32 H new ATOM 448 N THR A 29 -8.172 -6.749 2.029 1.00 10.10 N ATOM 449 CA THR A 29 -7.864 -5.806 0.964 1.00 33.54 C ATOM 450 C THR A 29 -6.647 -6.325 0.199 1.00 42.13 C ATOM 451 O THR A 29 -5.821 -7.079 0.731 1.00 22.52 O ATOM 452 CB THR A 29 -7.650 -4.406 1.578 1.00 45.05 C ATOM 453 OG1 THR A 29 -8.898 -3.870 1.955 1.00 24.50 O ATOM 454 CG2 THR A 29 -6.985 -3.382 0.648 1.00 5.04 C ATOM 0 H THR A 29 -7.342 -7.055 2.536 1.00 10.10 H new ATOM 0 HA THR A 29 -8.684 -5.715 0.251 1.00 33.54 H new ATOM 0 HB THR A 29 -6.975 -4.566 2.419 1.00 45.05 H new ATOM 0 HG1 THR A 29 -9.368 -3.544 1.159 1.00 24.50 H new ATOM 0 HG21 THR A 29 -6.879 -2.431 1.170 1.00 5.04 H new ATOM 0 HG22 THR A 29 -6.001 -3.745 0.351 1.00 5.04 H new ATOM 0 HG23 THR A 29 -7.602 -3.241 -0.239 1.00 5.04 H new ATOM 462 N CYS A 30 -6.534 -5.886 -1.052 1.00 71.24 N ATOM 463 CA CYS A 30 -5.354 -5.979 -1.889 1.00 32.31 C ATOM 464 C CYS A 30 -5.078 -4.545 -2.354 1.00 4.24 C ATOM 465 O CYS A 30 -6.037 -3.813 -2.625 1.00 22.43 O ATOM 466 CB CYS A 30 -5.645 -6.907 -3.078 1.00 10.30 C ATOM 467 SG CYS A 30 -6.331 -8.501 -2.547 1.00 34.25 S ATOM 0 H CYS A 30 -7.311 -5.431 -1.530 1.00 71.24 H new ATOM 0 HA CYS A 30 -4.492 -6.393 -1.366 1.00 32.31 H new ATOM 0 HB2 CYS A 30 -6.346 -6.419 -3.755 1.00 10.30 H new ATOM 0 HB3 CYS A 30 -4.726 -7.077 -3.638 1.00 10.30 H new ATOM 0 HG CYS A 30 -6.559 -9.244 -3.589 1.00 34.25 H new ATOM 473 N TYR A 31 -3.808 -4.145 -2.440 1.00 14.11 N ATOM 474 CA TYR A 31 -3.391 -2.889 -3.056 1.00 42.32 C ATOM 475 C TYR A 31 -2.599 -3.258 -4.307 1.00 43.05 C ATOM 476 O TYR A 31 -1.635 -4.027 -4.228 1.00 65.53 O ATOM 477 CB TYR A 31 -2.515 -2.029 -2.122 1.00 41.15 C ATOM 478 CG TYR A 31 -3.216 -1.174 -1.071 1.00 5.33 C ATOM 479 CD1 TYR A 31 -3.756 -1.798 0.060 1.00 41.44 C ATOM 480 CD2 TYR A 31 -3.254 0.238 -1.150 1.00 65.22 C ATOM 481 CE1 TYR A 31 -4.326 -1.041 1.100 1.00 72.34 C ATOM 482 CE2 TYR A 31 -3.839 1.004 -0.120 1.00 4.21 C ATOM 483 CZ TYR A 31 -4.372 0.364 1.022 1.00 40.05 C ATOM 484 OH TYR A 31 -4.932 1.053 2.058 1.00 74.34 O ATOM 0 H TYR A 31 -3.030 -4.695 -2.077 1.00 14.11 H new ATOM 0 HA TYR A 31 -4.272 -2.290 -3.284 1.00 42.32 H new ATOM 0 HB2 TYR A 31 -1.824 -2.695 -1.605 1.00 41.15 H new ATOM 0 HB3 TYR A 31 -1.913 -1.367 -2.744 1.00 41.15 H new ATOM 0 HD1 TYR A 31 -3.735 -2.875 0.135 1.00 41.44 H new ATOM 0 HD2 TYR A 31 -2.830 0.736 -2.010 1.00 65.22 H new ATOM 0 HE1 TYR A 31 -4.732 -1.542 1.966 1.00 72.34 H new ATOM 0 HE2 TYR A 31 -3.880 2.080 -0.204 1.00 4.21 H new ATOM 0 HH TYR A 31 -4.727 2.007 1.966 1.00 74.34 H new ATOM 494 N THR A 32 -2.981 -2.683 -5.444 1.00 25.40 N ATOM 495 CA THR A 32 -2.233 -2.760 -6.687 1.00 4.43 C ATOM 496 C THR A 32 -1.826 -1.337 -7.035 1.00 25.31 C ATOM 497 O THR A 32 -2.688 -0.481 -7.243 1.00 54.03 O ATOM 498 CB THR A 32 -3.083 -3.398 -7.791 1.00 32.52 C ATOM 499 OG1 THR A 32 -3.804 -4.503 -7.274 1.00 31.20 O ATOM 500 CG2 THR A 32 -2.167 -3.887 -8.915 1.00 31.52 C ATOM 0 H THR A 32 -3.840 -2.139 -5.524 1.00 25.40 H new ATOM 0 HA THR A 32 -1.350 -3.391 -6.584 1.00 4.43 H new ATOM 0 HB THR A 32 -3.784 -2.655 -8.172 1.00 32.52 H new ATOM 0 HG1 THR A 32 -4.345 -4.903 -7.987 1.00 31.20 H new ATOM 0 HG21 THR A 32 -2.768 -4.342 -9.702 1.00 31.52 H new ATOM 0 HG22 THR A 32 -1.611 -3.043 -9.324 1.00 31.52 H new ATOM 0 HG23 THR A 32 -1.468 -4.625 -8.520 1.00 31.52 H new ATOM 508 N PHE A 33 -0.535 -1.026 -6.999 1.00 32.43 N ATOM 509 CA PHE A 33 -0.053 0.290 -7.408 1.00 43.41 C ATOM 510 C PHE A 33 0.147 0.258 -8.926 1.00 44.45 C ATOM 511 O PHE A 33 -0.057 -0.782 -9.556 1.00 34.32 O ATOM 512 CB PHE A 33 1.191 0.651 -6.592 1.00 24.33 C ATOM 513 CG PHE A 33 0.957 0.464 -5.105 1.00 42.05 C ATOM 514 CD1 PHE A 33 0.270 1.454 -4.382 1.00 74.53 C ATOM 515 CD2 PHE A 33 1.294 -0.754 -4.482 1.00 43.10 C ATOM 516 CE1 PHE A 33 -0.120 1.207 -3.057 1.00 71.34 C ATOM 517 CE2 PHE A 33 0.912 -0.994 -3.152 1.00 42.01 C ATOM 518 CZ PHE A 33 0.188 -0.019 -2.446 1.00 4.24 C ATOM 0 H PHE A 33 0.197 -1.666 -6.691 1.00 32.43 H new ATOM 0 HA PHE A 33 -0.766 1.088 -7.201 1.00 43.41 H new ATOM 0 HB2 PHE A 33 2.028 0.030 -6.910 1.00 24.33 H new ATOM 0 HB3 PHE A 33 1.469 1.686 -6.790 1.00 24.33 H new ATOM 0 HD1 PHE A 33 0.043 2.403 -4.845 1.00 74.53 H new ATOM 0 HD2 PHE A 33 1.847 -1.504 -5.028 1.00 43.10 H new ATOM 0 HE1 PHE A 33 -0.659 1.963 -2.505 1.00 71.34 H new ATOM 0 HE2 PHE A 33 1.174 -1.926 -2.673 1.00 42.01 H new ATOM 0 HZ PHE A 33 -0.132 -0.213 -1.433 1.00 4.24 H new ATOM 528 N ASN A 34 0.465 1.381 -9.569 1.00 53.13 N ATOM 529 CA ASN A 34 0.759 1.412 -11.002 1.00 4.00 C ATOM 530 C ASN A 34 2.073 2.147 -11.204 1.00 44.35 C ATOM 531 O ASN A 34 2.463 2.974 -10.383 1.00 61.23 O ATOM 532 CB ASN A 34 -0.332 2.111 -11.829 1.00 13.22 C ATOM 533 CG ASN A 34 -1.672 1.401 -11.999 1.00 65.32 C ATOM 534 OD1 ASN A 34 -2.471 1.857 -12.805 1.00 71.33 O ATOM 535 ND2 ASN A 34 -1.966 0.294 -11.343 1.00 63.33 N ATOM 0 H ASN A 34 0.526 2.292 -9.114 1.00 53.13 H new ATOM 0 HA ASN A 34 0.810 0.380 -11.349 1.00 4.00 H new ATOM 0 HB2 ASN A 34 -0.525 3.082 -11.373 1.00 13.22 H new ATOM 0 HB3 ASN A 34 0.073 2.300 -12.823 1.00 13.22 H new ATOM 0 HD21 ASN A 34 -2.856 -0.176 -11.509 1.00 63.33 H new ATOM 0 HD22 ASN A 34 -1.304 -0.091 -10.670 1.00 63.33 H new ATOM 542 N ALA A 35 2.720 1.887 -12.339 1.00 11.24 N ATOM 543 CA ALA A 35 4.064 2.346 -12.659 1.00 63.12 C ATOM 544 C ALA A 35 4.215 3.870 -12.784 1.00 33.10 C ATOM 545 O ALA A 35 5.352 4.355 -12.789 1.00 30.12 O ATOM 546 CB ALA A 35 4.452 1.689 -13.975 1.00 32.42 C ATOM 0 H ALA A 35 2.304 1.330 -13.086 1.00 11.24 H new ATOM 0 HA ALA A 35 4.714 2.067 -11.830 1.00 63.12 H new ATOM 0 HB1 ALA A 35 5.457 2.005 -14.257 1.00 32.42 H new ATOM 0 HB2 ALA A 35 4.431 0.605 -13.861 1.00 32.42 H new ATOM 0 HB3 ALA A 35 3.747 1.986 -14.752 1.00 32.42 H new ATOM 552 N ASP A 36 3.103 4.602 -12.932 1.00 4.01 N ATOM 553 CA ASP A 36 2.932 5.950 -12.365 1.00 63.51 C ATOM 554 C ASP A 36 1.488 6.469 -12.403 1.00 63.11 C ATOM 555 O ASP A 36 1.201 7.526 -11.850 1.00 74.11 O ATOM 556 CB ASP A 36 3.867 7.008 -12.990 1.00 64.43 C ATOM 557 CG ASP A 36 4.615 7.862 -11.956 1.00 31.32 C ATOM 558 OD1 ASP A 36 4.410 7.697 -10.728 1.00 4.40 O ATOM 559 OD2 ASP A 36 5.466 8.674 -12.384 1.00 33.31 O ATOM 0 H ASP A 36 2.289 4.274 -13.452 1.00 4.01 H new ATOM 0 HA ASP A 36 3.213 5.812 -11.321 1.00 63.51 H new ATOM 0 HB2 ASP A 36 4.595 6.505 -13.627 1.00 64.43 H new ATOM 0 HB3 ASP A 36 3.280 7.664 -13.633 1.00 64.43 H new ATOM 564 N LYS A 37 0.561 5.754 -13.057 1.00 12.11 N ATOM 565 CA LYS A 37 -0.811 6.200 -13.315 1.00 4.12 C ATOM 566 C LYS A 37 -1.547 6.621 -12.042 1.00 3.33 C ATOM 567 O LYS A 37 -2.046 7.742 -11.963 1.00 52.42 O ATOM 568 CB LYS A 37 -1.561 5.147 -14.103 1.00 44.14 C ATOM 569 CG LYS A 37 -2.936 5.712 -14.482 1.00 14.30 C ATOM 570 CD LYS A 37 -3.767 4.618 -15.105 1.00 13.02 C ATOM 571 CE LYS A 37 -3.492 4.449 -16.601 1.00 5.22 C ATOM 572 NZ LYS A 37 -4.637 3.852 -17.313 1.00 43.05 N ATOM 0 H LYS A 37 0.753 4.824 -13.430 1.00 12.11 H new ATOM 0 HA LYS A 37 -0.761 7.103 -13.923 1.00 4.12 H new ATOM 0 HB2 LYS A 37 -1.003 4.875 -14.999 1.00 44.14 H new ATOM 0 HB3 LYS A 37 -1.674 4.239 -13.510 1.00 44.14 H new ATOM 0 HG2 LYS A 37 -3.437 6.107 -13.598 1.00 14.30 H new ATOM 0 HG3 LYS A 37 -2.822 6.541 -15.180 1.00 14.30 H new ATOM 0 HD2 LYS A 37 -3.564 3.677 -14.594 1.00 13.02 H new ATOM 0 HD3 LYS A 37 -4.824 4.840 -14.957 1.00 13.02 H new ATOM 0 HE2 LYS A 37 -3.261 5.420 -17.038 1.00 5.22 H new ATOM 0 HE3 LYS A 37 -2.613 3.820 -16.738 1.00 5.22 H new ATOM 0 HZ1 LYS A 37 -4.406 3.756 -18.323 1.00 43.05 H new ATOM 0 HZ2 LYS A 37 -4.843 2.914 -16.914 1.00 43.05 H new ATOM 0 HZ3 LYS A 37 -5.471 4.464 -17.205 1.00 43.05 H new ATOM 586 N THR A 38 -1.703 5.686 -11.113 1.00 73.15 N ATOM 587 CA THR A 38 -2.687 5.710 -10.044 1.00 1.21 C ATOM 588 C THR A 38 -2.241 4.646 -9.034 1.00 71.12 C ATOM 589 O THR A 38 -1.221 3.973 -9.219 1.00 3.04 O ATOM 590 CB THR A 38 -4.107 5.479 -10.642 1.00 41.12 C ATOM 591 OG1 THR A 38 -5.161 5.498 -9.695 1.00 54.21 O ATOM 592 CG2 THR A 38 -4.248 4.146 -11.366 1.00 64.35 C ATOM 0 H THR A 38 -1.117 4.851 -11.085 1.00 73.15 H new ATOM 0 HA THR A 38 -2.750 6.669 -9.529 1.00 1.21 H new ATOM 0 HB THR A 38 -4.196 6.324 -11.325 1.00 41.12 H new ATOM 0 HG1 THR A 38 -5.207 4.632 -9.239 1.00 54.21 H new ATOM 0 HG21 THR A 38 -5.261 4.050 -11.758 1.00 64.35 H new ATOM 0 HG22 THR A 38 -3.535 4.102 -12.189 1.00 64.35 H new ATOM 0 HG23 THR A 38 -4.049 3.331 -10.670 1.00 64.35 H new ATOM 600 N TYR A 39 -3.052 4.439 -8.005 1.00 25.54 N ATOM 601 CA TYR A 39 -3.147 3.177 -7.293 1.00 10.43 C ATOM 602 C TYR A 39 -4.579 2.667 -7.465 1.00 30.34 C ATOM 603 O TYR A 39 -5.446 3.400 -7.953 1.00 11.11 O ATOM 604 CB TYR A 39 -2.739 3.394 -5.831 1.00 1.10 C ATOM 605 CG TYR A 39 -3.824 3.937 -4.916 1.00 31.42 C ATOM 606 CD1 TYR A 39 -4.236 5.282 -4.995 1.00 65.12 C ATOM 607 CD2 TYR A 39 -4.371 3.107 -3.920 1.00 22.54 C ATOM 608 CE1 TYR A 39 -5.167 5.789 -4.071 1.00 34.32 C ATOM 609 CE2 TYR A 39 -5.294 3.605 -2.994 1.00 53.12 C ATOM 610 CZ TYR A 39 -5.691 4.952 -3.057 1.00 71.41 C ATOM 611 OH TYR A 39 -6.646 5.404 -2.206 1.00 14.01 O ATOM 0 H TYR A 39 -3.673 5.159 -7.637 1.00 25.54 H new ATOM 0 HA TYR A 39 -2.470 2.419 -7.686 1.00 10.43 H new ATOM 0 HB2 TYR A 39 -2.390 2.444 -5.426 1.00 1.10 H new ATOM 0 HB3 TYR A 39 -1.893 4.081 -5.808 1.00 1.10 H new ATOM 0 HD1 TYR A 39 -3.836 5.924 -5.766 1.00 65.12 H new ATOM 0 HD2 TYR A 39 -4.074 2.070 -3.870 1.00 22.54 H new ATOM 0 HE1 TYR A 39 -5.483 6.820 -4.135 1.00 34.32 H new ATOM 0 HE2 TYR A 39 -5.701 2.956 -2.232 1.00 53.12 H new ATOM 0 HH TYR A 39 -7.530 5.146 -2.540 1.00 14.01 H new ATOM 621 N GLU A 40 -4.825 1.418 -7.089 1.00 73.14 N ATOM 622 CA GLU A 40 -6.137 0.795 -7.061 1.00 2.13 C ATOM 623 C GLU A 40 -6.224 0.018 -5.743 1.00 73.45 C ATOM 624 O GLU A 40 -5.285 -0.696 -5.383 1.00 30.54 O ATOM 625 CB GLU A 40 -6.332 -0.160 -8.253 1.00 14.13 C ATOM 626 CG GLU A 40 -6.145 0.484 -9.644 1.00 74.35 C ATOM 627 CD GLU A 40 -6.403 -0.491 -10.807 1.00 11.12 C ATOM 628 OE1 GLU A 40 -7.212 -1.431 -10.665 1.00 44.13 O ATOM 629 OE2 GLU A 40 -5.784 -0.349 -11.898 1.00 2.31 O ATOM 0 H GLU A 40 -4.083 0.788 -6.783 1.00 73.14 H new ATOM 0 HA GLU A 40 -6.918 1.552 -7.133 1.00 2.13 H new ATOM 0 HB2 GLU A 40 -5.629 -0.987 -8.155 1.00 14.13 H new ATOM 0 HB3 GLU A 40 -7.334 -0.585 -8.198 1.00 14.13 H new ATOM 0 HG2 GLU A 40 -6.820 1.335 -9.736 1.00 74.35 H new ATOM 0 HG3 GLU A 40 -5.130 0.872 -9.723 1.00 74.35 H new ATOM 636 N VAL A 41 -7.331 0.137 -5.021 1.00 31.34 N ATOM 637 CA VAL A 41 -7.581 -0.554 -3.758 1.00 64.43 C ATOM 638 C VAL A 41 -9.058 -0.945 -3.709 1.00 2.02 C ATOM 639 O VAL A 41 -9.864 -0.449 -4.497 1.00 71.14 O ATOM 640 CB VAL A 41 -7.130 0.342 -2.580 1.00 14.23 C ATOM 641 CG1 VAL A 41 -8.034 1.554 -2.339 1.00 13.40 C ATOM 642 CG2 VAL A 41 -6.989 -0.436 -1.268 1.00 21.44 C ATOM 0 H VAL A 41 -8.106 0.736 -5.306 1.00 31.34 H new ATOM 0 HA VAL A 41 -7.000 -1.473 -3.676 1.00 64.43 H new ATOM 0 HB VAL A 41 -6.152 0.708 -2.893 1.00 14.23 H new ATOM 0 HG11 VAL A 41 -7.651 2.132 -1.498 1.00 13.40 H new ATOM 0 HG12 VAL A 41 -8.049 2.180 -3.231 1.00 13.40 H new ATOM 0 HG13 VAL A 41 -9.046 1.215 -2.116 1.00 13.40 H new ATOM 0 HG21 VAL A 41 -6.670 0.241 -0.476 1.00 21.44 H new ATOM 0 HG22 VAL A 41 -7.949 -0.879 -1.003 1.00 21.44 H new ATOM 0 HG23 VAL A 41 -6.247 -1.225 -1.391 1.00 21.44 H new ATOM 652 N TYR A 42 -9.432 -1.837 -2.795 1.00 71.55 N ATOM 653 CA TYR A 42 -10.811 -2.198 -2.519 1.00 71.13 C ATOM 654 C TYR A 42 -10.904 -2.881 -1.158 1.00 11.12 C ATOM 655 O TYR A 42 -9.895 -3.083 -0.486 1.00 73.34 O ATOM 656 CB TYR A 42 -11.407 -3.062 -3.641 1.00 30.21 C ATOM 657 CG TYR A 42 -10.807 -4.429 -3.930 1.00 1.31 C ATOM 658 CD1 TYR A 42 -9.464 -4.557 -4.344 1.00 31.33 C ATOM 659 CD2 TYR A 42 -11.656 -5.555 -3.967 1.00 65.33 C ATOM 660 CE1 TYR A 42 -8.968 -5.800 -4.768 1.00 74.43 C ATOM 661 CE2 TYR A 42 -11.178 -6.788 -4.442 1.00 50.15 C ATOM 662 CZ TYR A 42 -9.820 -6.925 -4.797 1.00 65.43 C ATOM 663 OH TYR A 42 -9.334 -8.120 -5.220 1.00 54.05 O ATOM 0 H TYR A 42 -8.762 -2.340 -2.213 1.00 71.55 H new ATOM 0 HA TYR A 42 -11.410 -1.288 -2.485 1.00 71.13 H new ATOM 0 HB2 TYR A 42 -12.463 -3.210 -3.414 1.00 30.21 H new ATOM 0 HB3 TYR A 42 -11.357 -2.482 -4.562 1.00 30.21 H new ATOM 0 HD1 TYR A 42 -8.814 -3.694 -4.335 1.00 31.33 H new ATOM 0 HD2 TYR A 42 -12.678 -5.469 -3.629 1.00 65.33 H new ATOM 0 HE1 TYR A 42 -7.936 -5.895 -5.072 1.00 74.43 H new ATOM 0 HE2 TYR A 42 -11.849 -7.629 -4.535 1.00 50.15 H new ATOM 0 HH TYR A 42 -10.044 -8.794 -5.180 1.00 54.05 H new ATOM 673 N THR A 43 -12.111 -3.234 -0.730 1.00 23.34 N ATOM 674 CA THR A 43 -12.340 -4.106 0.413 1.00 23.14 C ATOM 675 C THR A 43 -13.374 -5.133 -0.035 1.00 42.14 C ATOM 676 O THR A 43 -14.228 -4.811 -0.865 1.00 30.40 O ATOM 677 CB THR A 43 -12.863 -3.316 1.632 1.00 32.33 C ATOM 678 OG1 THR A 43 -12.606 -1.924 1.536 1.00 64.52 O ATOM 679 CG2 THR A 43 -12.236 -3.808 2.939 1.00 43.11 C ATOM 0 H THR A 43 -12.971 -2.916 -1.176 1.00 23.34 H new ATOM 0 HA THR A 43 -11.409 -4.579 0.726 1.00 23.14 H new ATOM 0 HB THR A 43 -13.939 -3.487 1.636 1.00 32.33 H new ATOM 0 HG1 THR A 43 -12.958 -1.471 2.330 1.00 64.52 H new ATOM 0 HG21 THR A 43 -12.630 -3.227 3.773 1.00 43.11 H new ATOM 0 HG22 THR A 43 -12.477 -4.861 3.085 1.00 43.11 H new ATOM 0 HG23 THR A 43 -11.154 -3.687 2.892 1.00 43.11 H new ATOM 687 N GLY A 44 -13.330 -6.334 0.536 1.00 34.23 N ATOM 688 CA GLY A 44 -14.324 -7.353 0.238 1.00 30.13 C ATOM 689 C GLY A 44 -14.145 -7.881 -1.184 1.00 34.12 C ATOM 690 O GLY A 44 -13.072 -7.721 -1.773 1.00 74.24 O ATOM 0 H GLY A 44 -12.617 -6.622 1.206 1.00 34.23 H new ATOM 0 HA2 GLY A 44 -14.236 -8.174 0.950 1.00 30.13 H new ATOM 0 HA3 GLY A 44 -15.325 -6.937 0.354 1.00 30.13 H new ATOM 786 N PRO A 52 -13.584 -1.156 -7.475 1.00 10.44 N ATOM 787 CA PRO A 52 -12.394 -0.646 -6.799 1.00 30.13 C ATOM 788 C PRO A 52 -12.350 0.890 -6.738 1.00 25.31 C ATOM 789 O PRO A 52 -13.059 1.597 -7.463 1.00 13.12 O ATOM 790 CB PRO A 52 -11.205 -1.249 -7.556 1.00 70.52 C ATOM 791 CG PRO A 52 -11.758 -1.470 -8.965 1.00 52.41 C ATOM 792 CD PRO A 52 -13.234 -1.792 -8.735 1.00 54.13 C ATOM 0 HA PRO A 52 -12.382 -0.939 -5.749 1.00 30.13 H new ATOM 0 HB2 PRO A 52 -10.348 -0.575 -7.562 1.00 70.52 H new ATOM 0 HB3 PRO A 52 -10.872 -2.183 -7.104 1.00 70.52 H new ATOM 0 HG2 PRO A 52 -11.635 -0.583 -9.586 1.00 52.41 H new ATOM 0 HG3 PRO A 52 -11.245 -2.287 -9.472 1.00 52.41 H new ATOM 0 HD2 PRO A 52 -13.849 -1.411 -9.550 1.00 54.13 H new ATOM 0 HD3 PRO A 52 -13.397 -2.869 -8.689 1.00 54.13 H new ATOM 800 N PHE A 53 -11.481 1.400 -5.869 1.00 62.53 N ATOM 801 CA PHE A 53 -11.179 2.796 -5.578 1.00 22.22 C ATOM 802 C PHE A 53 -9.844 3.096 -6.265 1.00 63.52 C ATOM 803 O PHE A 53 -8.914 2.299 -6.127 1.00 53.43 O ATOM 804 CB PHE A 53 -11.065 2.910 -4.045 1.00 10.03 C ATOM 805 CG PHE A 53 -11.060 4.304 -3.435 1.00 11.20 C ATOM 806 CD1 PHE A 53 -12.151 5.177 -3.620 1.00 13.04 C ATOM 807 CD2 PHE A 53 -9.993 4.708 -2.608 1.00 54.41 C ATOM 808 CE1 PHE A 53 -12.146 6.454 -3.022 1.00 33.54 C ATOM 809 CE2 PHE A 53 -9.983 5.984 -2.021 1.00 41.04 C ATOM 810 CZ PHE A 53 -11.055 6.861 -2.236 1.00 60.32 C ATOM 0 H PHE A 53 -10.913 0.779 -5.292 1.00 62.53 H new ATOM 0 HA PHE A 53 -11.934 3.499 -5.932 1.00 22.22 H new ATOM 0 HB2 PHE A 53 -11.894 2.355 -3.605 1.00 10.03 H new ATOM 0 HB3 PHE A 53 -10.147 2.407 -3.739 1.00 10.03 H new ATOM 0 HD1 PHE A 53 -12.993 4.867 -4.221 1.00 13.04 H new ATOM 0 HD2 PHE A 53 -9.174 4.029 -2.423 1.00 54.41 H new ATOM 0 HE1 PHE A 53 -12.983 7.121 -3.169 1.00 33.54 H new ATOM 0 HE2 PHE A 53 -9.150 6.289 -1.405 1.00 41.04 H new ATOM 0 HZ PHE A 53 -11.042 7.848 -1.798 1.00 60.32 H new ATOM 820 N ARG A 54 -9.732 4.185 -7.032 1.00 51.04 N ATOM 821 CA ARG A 54 -8.540 4.508 -7.828 1.00 74.15 C ATOM 822 C ARG A 54 -8.326 6.020 -7.821 1.00 30.41 C ATOM 823 O ARG A 54 -9.299 6.755 -7.985 1.00 54.25 O ATOM 824 CB ARG A 54 -8.677 3.924 -9.250 1.00 23.10 C ATOM 825 CG ARG A 54 -9.788 4.580 -10.087 1.00 54.21 C ATOM 826 CD ARG A 54 -10.458 3.610 -11.064 1.00 23.11 C ATOM 827 NE ARG A 54 -11.485 4.306 -11.849 1.00 63.23 N ATOM 828 CZ ARG A 54 -12.535 3.791 -12.493 1.00 2.02 C ATOM 829 NH1 ARG A 54 -12.742 2.476 -12.535 1.00 54.42 N ATOM 830 NH2 ARG A 54 -13.378 4.635 -13.072 1.00 74.21 N ATOM 0 H ARG A 54 -10.476 4.877 -7.120 1.00 51.04 H new ATOM 0 HA ARG A 54 -7.653 4.050 -7.390 1.00 74.15 H new ATOM 0 HB2 ARG A 54 -7.727 4.037 -9.772 1.00 23.10 H new ATOM 0 HB3 ARG A 54 -8.874 2.855 -9.176 1.00 23.10 H new ATOM 0 HG2 ARG A 54 -10.544 4.991 -9.418 1.00 54.21 H new ATOM 0 HG3 ARG A 54 -9.368 5.416 -10.646 1.00 54.21 H new ATOM 0 HD2 ARG A 54 -9.710 3.180 -11.731 1.00 23.11 H new ATOM 0 HD3 ARG A 54 -10.908 2.783 -10.515 1.00 23.11 H new ATOM 0 HE ARG A 54 -11.383 5.319 -11.911 1.00 63.23 H new ATOM 0 HH11 ARG A 54 -12.092 1.842 -12.070 1.00 54.42 H new ATOM 0 HH12 ARG A 54 -13.550 2.103 -13.032 1.00 54.42 H new ATOM 0 HH21 ARG A 54 -13.213 5.640 -13.016 1.00 74.21 H new ATOM 0 HH22 ARG A 54 -14.192 4.279 -13.573 1.00 74.21 H new ATOM 844 N GLY A 55 -7.100 6.480 -7.583 1.00 61.51 N ATOM 845 CA GLY A 55 -6.794 7.868 -7.247 1.00 10.23 C ATOM 846 C GLY A 55 -5.415 8.260 -7.766 1.00 73.21 C ATOM 847 O GLY A 55 -5.206 8.240 -8.979 1.00 34.34 O ATOM 0 H GLY A 55 -6.273 5.884 -7.619 1.00 61.51 H new ATOM 0 HA2 GLY A 55 -7.550 8.526 -7.677 1.00 10.23 H new ATOM 0 HA3 GLY A 55 -6.832 8.002 -6.166 1.00 10.23 H new ATOM 851 N THR A 56 -4.485 8.608 -6.881 1.00 52.12 N ATOM 852 CA THR A 56 -3.057 8.764 -7.145 1.00 20.40 C ATOM 853 C THR A 56 -2.295 8.467 -5.839 1.00 75.34 C ATOM 854 O THR A 56 -2.887 8.432 -4.756 1.00 14.04 O ATOM 855 CB THR A 56 -2.730 10.176 -7.698 1.00 34.11 C ATOM 856 OG1 THR A 56 -3.452 11.190 -7.019 1.00 1.13 O ATOM 857 CG2 THR A 56 -3.031 10.344 -9.191 1.00 12.40 C ATOM 0 H THR A 56 -4.720 8.799 -5.907 1.00 52.12 H new ATOM 0 HA THR A 56 -2.744 8.062 -7.918 1.00 20.40 H new ATOM 0 HB THR A 56 -1.657 10.276 -7.535 1.00 34.11 H new ATOM 0 HG1 THR A 56 -3.218 12.065 -7.394 1.00 1.13 H new ATOM 0 HG21 THR A 56 -2.776 11.357 -9.502 1.00 12.40 H new ATOM 0 HG22 THR A 56 -2.440 9.629 -9.764 1.00 12.40 H new ATOM 0 HG23 THR A 56 -4.091 10.165 -9.371 1.00 12.40 H new ATOM 865 N TYR A 57 -0.982 8.256 -5.920 1.00 41.22 N ATOM 866 CA TYR A 57 -0.083 8.270 -4.771 1.00 44.43 C ATOM 867 C TYR A 57 0.882 9.450 -4.907 1.00 32.32 C ATOM 868 O TYR A 57 1.060 10.004 -5.994 1.00 62.23 O ATOM 869 CB TYR A 57 0.672 6.934 -4.645 1.00 35.43 C ATOM 870 CG TYR A 57 1.560 6.581 -5.826 1.00 54.03 C ATOM 871 CD1 TYR A 57 2.837 7.162 -5.941 1.00 23.14 C ATOM 872 CD2 TYR A 57 1.106 5.691 -6.821 1.00 13.02 C ATOM 873 CE1 TYR A 57 3.644 6.883 -7.053 1.00 45.24 C ATOM 874 CE2 TYR A 57 1.922 5.387 -7.925 1.00 54.34 C ATOM 875 CZ TYR A 57 3.190 5.995 -8.050 1.00 1.20 C ATOM 876 OH TYR A 57 4.007 5.679 -9.087 1.00 23.53 O ATOM 0 H TYR A 57 -0.507 8.067 -6.802 1.00 41.22 H new ATOM 0 HA TYR A 57 -0.664 8.392 -3.857 1.00 44.43 H new ATOM 0 HB2 TYR A 57 1.286 6.965 -3.745 1.00 35.43 H new ATOM 0 HB3 TYR A 57 -0.056 6.135 -4.506 1.00 35.43 H new ATOM 0 HD1 TYR A 57 3.197 7.826 -5.169 1.00 23.14 H new ATOM 0 HD2 TYR A 57 0.128 5.241 -6.735 1.00 13.02 H new ATOM 0 HE1 TYR A 57 4.614 7.349 -7.146 1.00 45.24 H new ATOM 0 HE2 TYR A 57 1.580 4.690 -8.676 1.00 54.34 H new ATOM 0 HH TYR A 57 4.340 6.501 -9.504 1.00 23.53 H new ATOM 886 N ILE A 58 1.557 9.786 -3.810 1.00 51.13 N ATOM 887 CA ILE A 58 2.718 10.681 -3.803 1.00 43.02 C ATOM 888 C ILE A 58 3.766 10.017 -2.916 1.00 61.14 C ATOM 889 O ILE A 58 3.437 9.481 -1.855 1.00 4.24 O ATOM 890 CB ILE A 58 2.380 12.118 -3.319 1.00 34.51 C ATOM 891 CG1 ILE A 58 1.210 12.734 -4.113 1.00 3.12 C ATOM 892 CG2 ILE A 58 3.610 13.041 -3.438 1.00 31.51 C ATOM 893 CD1 ILE A 58 0.909 14.200 -3.767 1.00 51.34 C ATOM 0 H ILE A 58 1.310 9.439 -2.883 1.00 51.13 H new ATOM 0 HA ILE A 58 3.087 10.819 -4.819 1.00 43.02 H new ATOM 0 HB ILE A 58 2.083 12.034 -2.274 1.00 34.51 H new ATOM 0 HG12 ILE A 58 1.433 12.663 -5.178 1.00 3.12 H new ATOM 0 HG13 ILE A 58 0.314 12.140 -3.935 1.00 3.12 H new ATOM 0 HG21 ILE A 58 3.349 14.042 -3.093 1.00 31.51 H new ATOM 0 HG22 ILE A 58 4.421 12.647 -2.826 1.00 31.51 H new ATOM 0 HG23 ILE A 58 3.930 13.088 -4.479 1.00 31.51 H new ATOM 0 HD11 ILE A 58 0.073 14.552 -4.371 1.00 51.34 H new ATOM 0 HD12 ILE A 58 0.652 14.279 -2.711 1.00 51.34 H new ATOM 0 HD13 ILE A 58 1.788 14.810 -3.973 1.00 51.34 H new ATOM 905 N ILE A 59 5.024 10.041 -3.350 1.00 51.24 N ATOM 906 CA ILE A 59 6.160 9.600 -2.560 1.00 64.13 C ATOM 907 C ILE A 59 6.812 10.858 -1.992 1.00 74.42 C ATOM 908 O ILE A 59 6.844 11.908 -2.638 1.00 60.24 O ATOM 909 CB ILE A 59 7.134 8.774 -3.436 1.00 13.33 C ATOM 910 CG1 ILE A 59 6.434 7.627 -4.201 1.00 55.31 C ATOM 911 CG2 ILE A 59 8.298 8.215 -2.594 1.00 32.40 C ATOM 912 CD1 ILE A 59 5.791 6.559 -3.308 1.00 43.45 C ATOM 0 H ILE A 59 5.282 10.375 -4.279 1.00 51.24 H new ATOM 0 HA ILE A 59 5.857 8.943 -1.745 1.00 64.13 H new ATOM 0 HB ILE A 59 7.529 9.464 -4.182 1.00 13.33 H new ATOM 0 HG12 ILE A 59 5.665 8.054 -4.844 1.00 55.31 H new ATOM 0 HG13 ILE A 59 7.163 7.145 -4.853 1.00 55.31 H new ATOM 0 HG21 ILE A 59 8.966 7.639 -3.234 1.00 32.40 H new ATOM 0 HG22 ILE A 59 8.849 9.040 -2.142 1.00 32.40 H new ATOM 0 HG23 ILE A 59 7.903 7.570 -1.809 1.00 32.40 H new ATOM 0 HD11 ILE A 59 5.325 5.796 -3.931 1.00 43.45 H new ATOM 0 HD12 ILE A 59 6.556 6.099 -2.683 1.00 43.45 H new ATOM 0 HD13 ILE A 59 5.034 7.022 -2.674 1.00 43.45 H new ATOM 924 N SER A 60 7.374 10.750 -0.796 1.00 53.52 N ATOM 925 CA SER A 60 8.122 11.813 -0.169 1.00 22.04 C ATOM 926 C SER A 60 9.539 11.331 0.076 1.00 61.11 C ATOM 927 O SER A 60 9.773 10.393 0.841 1.00 33.13 O ATOM 928 CB SER A 60 7.448 12.245 1.120 1.00 43.53 C ATOM 929 OG SER A 60 6.158 12.780 0.893 1.00 40.34 O ATOM 0 H SER A 60 7.318 9.903 -0.230 1.00 53.52 H new ATOM 0 HA SER A 60 8.154 12.685 -0.822 1.00 22.04 H new ATOM 0 HB2 SER A 60 7.372 11.391 1.793 1.00 43.53 H new ATOM 0 HB3 SER A 60 8.066 12.991 1.620 1.00 43.53 H new ATOM 0 HG SER A 60 5.804 13.146 1.730 1.00 40.34 H new ATOM 935 N LEU A 61 10.487 11.982 -0.588 1.00 33.21 N ATOM 936 CA LEU A 61 11.906 11.851 -0.336 1.00 64.22 C ATOM 937 C LEU A 61 12.168 12.406 1.058 1.00 74.03 C ATOM 938 O LEU A 61 12.636 11.689 1.938 1.00 52.13 O ATOM 939 CB LEU A 61 12.720 12.632 -1.393 1.00 54.32 C ATOM 940 CG LEU A 61 12.847 11.994 -2.790 1.00 75.02 C ATOM 941 CD1 LEU A 61 13.598 10.661 -2.715 1.00 4.43 C ATOM 942 CD2 LEU A 61 11.496 11.816 -3.497 1.00 51.53 C ATOM 0 H LEU A 61 10.275 12.636 -1.341 1.00 33.21 H new ATOM 0 HA LEU A 61 12.213 10.807 -0.398 1.00 64.22 H new ATOM 0 HB2 LEU A 61 12.267 13.616 -1.510 1.00 54.32 H new ATOM 0 HB3 LEU A 61 13.724 12.788 -0.999 1.00 54.32 H new ATOM 0 HG LEU A 61 13.424 12.693 -3.395 1.00 75.02 H new ATOM 0 HD11 LEU A 61 13.675 10.230 -3.713 1.00 4.43 H new ATOM 0 HD12 LEU A 61 14.598 10.829 -2.314 1.00 4.43 H new ATOM 0 HD13 LEU A 61 13.057 9.974 -2.064 1.00 4.43 H new ATOM 0 HD21 LEU A 61 11.654 11.362 -4.475 1.00 51.53 H new ATOM 0 HD22 LEU A 61 10.854 11.171 -2.897 1.00 51.53 H new ATOM 0 HD23 LEU A 61 11.019 12.788 -3.621 1.00 51.53 H new ATOM 954 N ASP A 62 11.831 13.680 1.256 1.00 4.50 N ATOM 955 CA ASP A 62 12.331 14.503 2.357 1.00 24.43 C ATOM 956 C ASP A 62 11.515 14.387 3.645 1.00 4.22 C ATOM 957 O ASP A 62 11.775 15.130 4.593 1.00 75.12 O ATOM 958 CB ASP A 62 12.447 15.965 1.895 1.00 20.04 C ATOM 959 CG ASP A 62 13.889 16.301 1.542 1.00 0.33 C ATOM 960 OD1 ASP A 62 14.690 16.571 2.463 1.00 31.02 O ATOM 961 OD2 ASP A 62 14.236 16.254 0.339 1.00 32.21 O ATOM 0 H ASP A 62 11.188 14.180 0.642 1.00 4.50 H new ATOM 0 HA ASP A 62 13.317 14.118 2.617 1.00 24.43 H new ATOM 0 HB2 ASP A 62 11.807 16.130 1.029 1.00 20.04 H new ATOM 0 HB3 ASP A 62 12.095 16.630 2.683 1.00 20.04 H new ATOM 966 N GLU A 63 10.518 13.504 3.706 1.00 32.02 N ATOM 967 CA GLU A 63 9.985 12.983 4.964 1.00 0.22 C ATOM 968 C GLU A 63 9.954 11.442 4.961 1.00 35.14 C ATOM 969 O GLU A 63 9.369 10.843 5.853 1.00 34.12 O ATOM 970 CB GLU A 63 8.635 13.639 5.317 1.00 64.12 C ATOM 971 CG GLU A 63 7.475 13.295 4.372 1.00 55.24 C ATOM 972 CD GLU A 63 7.049 14.418 3.415 1.00 31.22 C ATOM 973 OE1 GLU A 63 7.914 15.187 2.934 1.00 1.44 O ATOM 974 OE2 GLU A 63 5.873 14.433 2.983 1.00 71.04 O ATOM 0 H GLU A 63 10.055 13.128 2.879 1.00 32.02 H new ATOM 0 HA GLU A 63 10.662 13.261 5.772 1.00 0.22 H new ATOM 0 HB2 GLU A 63 8.359 13.343 6.329 1.00 64.12 H new ATOM 0 HB3 GLU A 63 8.766 14.721 5.327 1.00 64.12 H new ATOM 0 HG2 GLU A 63 7.757 12.424 3.780 1.00 55.24 H new ATOM 0 HG3 GLU A 63 6.613 13.006 4.973 1.00 55.24 H new ATOM 981 N LYS A 64 10.588 10.790 3.974 1.00 72.23 N ATOM 982 CA LYS A 64 10.667 9.332 3.810 1.00 13.15 C ATOM 983 C LYS A 64 9.321 8.626 4.029 1.00 71.40 C ATOM 984 O LYS A 64 9.196 7.640 4.764 1.00 63.44 O ATOM 985 CB LYS A 64 11.829 8.788 4.667 1.00 35.43 C ATOM 986 CG LYS A 64 12.663 7.750 3.904 1.00 23.12 C ATOM 987 CD LYS A 64 13.671 8.376 2.923 1.00 22.21 C ATOM 988 CE LYS A 64 13.154 8.571 1.492 1.00 0.41 C ATOM 989 NZ LYS A 64 14.190 9.157 0.614 1.00 20.41 N ATOM 0 H LYS A 64 11.082 11.289 3.235 1.00 72.23 H new ATOM 0 HA LYS A 64 10.895 9.101 2.769 1.00 13.15 H new ATOM 0 HB2 LYS A 64 12.470 9.614 4.976 1.00 35.43 H new ATOM 0 HB3 LYS A 64 11.430 8.337 5.576 1.00 35.43 H new ATOM 0 HG2 LYS A 64 13.202 7.130 4.621 1.00 23.12 H new ATOM 0 HG3 LYS A 64 11.993 7.090 3.353 1.00 23.12 H new ATOM 0 HD2 LYS A 64 13.982 9.344 3.315 1.00 22.21 H new ATOM 0 HD3 LYS A 64 14.560 7.746 2.889 1.00 22.21 H new ATOM 0 HE2 LYS A 64 12.833 7.611 1.087 1.00 0.41 H new ATOM 0 HE3 LYS A 64 12.278 9.220 1.506 1.00 0.41 H new ATOM 0 HZ1 LYS A 64 13.941 8.983 -0.381 1.00 20.41 H new ATOM 0 HZ2 LYS A 64 14.248 10.182 0.782 1.00 20.41 H new ATOM 0 HZ3 LYS A 64 15.110 8.719 0.822 1.00 20.41 H new ATOM 1003 N LEU A 65 8.291 9.144 3.366 1.00 44.44 N ATOM 1004 CA LEU A 65 6.894 8.808 3.600 1.00 11.12 C ATOM 1005 C LEU A 65 6.227 8.543 2.247 1.00 24.21 C ATOM 1006 O LEU A 65 6.821 8.814 1.198 1.00 23.32 O ATOM 1007 CB LEU A 65 6.266 9.975 4.395 1.00 75.41 C ATOM 1008 CG LEU A 65 5.041 9.588 5.243 1.00 20.01 C ATOM 1009 CD1 LEU A 65 5.168 10.075 6.687 1.00 33.11 C ATOM 1010 CD2 LEU A 65 3.761 10.177 4.667 1.00 31.20 C ATOM 0 H LEU A 65 8.413 9.834 2.625 1.00 44.44 H new ATOM 0 HA LEU A 65 6.763 7.901 4.191 1.00 11.12 H new ATOM 0 HB2 LEU A 65 7.026 10.400 5.051 1.00 75.41 H new ATOM 0 HB3 LEU A 65 5.974 10.758 3.695 1.00 75.41 H new ATOM 0 HG LEU A 65 4.998 8.499 5.226 1.00 20.01 H new ATOM 0 HD11 LEU A 65 4.282 9.780 7.250 1.00 33.11 H new ATOM 0 HD12 LEU A 65 6.052 9.631 7.144 1.00 33.11 H new ATOM 0 HD13 LEU A 65 5.260 11.161 6.698 1.00 33.11 H new ATOM 0 HD21 LEU A 65 2.914 9.885 5.289 1.00 31.20 H new ATOM 0 HD22 LEU A 65 3.838 11.264 4.646 1.00 31.20 H new ATOM 0 HD23 LEU A 65 3.613 9.804 3.654 1.00 31.20 H new ATOM 1022 N ILE A 66 5.011 8.012 2.252 1.00 24.04 N ATOM 1023 CA ILE A 66 4.147 7.889 1.084 1.00 21.22 C ATOM 1024 C ILE A 66 2.763 8.337 1.549 1.00 73.42 C ATOM 1025 O ILE A 66 2.396 8.109 2.706 1.00 53.21 O ATOM 1026 CB ILE A 66 4.206 6.449 0.503 1.00 53.43 C ATOM 1027 CG1 ILE A 66 3.144 6.203 -0.596 1.00 1.31 C ATOM 1028 CG2 ILE A 66 4.088 5.369 1.590 1.00 32.32 C ATOM 1029 CD1 ILE A 66 3.342 4.896 -1.381 1.00 62.42 C ATOM 0 H ILE A 66 4.583 7.641 3.101 1.00 24.04 H new ATOM 0 HA ILE A 66 4.462 8.515 0.249 1.00 21.22 H new ATOM 0 HB ILE A 66 5.192 6.369 0.046 1.00 53.43 H new ATOM 0 HG12 ILE A 66 2.156 6.191 -0.135 1.00 1.31 H new ATOM 0 HG13 ILE A 66 3.160 7.039 -1.295 1.00 1.31 H new ATOM 0 HG21 ILE A 66 4.135 4.382 1.129 1.00 32.32 H new ATOM 0 HG22 ILE A 66 4.907 5.477 2.301 1.00 32.32 H new ATOM 0 HG23 ILE A 66 3.138 5.481 2.112 1.00 32.32 H new ATOM 0 HD11 ILE A 66 2.557 4.800 -2.131 1.00 62.42 H new ATOM 0 HD12 ILE A 66 4.314 4.911 -1.873 1.00 62.42 H new ATOM 0 HD13 ILE A 66 3.295 4.049 -0.696 1.00 62.42 H new ATOM 1041 N LYS A 67 2.012 9.001 0.672 1.00 72.24 N ATOM 1042 CA LYS A 67 0.623 9.364 0.922 1.00 24.20 C ATOM 1043 C LYS A 67 -0.212 8.932 -0.280 1.00 20.10 C ATOM 1044 O LYS A 67 0.343 8.674 -1.357 1.00 14.23 O ATOM 1045 CB LYS A 67 0.460 10.857 1.246 1.00 44.42 C ATOM 1046 CG LYS A 67 1.506 11.472 2.183 1.00 12.00 C ATOM 1047 CD LYS A 67 1.050 12.856 2.676 1.00 43.12 C ATOM 1048 CE LYS A 67 2.181 13.593 3.401 1.00 44.42 C ATOM 1049 NZ LYS A 67 3.110 14.229 2.449 1.00 51.45 N ATOM 0 H LYS A 67 2.356 9.304 -0.239 1.00 72.24 H new ATOM 0 HA LYS A 67 0.267 8.842 1.810 1.00 24.20 H new ATOM 0 HB2 LYS A 67 0.473 11.413 0.308 1.00 44.42 H new ATOM 0 HB3 LYS A 67 -0.524 11.004 1.690 1.00 44.42 H new ATOM 0 HG2 LYS A 67 1.670 10.813 3.036 1.00 12.00 H new ATOM 0 HG3 LYS A 67 2.459 11.562 1.662 1.00 12.00 H new ATOM 0 HD2 LYS A 67 0.710 13.452 1.829 1.00 43.12 H new ATOM 0 HD3 LYS A 67 0.199 12.742 3.347 1.00 43.12 H new ATOM 0 HE2 LYS A 67 1.758 14.351 4.060 1.00 44.42 H new ATOM 0 HE3 LYS A 67 2.728 12.892 4.031 1.00 44.42 H new ATOM 0 HZ1 LYS A 67 4.077 14.189 2.829 1.00 51.45 H new ATOM 0 HZ2 LYS A 67 3.074 13.726 1.540 1.00 51.45 H new ATOM 0 HZ3 LYS A 67 2.835 15.222 2.306 1.00 51.45 H new ATOM 1063 N LEU A 68 -1.531 8.839 -0.112 1.00 41.13 N ATOM 1064 CA LEU A 68 -2.458 8.401 -1.152 1.00 3.23 C ATOM 1065 C LEU A 68 -3.626 9.366 -1.233 1.00 52.12 C ATOM 1066 O LEU A 68 -4.159 9.782 -0.200 1.00 73.44 O ATOM 1067 CB LEU A 68 -2.962 6.981 -0.884 1.00 1.33 C ATOM 1068 CG LEU A 68 -1.852 5.923 -1.063 1.00 53.15 C ATOM 1069 CD1 LEU A 68 -1.278 5.382 0.247 1.00 74.51 C ATOM 1070 CD2 LEU A 68 -2.392 4.764 -1.876 1.00 35.32 C ATOM 0 H LEU A 68 -1.992 9.071 0.768 1.00 41.13 H new ATOM 0 HA LEU A 68 -1.928 8.392 -2.104 1.00 3.23 H new ATOM 0 HB2 LEU A 68 -3.356 6.923 0.131 1.00 1.33 H new ATOM 0 HB3 LEU A 68 -3.787 6.757 -1.560 1.00 1.33 H new ATOM 0 HG LEU A 68 -1.033 6.430 -1.573 1.00 53.15 H new ATOM 0 HD11 LEU A 68 -0.505 4.645 0.029 1.00 74.51 H new ATOM 0 HD12 LEU A 68 -0.846 6.202 0.821 1.00 74.51 H new ATOM 0 HD13 LEU A 68 -2.073 4.913 0.827 1.00 74.51 H new ATOM 0 HD21 LEU A 68 -1.611 4.015 -2.005 1.00 35.32 H new ATOM 0 HD22 LEU A 68 -3.240 4.319 -1.356 1.00 35.32 H new ATOM 0 HD23 LEU A 68 -2.714 5.124 -2.853 1.00 35.32 H new ATOM 1082 N TYR A 69 -3.999 9.744 -2.453 1.00 23.43 N ATOM 1083 CA TYR A 69 -5.016 10.741 -2.721 1.00 53.25 C ATOM 1084 C TYR A 69 -6.075 10.152 -3.623 1.00 31.51 C ATOM 1085 O TYR A 69 -5.796 9.310 -4.477 1.00 61.34 O ATOM 1086 CB TYR A 69 -4.423 11.971 -3.398 1.00 51.12 C ATOM 1087 CG TYR A 69 -3.466 12.747 -2.525 1.00 33.50 C ATOM 1088 CD1 TYR A 69 -2.128 12.339 -2.384 1.00 20.31 C ATOM 1089 CD2 TYR A 69 -3.933 13.870 -1.828 1.00 14.33 C ATOM 1090 CE1 TYR A 69 -1.254 13.068 -1.562 1.00 71.33 C ATOM 1091 CE2 TYR A 69 -3.070 14.578 -0.972 1.00 0.20 C ATOM 1092 CZ TYR A 69 -1.718 14.190 -0.844 1.00 24.20 C ATOM 1093 OH TYR A 69 -0.865 14.836 -0.004 1.00 63.25 O ATOM 0 H TYR A 69 -3.588 9.352 -3.300 1.00 23.43 H new ATOM 0 HA TYR A 69 -5.450 11.043 -1.768 1.00 53.25 H new ATOM 0 HB2 TYR A 69 -3.903 11.660 -4.304 1.00 51.12 H new ATOM 0 HB3 TYR A 69 -5.234 12.630 -3.707 1.00 51.12 H new ATOM 0 HD1 TYR A 69 -1.772 11.464 -2.908 1.00 20.31 H new ATOM 0 HD2 TYR A 69 -4.957 14.192 -1.948 1.00 14.33 H new ATOM 0 HE1 TYR A 69 -0.220 12.768 -1.479 1.00 71.33 H new ATOM 0 HE2 TYR A 69 -3.443 15.422 -0.410 1.00 0.20 H new ATOM 0 HH TYR A 69 -1.329 15.589 0.418 1.00 63.25 H new ATOM 1103 N ASP A 70 -7.298 10.619 -3.436 1.00 54.35 N ATOM 1104 CA ASP A 70 -8.476 10.073 -4.089 1.00 40.22 C ATOM 1105 C ASP A 70 -8.944 10.967 -5.236 1.00 55.23 C ATOM 1106 O ASP A 70 -8.204 11.813 -5.745 1.00 61.55 O ATOM 1107 CB ASP A 70 -9.585 9.889 -3.056 1.00 2.12 C ATOM 1108 CG ASP A 70 -10.307 11.188 -2.745 1.00 33.12 C ATOM 1109 OD1 ASP A 70 -9.641 12.247 -2.612 1.00 14.03 O ATOM 1110 OD2 ASP A 70 -11.546 11.156 -2.791 1.00 23.12 O ATOM 0 H ASP A 70 -7.504 11.402 -2.815 1.00 54.35 H new ATOM 0 HA ASP A 70 -8.220 9.105 -4.521 1.00 40.22 H new ATOM 0 HB2 ASP A 70 -10.303 9.156 -3.424 1.00 2.12 H new ATOM 0 HB3 ASP A 70 -9.159 9.484 -2.138 1.00 2.12 H new ATOM 1115 N LYS A 71 -10.190 10.748 -5.658 1.00 75.15 N ATOM 1116 CA LYS A 71 -10.861 11.578 -6.652 1.00 4.33 C ATOM 1117 C LYS A 71 -11.171 12.989 -6.150 1.00 34.53 C ATOM 1118 O LYS A 71 -11.171 13.904 -6.977 1.00 24.50 O ATOM 1119 CB LYS A 71 -12.126 10.920 -7.227 1.00 63.32 C ATOM 1120 CG LYS A 71 -13.185 10.458 -6.208 1.00 75.45 C ATOM 1121 CD LYS A 71 -13.005 9.043 -5.636 1.00 54.03 C ATOM 1122 CE LYS A 71 -13.223 7.900 -6.642 1.00 73.35 C ATOM 1123 NZ LYS A 71 -12.048 7.592 -7.490 1.00 12.41 N ATOM 0 H LYS A 71 -10.766 9.980 -5.314 1.00 75.15 H new ATOM 0 HA LYS A 71 -10.139 11.673 -7.463 1.00 4.33 H new ATOM 0 HB2 LYS A 71 -12.596 11.626 -7.912 1.00 63.32 H new ATOM 0 HB3 LYS A 71 -11.822 10.056 -7.819 1.00 63.32 H new ATOM 0 HG2 LYS A 71 -13.193 11.165 -5.378 1.00 75.45 H new ATOM 0 HG3 LYS A 71 -14.164 10.513 -6.683 1.00 75.45 H new ATOM 0 HD2 LYS A 71 -11.998 8.959 -5.227 1.00 54.03 H new ATOM 0 HD3 LYS A 71 -13.699 8.913 -4.806 1.00 54.03 H new ATOM 0 HE2 LYS A 71 -13.505 7.001 -6.095 1.00 73.35 H new ATOM 0 HE3 LYS A 71 -14.063 8.157 -7.287 1.00 73.35 H new ATOM 0 HZ1 LYS A 71 -12.233 7.901 -8.466 1.00 12.41 H new ATOM 0 HZ2 LYS A 71 -11.213 8.091 -7.121 1.00 12.41 H new ATOM 0 HZ3 LYS A 71 -11.871 6.567 -7.479 1.00 12.41 H new ATOM 1137 N GLU A 72 -11.457 13.179 -4.858 1.00 23.31 N ATOM 1138 CA GLU A 72 -11.633 14.498 -4.260 1.00 51.04 C ATOM 1139 C GLU A 72 -10.306 15.262 -4.205 1.00 72.53 C ATOM 1140 O GLU A 72 -10.341 16.489 -4.098 1.00 12.40 O ATOM 1141 CB GLU A 72 -12.224 14.406 -2.845 1.00 34.44 C ATOM 1142 CG GLU A 72 -13.655 13.863 -2.813 1.00 32.54 C ATOM 1143 CD GLU A 72 -14.346 14.175 -1.483 1.00 55.45 C ATOM 1144 OE1 GLU A 72 -13.806 13.846 -0.407 1.00 24.12 O ATOM 1145 OE2 GLU A 72 -15.440 14.799 -1.505 1.00 61.15 O ATOM 0 H GLU A 72 -11.573 12.412 -4.196 1.00 23.31 H new ATOM 0 HA GLU A 72 -12.333 15.039 -4.896 1.00 51.04 H new ATOM 0 HB2 GLU A 72 -11.587 13.765 -2.235 1.00 34.44 H new ATOM 0 HB3 GLU A 72 -12.210 15.396 -2.389 1.00 34.44 H new ATOM 0 HG2 GLU A 72 -14.228 14.297 -3.632 1.00 32.54 H new ATOM 0 HG3 GLU A 72 -13.639 12.785 -2.972 1.00 32.54 H new ATOM 1152 N GLU A 73 -9.169 14.560 -4.319 1.00 64.11 N ATOM 1153 CA GLU A 73 -7.804 15.064 -4.283 1.00 24.52 C ATOM 1154 C GLU A 73 -7.356 15.419 -2.866 1.00 73.14 C ATOM 1155 O GLU A 73 -6.373 16.144 -2.697 1.00 63.42 O ATOM 1156 CB GLU A 73 -7.576 16.199 -5.298 1.00 13.14 C ATOM 1157 CG GLU A 73 -7.752 15.704 -6.736 1.00 43.04 C ATOM 1158 CD GLU A 73 -7.114 16.682 -7.710 1.00 61.42 C ATOM 1159 OE1 GLU A 73 -5.871 16.834 -7.613 1.00 53.22 O ATOM 1160 OE2 GLU A 73 -7.836 17.255 -8.562 1.00 23.32 O ATOM 0 H GLU A 73 -9.191 13.548 -4.448 1.00 64.11 H new ATOM 0 HA GLU A 73 -7.154 14.249 -4.601 1.00 24.52 H new ATOM 0 HB2 GLU A 73 -8.277 17.011 -5.102 1.00 13.14 H new ATOM 0 HB3 GLU A 73 -6.573 16.606 -5.172 1.00 13.14 H new ATOM 0 HG2 GLU A 73 -7.297 14.720 -6.848 1.00 43.04 H new ATOM 0 HG3 GLU A 73 -8.812 15.593 -6.963 1.00 43.04 H new ATOM 1167 N HIS A 74 -8.026 14.868 -1.853 1.00 3.12 N ATOM 1168 CA HIS A 74 -7.598 14.970 -0.468 1.00 34.12 C ATOM 1169 C HIS A 74 -6.831 13.715 -0.071 1.00 60.33 C ATOM 1170 O HIS A 74 -6.834 12.704 -0.781 1.00 2.22 O ATOM 1171 CB HIS A 74 -8.794 15.217 0.451 1.00 12.11 C ATOM 1172 CG HIS A 74 -9.621 14.000 0.769 1.00 33.31 C ATOM 1173 ND1 HIS A 74 -10.312 13.226 -0.130 1.00 14.21 N ATOM 1174 CD2 HIS A 74 -9.827 13.464 2.010 1.00 4.02 C ATOM 1175 CE1 HIS A 74 -10.969 12.281 0.547 1.00 2.24 C ATOM 1176 NE2 HIS A 74 -10.692 12.374 1.857 1.00 34.30 N ATOM 0 H HIS A 74 -8.887 14.335 -1.978 1.00 3.12 H new ATOM 0 HA HIS A 74 -6.929 15.824 -0.362 1.00 34.12 H new ATOM 0 HB2 HIS A 74 -8.431 15.644 1.386 1.00 12.11 H new ATOM 0 HB3 HIS A 74 -9.439 15.964 -0.012 1.00 12.11 H new ATOM 0 HD2 HIS A 74 -9.401 13.817 2.938 1.00 4.02 H new ATOM 0 HE1 HIS A 74 -11.628 11.548 0.105 1.00 2.24 H new ATOM 0 HE2 HIS A 74 -11.044 11.768 2.598 1.00 34.30 H new ATOM 1184 N CYS A 75 -6.136 13.807 1.056 1.00 3.14 N ATOM 1185 CA CYS A 75 -5.326 12.741 1.605 1.00 31.42 C ATOM 1186 C CYS A 75 -6.200 11.808 2.440 1.00 54.23 C ATOM 1187 O CYS A 75 -6.913 12.289 3.321 1.00 1.02 O ATOM 1188 CB CYS A 75 -4.179 13.352 2.436 1.00 72.43 C ATOM 1189 SG CYS A 75 -4.697 14.789 3.422 1.00 15.22 S ATOM 0 H CYS A 75 -6.124 14.653 1.626 1.00 3.14 H new ATOM 0 HA CYS A 75 -4.885 12.149 0.803 1.00 31.42 H new ATOM 0 HB2 CYS A 75 -3.775 12.589 3.102 1.00 72.43 H new ATOM 0 HB3 CYS A 75 -3.373 13.651 1.766 1.00 72.43 H new ATOM 0 HG CYS A 75 -5.877 14.570 3.921 1.00 15.22 H new ATOM 1195 N THR A 76 -6.131 10.501 2.177 1.00 40.22 N ATOM 1196 CA THR A 76 -6.823 9.485 2.961 1.00 33.53 C ATOM 1197 C THR A 76 -5.876 8.963 4.047 1.00 20.11 C ATOM 1198 O THR A 76 -6.096 9.154 5.243 1.00 23.51 O ATOM 1199 CB THR A 76 -7.337 8.372 2.021 1.00 72.22 C ATOM 1200 OG1 THR A 76 -6.308 7.880 1.169 1.00 51.12 O ATOM 1201 CG2 THR A 76 -8.440 8.914 1.103 1.00 52.45 C ATOM 0 H THR A 76 -5.586 10.118 1.404 1.00 40.22 H new ATOM 0 HA THR A 76 -7.695 9.903 3.463 1.00 33.53 H new ATOM 0 HB THR A 76 -7.706 7.574 2.666 1.00 72.22 H new ATOM 0 HG1 THR A 76 -6.671 7.177 0.591 1.00 51.12 H new ATOM 0 HG21 THR A 76 -8.791 8.118 0.447 1.00 52.45 H new ATOM 0 HG22 THR A 76 -9.270 9.279 1.708 1.00 52.45 H new ATOM 0 HG23 THR A 76 -8.043 9.731 0.501 1.00 52.45 H new ATOM 1209 N GLU A 77 -4.789 8.324 3.620 1.00 2.01 N ATOM 1210 CA GLU A 77 -3.860 7.566 4.439 1.00 4.44 C ATOM 1211 C GLU A 77 -2.471 8.150 4.216 1.00 55.44 C ATOM 1212 O GLU A 77 -2.151 8.499 3.074 1.00 60.14 O ATOM 1213 CB GLU A 77 -3.875 6.102 3.973 1.00 64.15 C ATOM 1214 CG GLU A 77 -5.158 5.336 4.334 1.00 35.20 C ATOM 1215 CD GLU A 77 -5.110 3.890 3.813 1.00 11.42 C ATOM 1216 OE1 GLU A 77 -4.915 3.675 2.585 1.00 20.33 O ATOM 1217 OE2 GLU A 77 -5.219 2.947 4.626 1.00 55.34 O ATOM 0 H GLU A 77 -4.522 8.325 2.636 1.00 2.01 H new ATOM 0 HA GLU A 77 -4.133 7.615 5.493 1.00 4.44 H new ATOM 0 HB2 GLU A 77 -3.742 6.076 2.891 1.00 64.15 H new ATOM 0 HB3 GLU A 77 -3.022 5.585 4.411 1.00 64.15 H new ATOM 0 HG2 GLU A 77 -5.289 5.331 5.416 1.00 35.20 H new ATOM 0 HG3 GLU A 77 -6.022 5.849 3.911 1.00 35.20 H new ATOM 1224 N GLN A 78 -1.613 8.202 5.240 1.00 2.01 N ATOM 1225 CA GLN A 78 -0.232 8.638 5.091 1.00 72.05 C ATOM 1226 C GLN A 78 0.615 7.714 5.968 1.00 32.12 C ATOM 1227 O GLN A 78 0.445 7.746 7.185 1.00 42.12 O ATOM 1228 CB GLN A 78 -0.119 10.148 5.411 1.00 0.53 C ATOM 1229 CG GLN A 78 -0.517 10.608 6.830 1.00 52.51 C ATOM 1230 CD GLN A 78 0.667 11.086 7.663 1.00 61.23 C ATOM 1231 OE1 GLN A 78 0.798 12.250 8.029 1.00 12.30 O ATOM 1232 NE2 GLN A 78 1.550 10.182 8.037 1.00 53.42 N ATOM 0 H GLN A 78 -1.862 7.941 6.194 1.00 2.01 H new ATOM 0 HA GLN A 78 0.140 8.554 4.070 1.00 72.05 H new ATOM 0 HB2 GLN A 78 0.913 10.453 5.236 1.00 0.53 H new ATOM 0 HB3 GLN A 78 -0.737 10.691 4.696 1.00 0.53 H new ATOM 0 HG2 GLN A 78 -1.246 11.414 6.752 1.00 52.51 H new ATOM 0 HG3 GLN A 78 -1.007 9.784 7.348 1.00 52.51 H new ATOM 0 HE21 GLN A 78 1.447 9.213 7.736 1.00 53.42 H new ATOM 0 HE22 GLN A 78 2.337 10.451 8.627 1.00 53.42 H new ATOM 1241 N TYR A 79 1.479 6.866 5.401 1.00 13.20 N ATOM 1242 CA TYR A 79 2.285 5.903 6.161 1.00 24.32 C ATOM 1243 C TYR A 79 3.759 5.878 5.746 1.00 72.35 C ATOM 1244 O TYR A 79 4.125 6.249 4.632 1.00 24.03 O ATOM 1245 CB TYR A 79 1.612 4.512 6.258 1.00 3.24 C ATOM 1246 CG TYR A 79 0.579 4.120 5.218 1.00 73.44 C ATOM 1247 CD1 TYR A 79 0.888 4.158 3.854 1.00 23.02 C ATOM 1248 CD2 TYR A 79 -0.705 3.700 5.617 1.00 12.44 C ATOM 1249 CE1 TYR A 79 -0.079 3.795 2.901 1.00 64.54 C ATOM 1250 CE2 TYR A 79 -1.677 3.346 4.668 1.00 62.42 C ATOM 1251 CZ TYR A 79 -1.375 3.401 3.292 1.00 73.44 C ATOM 1252 OH TYR A 79 -2.294 3.059 2.343 1.00 40.44 O ATOM 0 H TYR A 79 1.640 6.828 4.395 1.00 13.20 H new ATOM 0 HA TYR A 79 2.315 6.269 7.187 1.00 24.32 H new ATOM 0 HB2 TYR A 79 2.402 3.762 6.236 1.00 3.24 H new ATOM 0 HB3 TYR A 79 1.136 4.444 7.236 1.00 3.24 H new ATOM 0 HD1 TYR A 79 1.872 4.467 3.533 1.00 23.02 H new ATOM 0 HD2 TYR A 79 -0.945 3.650 6.669 1.00 12.44 H new ATOM 0 HE1 TYR A 79 0.175 3.818 1.852 1.00 64.54 H new ATOM 0 HE2 TYR A 79 -2.658 3.031 4.993 1.00 62.42 H new ATOM 0 HH TYR A 79 -3.145 3.505 2.536 1.00 40.44 H new ATOM 1262 N HIS A 80 4.631 5.499 6.682 1.00 14.20 N ATOM 1263 CA HIS A 80 6.083 5.565 6.539 1.00 55.45 C ATOM 1264 C HIS A 80 6.599 4.329 5.817 1.00 53.11 C ATOM 1265 O HIS A 80 6.279 3.205 6.210 1.00 22.13 O ATOM 1266 CB HIS A 80 6.766 5.666 7.913 1.00 31.43 C ATOM 1267 CG HIS A 80 7.311 7.034 8.225 1.00 22.31 C ATOM 1268 ND1 HIS A 80 8.225 7.753 7.476 1.00 35.42 N ATOM 1269 CD2 HIS A 80 7.064 7.741 9.368 1.00 33.32 C ATOM 1270 CE1 HIS A 80 8.512 8.874 8.155 1.00 41.43 C ATOM 1271 NE2 HIS A 80 7.831 8.904 9.313 1.00 4.23 N ATOM 0 H HIS A 80 4.336 5.128 7.585 1.00 14.20 H new ATOM 0 HA HIS A 80 6.320 6.456 5.957 1.00 55.45 H new ATOM 0 HB2 HIS A 80 6.049 5.387 8.685 1.00 31.43 H new ATOM 0 HB3 HIS A 80 7.580 4.943 7.957 1.00 31.43 H new ATOM 0 HD1 HIS A 80 8.611 7.481 6.572 1.00 35.42 H new ATOM 0 HD2 HIS A 80 6.397 7.452 10.167 1.00 33.32 H new ATOM 0 HE1 HIS A 80 9.193 9.642 7.819 1.00 41.43 H new ATOM 1279 N ILE A 81 7.466 4.532 4.823 1.00 40.50 N ATOM 1280 CA ILE A 81 8.200 3.457 4.172 1.00 44.31 C ATOM 1281 C ILE A 81 9.338 3.062 5.113 1.00 14.53 C ATOM 1282 O ILE A 81 10.411 3.676 5.082 1.00 43.32 O ATOM 1283 CB ILE A 81 8.733 3.903 2.780 1.00 0.54 C ATOM 1284 CG1 ILE A 81 7.622 4.517 1.894 1.00 63.42 C ATOM 1285 CG2 ILE A 81 9.449 2.737 2.060 1.00 53.43 C ATOM 1286 CD1 ILE A 81 8.087 4.920 0.486 1.00 71.33 C ATOM 0 H ILE A 81 7.677 5.457 4.448 1.00 40.50 H new ATOM 0 HA ILE A 81 7.550 2.602 3.984 1.00 44.31 H new ATOM 0 HB ILE A 81 9.464 4.692 2.956 1.00 0.54 H new ATOM 0 HG12 ILE A 81 6.807 3.799 1.803 1.00 63.42 H new ATOM 0 HG13 ILE A 81 7.217 5.396 2.396 1.00 63.42 H new ATOM 0 HG21 ILE A 81 9.812 3.076 1.090 1.00 53.43 H new ATOM 0 HG22 ILE A 81 10.291 2.399 2.664 1.00 53.43 H new ATOM 0 HG23 ILE A 81 8.750 1.913 1.918 1.00 53.43 H new ATOM 0 HD11 ILE A 81 7.248 5.341 -0.068 1.00 71.33 H new ATOM 0 HD12 ILE A 81 8.880 5.664 0.564 1.00 71.33 H new ATOM 0 HD13 ILE A 81 8.463 4.042 -0.038 1.00 71.33 H new ATOM 1298 N LEU A 82 9.129 2.021 5.923 1.00 61.22 N ATOM 1299 CA LEU A 82 10.230 1.384 6.639 1.00 43.13 C ATOM 1300 C LEU A 82 11.128 0.714 5.607 1.00 53.13 C ATOM 1301 O LEU A 82 12.283 1.099 5.421 1.00 53.40 O ATOM 1302 CB LEU A 82 9.747 0.379 7.699 1.00 32.23 C ATOM 1303 CG LEU A 82 8.739 0.950 8.710 1.00 31.12 C ATOM 1304 CD1 LEU A 82 8.440 -0.117 9.773 1.00 31.14 C ATOM 1305 CD2 LEU A 82 9.262 2.214 9.393 1.00 12.25 C ATOM 0 H LEU A 82 8.214 1.606 6.097 1.00 61.22 H new ATOM 0 HA LEU A 82 10.783 2.143 7.193 1.00 43.13 H new ATOM 0 HB2 LEU A 82 9.291 -0.472 7.193 1.00 32.23 H new ATOM 0 HB3 LEU A 82 10.612 0.001 8.243 1.00 32.23 H new ATOM 0 HG LEU A 82 7.833 1.220 8.167 1.00 31.12 H new ATOM 0 HD11 LEU A 82 7.726 0.279 10.495 1.00 31.14 H new ATOM 0 HD12 LEU A 82 8.019 -1.001 9.293 1.00 31.14 H new ATOM 0 HD13 LEU A 82 9.363 -0.388 10.286 1.00 31.14 H new ATOM 0 HD21 LEU A 82 8.517 2.581 10.098 1.00 12.25 H new ATOM 0 HD22 LEU A 82 10.184 1.984 9.927 1.00 12.25 H new ATOM 0 HD23 LEU A 82 9.459 2.979 8.642 1.00 12.25 H new ATOM 1317 N LYS A 83 10.580 -0.280 4.907 1.00 63.22 N ATOM 1318 CA LYS A 83 11.263 -1.063 3.890 1.00 11.14 C ATOM 1319 C LYS A 83 10.228 -1.499 2.854 1.00 41.44 C ATOM 1320 O LYS A 83 9.017 -1.434 3.097 1.00 55.30 O ATOM 1321 CB LYS A 83 11.927 -2.299 4.530 1.00 53.23 C ATOM 1322 CG LYS A 83 13.081 -2.050 5.517 1.00 44.43 C ATOM 1323 CD LYS A 83 14.371 -1.499 4.891 1.00 32.23 C ATOM 1324 CE LYS A 83 15.023 -2.546 3.978 1.00 11.14 C ATOM 1325 NZ LYS A 83 16.386 -2.154 3.567 1.00 24.13 N ATOM 0 H LYS A 83 9.611 -0.569 5.042 1.00 63.22 H new ATOM 0 HA LYS A 83 12.042 -0.467 3.415 1.00 11.14 H new ATOM 0 HB2 LYS A 83 11.154 -2.865 5.051 1.00 53.23 H new ATOM 0 HB3 LYS A 83 12.301 -2.934 3.727 1.00 53.23 H new ATOM 0 HG2 LYS A 83 12.740 -1.351 6.281 1.00 44.43 H new ATOM 0 HG3 LYS A 83 13.313 -2.987 6.023 1.00 44.43 H new ATOM 0 HD2 LYS A 83 14.147 -0.599 4.318 1.00 32.23 H new ATOM 0 HD3 LYS A 83 15.068 -1.211 5.678 1.00 32.23 H new ATOM 0 HE2 LYS A 83 15.063 -3.504 4.497 1.00 11.14 H new ATOM 0 HE3 LYS A 83 14.405 -2.689 3.092 1.00 11.14 H new ATOM 0 HZ1 LYS A 83 16.788 -2.890 2.952 1.00 24.13 H new ATOM 0 HZ2 LYS A 83 16.347 -1.253 3.049 1.00 24.13 H new ATOM 0 HZ3 LYS A 83 16.984 -2.043 4.410 1.00 24.13 H new ATOM 1339 N LEU A 84 10.722 -1.920 1.692 1.00 73.23 N ATOM 1340 CA LEU A 84 10.008 -2.563 0.599 1.00 72.43 C ATOM 1341 C LEU A 84 11.055 -3.517 -0.001 1.00 1.54 C ATOM 1342 O LEU A 84 12.212 -3.112 -0.079 1.00 71.12 O ATOM 1343 CB LEU A 84 9.539 -1.479 -0.397 1.00 1.32 C ATOM 1344 CG LEU A 84 8.385 -1.872 -1.338 1.00 22.01 C ATOM 1345 CD1 LEU A 84 8.041 -0.699 -2.258 1.00 12.52 C ATOM 1346 CD2 LEU A 84 8.703 -3.064 -2.232 1.00 22.42 C ATOM 0 H LEU A 84 11.713 -1.810 1.476 1.00 73.23 H new ATOM 0 HA LEU A 84 9.109 -3.105 0.893 1.00 72.43 H new ATOM 0 HB2 LEU A 84 9.233 -0.601 0.172 1.00 1.32 H new ATOM 0 HB3 LEU A 84 10.392 -1.182 -1.007 1.00 1.32 H new ATOM 0 HG LEU A 84 7.555 -2.143 -0.685 1.00 22.01 H new ATOM 0 HD11 LEU A 84 7.224 -0.984 -2.921 1.00 12.52 H new ATOM 0 HD12 LEU A 84 7.738 0.158 -1.657 1.00 12.52 H new ATOM 0 HD13 LEU A 84 8.915 -0.434 -2.853 1.00 12.52 H new ATOM 0 HD21 LEU A 84 7.844 -3.282 -2.867 1.00 22.42 H new ATOM 0 HD22 LEU A 84 9.565 -2.831 -2.856 1.00 22.42 H new ATOM 0 HD23 LEU A 84 8.927 -3.933 -1.614 1.00 22.42 H new ATOM 1358 N THR A 85 10.719 -4.746 -0.385 1.00 50.40 N ATOM 1359 CA THR A 85 11.592 -5.681 -1.104 1.00 21.43 C ATOM 1360 C THR A 85 10.749 -6.474 -2.117 1.00 64.31 C ATOM 1361 O THR A 85 9.568 -6.178 -2.334 1.00 74.31 O ATOM 1362 CB THR A 85 12.352 -6.617 -0.134 1.00 72.12 C ATOM 1363 OG1 THR A 85 11.492 -7.588 0.432 1.00 42.33 O ATOM 1364 CG2 THR A 85 13.083 -5.876 0.990 1.00 34.15 C ATOM 0 H THR A 85 9.796 -5.137 -0.198 1.00 50.40 H new ATOM 0 HA THR A 85 12.354 -5.116 -1.640 1.00 21.43 H new ATOM 0 HB THR A 85 13.107 -7.106 -0.750 1.00 72.12 H new ATOM 0 HG1 THR A 85 12.003 -8.164 1.038 1.00 42.33 H new ATOM 0 HG21 THR A 85 13.593 -6.597 1.630 1.00 34.15 H new ATOM 0 HG22 THR A 85 13.814 -5.192 0.559 1.00 34.15 H new ATOM 0 HG23 THR A 85 12.363 -5.311 1.582 1.00 34.15 H new ATOM 1372 N SER A 86 11.308 -7.505 -2.750 1.00 74.44 N ATOM 1373 CA SER A 86 10.573 -8.352 -3.677 1.00 70.21 C ATOM 1374 C SER A 86 9.418 -9.148 -3.054 1.00 50.33 C ATOM 1375 O SER A 86 8.625 -9.697 -3.819 1.00 21.33 O ATOM 1376 CB SER A 86 11.553 -9.281 -4.381 1.00 21.13 C ATOM 1377 OG SER A 86 12.692 -8.586 -4.852 1.00 44.52 O ATOM 0 H SER A 86 12.285 -7.773 -2.631 1.00 74.44 H new ATOM 0 HA SER A 86 10.088 -7.683 -4.388 1.00 70.21 H new ATOM 0 HB2 SER A 86 11.866 -10.067 -3.694 1.00 21.13 H new ATOM 0 HB3 SER A 86 11.054 -9.769 -5.218 1.00 21.13 H new ATOM 0 HG SER A 86 13.298 -9.215 -5.296 1.00 44.52 H new ATOM 1383 N LYS A 87 9.249 -9.201 -1.724 1.00 71.20 N ATOM 1384 CA LYS A 87 8.035 -9.766 -1.125 1.00 1.51 C ATOM 1385 C LYS A 87 7.720 -9.231 0.273 1.00 63.21 C ATOM 1386 O LYS A 87 7.034 -9.889 1.054 1.00 25.31 O ATOM 1387 CB LYS A 87 8.061 -11.301 -1.165 1.00 23.25 C ATOM 1388 CG LYS A 87 9.140 -11.951 -0.286 1.00 5.45 C ATOM 1389 CD LYS A 87 8.739 -13.402 -0.021 1.00 30.11 C ATOM 1390 CE LYS A 87 9.648 -14.041 1.025 1.00 45.51 C ATOM 1391 NZ LYS A 87 9.009 -15.251 1.570 1.00 43.13 N ATOM 0 H LYS A 87 9.934 -8.861 -1.049 1.00 71.20 H new ATOM 0 HA LYS A 87 7.208 -9.423 -1.746 1.00 1.51 H new ATOM 0 HB2 LYS A 87 7.085 -11.675 -0.854 1.00 23.25 H new ATOM 0 HB3 LYS A 87 8.211 -11.621 -2.196 1.00 23.25 H new ATOM 0 HG2 LYS A 87 10.109 -11.910 -0.783 1.00 5.45 H new ATOM 0 HG3 LYS A 87 9.241 -11.408 0.654 1.00 5.45 H new ATOM 0 HD2 LYS A 87 7.704 -13.440 0.320 1.00 30.11 H new ATOM 0 HD3 LYS A 87 8.790 -13.972 -0.949 1.00 30.11 H new ATOM 0 HE2 LYS A 87 10.609 -14.296 0.578 1.00 45.51 H new ATOM 0 HE3 LYS A 87 9.848 -13.332 1.828 1.00 45.51 H new ATOM 0 HZ1 LYS A 87 9.633 -15.682 2.282 1.00 43.13 H new ATOM 0 HZ2 LYS A 87 8.103 -14.996 2.012 1.00 43.13 H new ATOM 0 HZ3 LYS A 87 8.840 -15.931 0.801 1.00 43.13 H new ATOM 1405 N GLU A 88 8.216 -8.055 0.637 1.00 63.40 N ATOM 1406 CA GLU A 88 7.995 -7.494 1.965 1.00 73.33 C ATOM 1407 C GLU A 88 7.719 -6.003 1.796 1.00 32.13 C ATOM 1408 O GLU A 88 8.461 -5.350 1.066 1.00 4.44 O ATOM 1409 CB GLU A 88 9.248 -7.770 2.819 1.00 61.42 C ATOM 1410 CG GLU A 88 8.907 -7.714 4.309 1.00 5.14 C ATOM 1411 CD GLU A 88 10.103 -7.949 5.240 1.00 61.00 C ATOM 1412 OE1 GLU A 88 11.276 -7.833 4.809 1.00 41.53 O ATOM 1413 OE2 GLU A 88 9.859 -8.225 6.441 1.00 31.01 O ATOM 0 H GLU A 88 8.780 -7.466 0.024 1.00 63.40 H new ATOM 0 HA GLU A 88 7.142 -7.944 2.473 1.00 73.33 H new ATOM 0 HB2 GLU A 88 9.656 -8.750 2.570 1.00 61.42 H new ATOM 0 HB3 GLU A 88 10.020 -7.036 2.589 1.00 61.42 H new ATOM 0 HG2 GLU A 88 8.473 -6.740 4.534 1.00 5.14 H new ATOM 0 HG3 GLU A 88 8.143 -8.461 4.523 1.00 5.14 H new ATOM 1420 N MET A 89 6.679 -5.452 2.425 1.00 42.54 N ATOM 1421 CA MET A 89 6.412 -4.017 2.464 1.00 5.54 C ATOM 1422 C MET A 89 5.836 -3.629 3.828 1.00 21.45 C ATOM 1423 O MET A 89 4.712 -3.997 4.190 1.00 64.00 O ATOM 1424 CB MET A 89 5.505 -3.615 1.298 1.00 74.01 C ATOM 1425 CG MET A 89 5.254 -2.106 1.272 1.00 70.03 C ATOM 1426 SD MET A 89 4.389 -1.534 -0.214 1.00 11.04 S ATOM 1427 CE MET A 89 2.706 -1.930 0.303 1.00 53.33 C ATOM 0 H MET A 89 5.986 -6.004 2.931 1.00 42.54 H new ATOM 0 HA MET A 89 7.343 -3.464 2.342 1.00 5.54 H new ATOM 0 HB2 MET A 89 5.962 -3.924 0.358 1.00 74.01 H new ATOM 0 HB3 MET A 89 4.554 -4.141 1.378 1.00 74.01 H new ATOM 0 HG2 MET A 89 4.670 -1.829 2.150 1.00 70.03 H new ATOM 0 HG3 MET A 89 6.209 -1.587 1.347 1.00 70.03 H new ATOM 0 HE1 MET A 89 2.179 -2.417 -0.517 1.00 53.33 H new ATOM 0 HE2 MET A 89 2.737 -2.599 1.163 1.00 53.33 H new ATOM 0 HE3 MET A 89 2.184 -1.013 0.576 1.00 53.33 H new ATOM 1437 N LYS A 90 6.625 -2.886 4.601 1.00 75.22 N ATOM 1438 CA LYS A 90 6.358 -2.514 5.986 1.00 3.15 C ATOM 1439 C LYS A 90 6.037 -1.026 6.039 1.00 72.44 C ATOM 1440 O LYS A 90 6.940 -0.194 6.137 1.00 75.11 O ATOM 1441 CB LYS A 90 7.564 -2.882 6.864 1.00 42.33 C ATOM 1442 CG LYS A 90 7.632 -4.376 7.223 1.00 54.42 C ATOM 1443 CD LYS A 90 9.051 -4.789 7.648 1.00 74.04 C ATOM 1444 CE LYS A 90 9.027 -5.892 8.714 1.00 11.12 C ATOM 1445 NZ LYS A 90 10.263 -6.697 8.721 1.00 3.35 N ATOM 0 H LYS A 90 7.510 -2.510 4.261 1.00 75.22 H new ATOM 0 HA LYS A 90 5.499 -3.061 6.375 1.00 3.15 H new ATOM 0 HB2 LYS A 90 8.480 -2.600 6.345 1.00 42.33 H new ATOM 0 HB3 LYS A 90 7.525 -2.298 7.783 1.00 42.33 H new ATOM 0 HG2 LYS A 90 6.932 -4.589 8.031 1.00 54.42 H new ATOM 0 HG3 LYS A 90 7.320 -4.972 6.365 1.00 54.42 H new ATOM 0 HD2 LYS A 90 9.605 -5.138 6.776 1.00 74.04 H new ATOM 0 HD3 LYS A 90 9.582 -3.920 8.036 1.00 74.04 H new ATOM 0 HE2 LYS A 90 8.885 -5.441 9.696 1.00 11.12 H new ATOM 0 HE3 LYS A 90 8.173 -6.545 8.537 1.00 11.12 H new ATOM 0 HZ1 LYS A 90 10.329 -7.224 9.615 1.00 3.35 H new ATOM 0 HZ2 LYS A 90 10.246 -7.367 7.925 1.00 3.35 H new ATOM 0 HZ3 LYS A 90 11.087 -6.069 8.627 1.00 3.35 H new ATOM 1459 N TRP A 91 4.758 -0.695 5.873 1.00 0.11 N ATOM 1460 CA TRP A 91 4.190 0.633 6.029 1.00 71.31 C ATOM 1461 C TRP A 91 3.900 0.784 7.510 1.00 55.54 C ATOM 1462 O TRP A 91 3.014 0.086 8.000 1.00 22.42 O ATOM 1463 CB TRP A 91 2.916 0.750 5.179 1.00 44.20 C ATOM 1464 CG TRP A 91 3.109 1.123 3.729 1.00 32.34 C ATOM 1465 CD1 TRP A 91 2.119 1.561 2.922 1.00 43.41 C ATOM 1466 CD2 TRP A 91 4.309 1.140 2.881 1.00 55.22 C ATOM 1467 NE1 TRP A 91 2.634 1.994 1.727 1.00 55.43 N ATOM 1468 CE2 TRP A 91 3.970 1.709 1.617 1.00 0.15 C ATOM 1469 CE3 TRP A 91 5.647 0.713 3.005 1.00 35.24 C ATOM 1470 CZ2 TRP A 91 4.895 1.864 0.571 1.00 63.02 C ATOM 1471 CZ3 TRP A 91 6.565 0.802 1.951 1.00 33.35 C ATOM 1472 CH2 TRP A 91 6.201 1.390 0.732 1.00 20.11 C ATOM 0 H TRP A 91 4.056 -1.387 5.612 1.00 0.11 H new ATOM 0 HA TRP A 91 4.863 1.422 5.692 1.00 71.31 H new ATOM 0 HB2 TRP A 91 2.389 -0.204 5.219 1.00 44.20 H new ATOM 0 HB3 TRP A 91 2.265 1.493 5.639 1.00 44.20 H new ATOM 0 HD1 TRP A 91 1.071 1.569 3.181 1.00 43.41 H new ATOM 0 HE1 TRP A 91 2.089 2.470 1.008 1.00 55.43 H new ATOM 0 HE3 TRP A 91 5.976 0.302 3.948 1.00 35.24 H new ATOM 0 HZ2 TRP A 91 4.600 2.345 -0.350 1.00 63.02 H new ATOM 0 HZ3 TRP A 91 7.564 0.413 2.079 1.00 33.35 H new ATOM 0 HH2 TRP A 91 6.918 1.476 -0.071 1.00 20.11 H new ATOM 1483 N GLU A 92 4.645 1.637 8.221 1.00 31.42 N ATOM 1484 CA GLU A 92 4.283 2.003 9.591 1.00 0.42 C ATOM 1485 C GLU A 92 3.259 3.139 9.565 1.00 61.11 C ATOM 1486 O GLU A 92 3.281 3.941 8.634 1.00 13.12 O ATOM 1487 CB GLU A 92 5.507 2.441 10.409 1.00 60.31 C ATOM 1488 CG GLU A 92 5.256 2.349 11.934 1.00 61.02 C ATOM 1489 CD GLU A 92 5.611 3.636 12.692 1.00 15.23 C ATOM 1490 OE1 GLU A 92 4.982 4.684 12.475 1.00 40.11 O ATOM 1491 OE2 GLU A 92 6.527 3.600 13.552 1.00 73.01 O ATOM 0 H GLU A 92 5.494 2.082 7.873 1.00 31.42 H new ATOM 0 HA GLU A 92 3.858 1.120 10.068 1.00 0.42 H new ATOM 0 HB2 GLU A 92 6.360 1.817 10.145 1.00 60.31 H new ATOM 0 HB3 GLU A 92 5.769 3.466 10.147 1.00 60.31 H new ATOM 0 HG2 GLU A 92 4.206 2.112 12.108 1.00 61.02 H new ATOM 0 HG3 GLU A 92 5.840 1.524 12.341 1.00 61.02 H new ATOM 1498 N ASN A 93 2.444 3.259 10.616 1.00 75.12 N ATOM 1499 CA ASN A 93 1.423 4.267 10.820 1.00 23.34 C ATOM 1500 C ASN A 93 1.895 5.687 10.520 1.00 34.12 C ATOM 1501 O ASN A 93 1.127 6.403 9.889 1.00 13.54 O ATOM 1502 CB ASN A 93 0.915 4.160 12.269 1.00 51.31 C ATOM 1503 CG ASN A 93 0.326 5.484 12.738 1.00 63.12 C ATOM 1504 OD1 ASN A 93 0.983 6.171 13.509 1.00 3.53 O ATOM 1505 ND2 ASN A 93 -0.833 5.885 12.224 1.00 44.12 N ATOM 0 H ASN A 93 2.491 2.604 11.397 1.00 75.12 H new ATOM 0 HA ASN A 93 0.619 4.073 10.110 1.00 23.34 H new ATOM 0 HB2 ASN A 93 0.160 3.377 12.337 1.00 51.31 H new ATOM 0 HB3 ASN A 93 1.735 3.869 12.926 1.00 51.31 H new ATOM 0 HD21 ASN A 93 -1.210 6.801 12.469 1.00 44.12 H new ATOM 0 HD22 ASN A 93 -1.345 5.277 11.585 1.00 44.12 H new ATOM 1512 N ALA A 94 3.079 6.101 10.970 1.00 51.13 N ATOM 1513 CA ALA A 94 3.596 7.465 10.937 1.00 51.55 C ATOM 1514 C ALA A 94 2.829 8.422 11.855 1.00 32.02 C ATOM 1515 O ALA A 94 3.423 8.957 12.792 1.00 73.22 O ATOM 1516 CB ALA A 94 3.699 8.001 9.497 1.00 15.51 C ATOM 0 H ALA A 94 3.742 5.451 11.393 1.00 51.13 H new ATOM 0 HA ALA A 94 4.608 7.416 11.339 1.00 51.55 H new ATOM 0 HB1 ALA A 94 4.088 9.019 9.515 1.00 15.51 H new ATOM 0 HB2 ALA A 94 4.371 7.366 8.920 1.00 15.51 H new ATOM 0 HB3 ALA A 94 2.711 7.998 9.036 1.00 15.51 H new ATOM 1522 N SER A 95 1.545 8.650 11.582 1.00 71.24 N ATOM 1523 CA SER A 95 0.735 9.706 12.185 1.00 34.44 C ATOM 1524 C SER A 95 -0.447 9.077 12.943 1.00 12.44 C ATOM 1525 O SER A 95 -1.534 8.900 12.382 1.00 72.01 O ATOM 1526 CB SER A 95 0.320 10.759 11.150 1.00 51.51 C ATOM 1527 OG SER A 95 1.436 11.446 10.609 1.00 74.04 O ATOM 0 H SER A 95 1.023 8.085 10.912 1.00 71.24 H new ATOM 0 HA SER A 95 1.330 10.253 12.916 1.00 34.44 H new ATOM 0 HB2 SER A 95 -0.233 10.276 10.344 1.00 51.51 H new ATOM 0 HB3 SER A 95 -0.356 11.477 11.615 1.00 51.51 H new ATOM 0 HG SER A 95 1.174 12.361 10.374 1.00 74.04 H new ATOM 1533 N PRO A 96 -0.280 8.679 14.216 1.00 75.03 N ATOM 1534 CA PRO A 96 -1.313 7.975 14.980 1.00 55.32 C ATOM 1535 C PRO A 96 -2.524 8.877 15.215 1.00 52.55 C ATOM 1536 O PRO A 96 -3.650 8.408 15.368 1.00 44.21 O ATOM 1537 CB PRO A 96 -0.641 7.581 16.294 1.00 72.44 C ATOM 1538 CG PRO A 96 0.380 8.697 16.491 1.00 61.12 C ATOM 1539 CD PRO A 96 0.841 9.017 15.070 1.00 44.14 C ATOM 0 HA PRO A 96 -1.692 7.101 14.450 1.00 55.32 H new ATOM 0 HB2 PRO A 96 -1.355 7.534 17.117 1.00 72.44 H new ATOM 0 HB3 PRO A 96 -0.165 6.603 16.229 1.00 72.44 H new ATOM 0 HG2 PRO A 96 -0.065 9.567 16.974 1.00 61.12 H new ATOM 0 HG3 PRO A 96 1.211 8.374 17.119 1.00 61.12 H new ATOM 0 HD2 PRO A 96 1.107 10.069 14.971 1.00 44.14 H new ATOM 0 HD3 PRO A 96 1.726 8.438 14.804 1.00 44.14 H new ATOM 1547 N LYS A 97 -2.290 10.188 15.170 1.00 0.51 N ATOM 1548 CA LYS A 97 -3.274 11.246 15.270 1.00 41.53 C ATOM 1549 C LYS A 97 -4.422 11.060 14.292 1.00 53.34 C ATOM 1550 O LYS A 97 -5.545 11.445 14.614 1.00 22.10 O ATOM 1551 CB LYS A 97 -2.541 12.582 15.050 1.00 41.13 C ATOM 1552 CG LYS A 97 -2.495 13.069 13.589 1.00 52.54 C ATOM 1553 CD LYS A 97 -1.566 14.266 13.390 1.00 55.13 C ATOM 1554 CE LYS A 97 -1.941 15.511 14.199 1.00 24.41 C ATOM 1555 NZ LYS A 97 -3.243 16.095 13.801 1.00 75.05 N ATOM 0 H LYS A 97 -1.345 10.555 15.055 1.00 0.51 H new ATOM 0 HA LYS A 97 -3.736 11.229 16.257 1.00 41.53 H new ATOM 0 HB2 LYS A 97 -3.024 13.348 15.657 1.00 41.13 H new ATOM 0 HB3 LYS A 97 -1.519 12.483 15.416 1.00 41.13 H new ATOM 0 HG2 LYS A 97 -2.167 12.250 12.949 1.00 52.54 H new ATOM 0 HG3 LYS A 97 -3.501 13.340 13.270 1.00 52.54 H new ATOM 0 HD2 LYS A 97 -0.552 13.969 13.656 1.00 55.13 H new ATOM 0 HD3 LYS A 97 -1.555 14.527 12.332 1.00 55.13 H new ATOM 0 HE2 LYS A 97 -1.974 15.252 15.257 1.00 24.41 H new ATOM 0 HE3 LYS A 97 -1.161 16.263 14.079 1.00 24.41 H new ATOM 0 HZ1 LYS A 97 -3.440 16.933 14.384 1.00 75.05 H new ATOM 0 HZ2 LYS A 97 -3.208 16.371 12.799 1.00 75.05 H new ATOM 0 HZ3 LYS A 97 -3.996 15.392 13.940 1.00 75.05 H new ATOM 1569 N ASP A 98 -4.130 10.528 13.107 1.00 60.03 N ATOM 1570 CA ASP A 98 -5.082 10.428 12.013 1.00 42.11 C ATOM 1571 C ASP A 98 -5.695 9.040 11.993 1.00 71.31 C ATOM 1572 O ASP A 98 -6.889 8.908 11.726 1.00 74.04 O ATOM 1573 CB ASP A 98 -4.387 10.756 10.679 1.00 4.20 C ATOM 1574 CG ASP A 98 -5.014 11.978 10.016 1.00 72.13 C ATOM 1575 OD1 ASP A 98 -5.262 12.988 10.710 1.00 14.20 O ATOM 1576 OD2 ASP A 98 -5.230 11.972 8.786 1.00 11.01 O ATOM 0 H ASP A 98 -3.210 10.150 12.881 1.00 60.03 H new ATOM 0 HA ASP A 98 -5.885 11.151 12.158 1.00 42.11 H new ATOM 0 HB2 ASP A 98 -3.327 10.938 10.854 1.00 4.20 H new ATOM 0 HB3 ASP A 98 -4.457 9.899 10.009 1.00 4.20 H new ATOM 1581 N GLY A 99 -4.893 8.031 12.348 1.00 72.02 N ATOM 1582 CA GLY A 99 -5.291 6.636 12.343 1.00 52.51 C ATOM 1583 C GLY A 99 -4.862 6.013 11.024 1.00 31.02 C ATOM 1584 O GLY A 99 -5.530 6.187 10.006 1.00 51.14 O ATOM 0 H GLY A 99 -3.930 8.174 12.652 1.00 72.02 H new ATOM 0 HA2 GLY A 99 -4.830 6.108 13.178 1.00 52.51 H new ATOM 0 HA3 GLY A 99 -6.370 6.550 12.468 1.00 52.51 H new ATOM 1588 N ASN A 100 -3.720 5.322 11.033 1.00 74.33 N ATOM 1589 CA ASN A 100 -3.248 4.512 9.910 1.00 62.35 C ATOM 1590 C ASN A 100 -2.632 3.237 10.469 1.00 4.21 C ATOM 1591 O ASN A 100 -2.219 3.252 11.629 1.00 21.43 O ATOM 1592 CB ASN A 100 -2.198 5.249 9.067 1.00 40.44 C ATOM 1593 CG ASN A 100 -2.891 6.098 8.022 1.00 72.34 C ATOM 1594 OD1 ASN A 100 -3.268 5.593 6.979 1.00 74.44 O ATOM 1595 ND2 ASN A 100 -3.072 7.380 8.273 1.00 53.15 N ATOM 0 H ASN A 100 -3.088 5.310 11.834 1.00 74.33 H new ATOM 0 HA ASN A 100 -4.096 4.295 9.261 1.00 62.35 H new ATOM 0 HB2 ASN A 100 -1.578 5.876 9.707 1.00 40.44 H new ATOM 0 HB3 ASN A 100 -1.534 4.531 8.585 1.00 40.44 H new ATOM 0 HD21 ASN A 100 -3.537 7.973 7.586 1.00 53.15 H new ATOM 0 HD22 ASN A 100 -2.747 7.778 9.154 1.00 53.15 H new ATOM 1602 N SER A 101 -2.475 2.189 9.658 1.00 20.00 N ATOM 1603 CA SER A 101 -2.237 0.842 10.174 1.00 3.30 C ATOM 1604 C SER A 101 -0.839 0.321 9.805 1.00 15.33 C ATOM 1605 O SER A 101 -0.427 0.360 8.639 1.00 41.14 O ATOM 1606 CB SER A 101 -3.354 -0.080 9.681 1.00 22.24 C ATOM 1607 OG SER A 101 -4.607 0.586 9.742 1.00 32.02 O ATOM 0 H SER A 101 -2.509 2.249 8.640 1.00 20.00 H new ATOM 0 HA SER A 101 -2.257 0.866 11.264 1.00 3.30 H new ATOM 0 HB2 SER A 101 -3.151 -0.393 8.657 1.00 22.24 H new ATOM 0 HB3 SER A 101 -3.385 -0.983 10.290 1.00 22.24 H new ATOM 0 HG SER A 101 -5.312 -0.014 9.422 1.00 32.02 H new ATOM 1613 N ASP A 102 -0.107 -0.190 10.796 1.00 31.40 N ATOM 1614 CA ASP A 102 1.311 -0.562 10.728 1.00 22.02 C ATOM 1615 C ASP A 102 1.510 -2.054 10.417 1.00 11.44 C ATOM 1616 O ASP A 102 2.210 -2.779 11.126 1.00 75.13 O ATOM 1617 CB ASP A 102 2.104 -0.063 11.957 1.00 21.24 C ATOM 1618 CG ASP A 102 1.982 -0.890 13.241 1.00 15.51 C ATOM 1619 OD1 ASP A 102 0.844 -1.096 13.713 1.00 52.32 O ATOM 1620 OD2 ASP A 102 3.032 -1.236 13.826 1.00 74.20 O ATOM 0 H ASP A 102 -0.507 -0.366 11.718 1.00 31.40 H new ATOM 0 HA ASP A 102 1.742 -0.036 9.876 1.00 22.02 H new ATOM 0 HB2 ASP A 102 3.158 -0.014 11.684 1.00 21.24 H new ATOM 0 HB3 ASP A 102 1.784 0.955 12.177 1.00 21.24 H new ATOM 1625 N LYS A 103 0.881 -2.536 9.342 1.00 0.41 N ATOM 1626 CA LYS A 103 0.809 -3.974 9.002 1.00 75.13 C ATOM 1627 C LYS A 103 1.984 -4.423 8.128 1.00 40.40 C ATOM 1628 O LYS A 103 2.935 -3.650 7.948 1.00 60.03 O ATOM 1629 CB LYS A 103 -0.550 -4.324 8.372 1.00 21.05 C ATOM 1630 CG LYS A 103 -0.755 -3.678 7.005 1.00 34.22 C ATOM 1631 CD LYS A 103 -1.657 -2.446 7.138 1.00 40.22 C ATOM 1632 CE LYS A 103 -1.495 -1.499 5.955 1.00 20.41 C ATOM 1633 NZ LYS A 103 -0.224 -0.741 6.007 1.00 73.33 N ATOM 0 H LYS A 103 0.399 -1.938 8.670 1.00 0.41 H new ATOM 0 HA LYS A 103 0.893 -4.534 9.933 1.00 75.13 H new ATOM 0 HB2 LYS A 103 -0.631 -5.406 8.272 1.00 21.05 H new ATOM 0 HB3 LYS A 103 -1.348 -4.005 9.042 1.00 21.05 H new ATOM 0 HG2 LYS A 103 0.207 -3.390 6.581 1.00 34.22 H new ATOM 0 HG3 LYS A 103 -1.204 -4.395 6.318 1.00 34.22 H new ATOM 0 HD2 LYS A 103 -2.697 -2.763 7.211 1.00 40.22 H new ATOM 0 HD3 LYS A 103 -1.419 -1.919 8.062 1.00 40.22 H new ATOM 0 HE2 LYS A 103 -1.536 -2.070 5.028 1.00 20.41 H new ATOM 0 HE3 LYS A 103 -2.331 -0.800 5.936 1.00 20.41 H new ATOM 0 HZ1 LYS A 103 -0.221 -0.017 5.260 1.00 73.33 H new ATOM 0 HZ2 LYS A 103 -0.132 -0.281 6.935 1.00 73.33 H new ATOM 0 HZ3 LYS A 103 0.574 -1.392 5.862 1.00 73.33 H new ATOM 1647 N ARG A 104 1.938 -5.621 7.529 1.00 35.02 N ATOM 1648 CA ARG A 104 2.985 -6.126 6.646 1.00 44.32 C ATOM 1649 C ARG A 104 2.371 -6.724 5.383 1.00 24.34 C ATOM 1650 O ARG A 104 1.908 -7.860 5.382 1.00 44.10 O ATOM 1651 CB ARG A 104 3.871 -7.163 7.371 1.00 60.40 C ATOM 1652 CG ARG A 104 4.533 -6.645 8.660 1.00 21.33 C ATOM 1653 CD ARG A 104 3.675 -6.897 9.911 1.00 44.42 C ATOM 1654 NE ARG A 104 4.029 -5.968 10.995 1.00 63.42 N ATOM 1655 CZ ARG A 104 3.822 -6.166 12.302 1.00 4.14 C ATOM 1656 NH1 ARG A 104 3.156 -7.227 12.749 1.00 62.33 N ATOM 1657 NH2 ARG A 104 4.308 -5.290 13.172 1.00 12.33 N ATOM 0 H ARG A 104 1.161 -6.271 7.649 1.00 35.02 H new ATOM 0 HA ARG A 104 3.622 -5.289 6.358 1.00 44.32 H new ATOM 0 HB2 ARG A 104 3.263 -8.035 7.614 1.00 60.40 H new ATOM 0 HB3 ARG A 104 4.650 -7.498 6.687 1.00 60.40 H new ATOM 0 HG2 ARG A 104 5.502 -7.129 8.786 1.00 21.33 H new ATOM 0 HG3 ARG A 104 4.721 -5.576 8.563 1.00 21.33 H new ATOM 0 HD2 ARG A 104 2.620 -6.783 9.661 1.00 44.42 H new ATOM 0 HD3 ARG A 104 3.813 -7.924 10.249 1.00 44.42 H new ATOM 0 HE ARG A 104 4.474 -5.091 10.725 1.00 63.42 H new ATOM 0 HH11 ARG A 104 2.789 -7.914 12.090 1.00 62.33 H new ATOM 0 HH12 ARG A 104 3.012 -7.354 13.751 1.00 62.33 H new ATOM 0 HH21 ARG A 104 4.831 -4.479 12.841 1.00 12.33 H new ATOM 0 HH22 ARG A 104 4.158 -5.427 14.172 1.00 12.33 H new ATOM 1671 N LEU A 105 2.343 -5.964 4.285 1.00 70.41 N ATOM 1672 CA LEU A 105 1.912 -6.527 3.009 1.00 21.42 C ATOM 1673 C LEU A 105 3.080 -7.357 2.505 1.00 63.32 C ATOM 1674 O LEU A 105 4.204 -6.856 2.423 1.00 2.44 O ATOM 1675 CB LEU A 105 1.543 -5.479 1.946 1.00 13.12 C ATOM 1676 CG LEU A 105 0.290 -4.630 2.227 1.00 34.35 C ATOM 1677 CD1 LEU A 105 0.581 -3.583 3.294 1.00 55.24 C ATOM 1678 CD2 LEU A 105 -0.240 -3.967 0.947 1.00 63.53 C ATOM 0 H LEU A 105 2.608 -4.979 4.255 1.00 70.41 H new ATOM 0 HA LEU A 105 1.001 -7.103 3.174 1.00 21.42 H new ATOM 0 HB2 LEU A 105 2.391 -4.806 1.822 1.00 13.12 H new ATOM 0 HB3 LEU A 105 1.401 -5.992 0.995 1.00 13.12 H new ATOM 0 HG LEU A 105 -0.487 -5.298 2.598 1.00 34.35 H new ATOM 0 HD11 LEU A 105 -0.317 -2.993 3.479 1.00 55.24 H new ATOM 0 HD12 LEU A 105 0.886 -4.078 4.216 1.00 55.24 H new ATOM 0 HD13 LEU A 105 1.382 -2.928 2.952 1.00 55.24 H new ATOM 0 HD21 LEU A 105 -1.125 -3.376 1.183 1.00 63.53 H new ATOM 0 HD22 LEU A 105 0.529 -3.318 0.528 1.00 63.53 H new ATOM 0 HD23 LEU A 105 -0.501 -4.736 0.220 1.00 63.53 H new ATOM 1690 N GLU A 106 2.835 -8.605 2.120 1.00 5.33 N ATOM 1691 CA GLU A 106 3.912 -9.531 1.759 1.00 45.21 C ATOM 1692 C GLU A 106 3.676 -10.189 0.412 1.00 14.43 C ATOM 1693 O GLU A 106 3.779 -11.402 0.248 1.00 53.33 O ATOM 1694 CB GLU A 106 4.270 -10.489 2.882 1.00 23.24 C ATOM 1695 CG GLU A 106 3.086 -11.252 3.449 1.00 74.41 C ATOM 1696 CD GLU A 106 3.590 -12.375 4.353 1.00 24.31 C ATOM 1697 OE1 GLU A 106 4.490 -12.093 5.185 1.00 61.34 O ATOM 1698 OE2 GLU A 106 3.195 -13.538 4.130 1.00 44.51 O ATOM 0 H GLU A 106 1.899 -9.003 2.049 1.00 5.33 H new ATOM 0 HA GLU A 106 4.814 -8.935 1.624 1.00 45.21 H new ATOM 0 HB2 GLU A 106 5.006 -11.204 2.514 1.00 23.24 H new ATOM 0 HB3 GLU A 106 4.745 -9.927 3.686 1.00 23.24 H new ATOM 0 HG2 GLU A 106 2.442 -10.578 4.013 1.00 74.41 H new ATOM 0 HG3 GLU A 106 2.484 -11.665 2.639 1.00 74.41 H new ATOM 1705 N LYS A 107 3.409 -9.334 -0.574 1.00 3.01 N ATOM 1706 CA LYS A 107 3.076 -9.655 -1.948 1.00 2.05 C ATOM 1707 C LYS A 107 1.708 -10.328 -2.044 1.00 23.35 C ATOM 1708 O LYS A 107 1.004 -10.484 -1.044 1.00 73.52 O ATOM 1709 CB LYS A 107 4.225 -10.474 -2.561 1.00 73.54 C ATOM 1710 CG LYS A 107 4.548 -10.012 -3.981 1.00 11.35 C ATOM 1711 CD LYS A 107 5.307 -8.677 -3.923 1.00 41.04 C ATOM 1712 CE LYS A 107 5.106 -7.852 -5.185 1.00 31.23 C ATOM 1713 NZ LYS A 107 6.021 -8.320 -6.248 1.00 71.30 N ATOM 0 H LYS A 107 3.423 -8.327 -0.414 1.00 3.01 H new ATOM 0 HA LYS A 107 2.978 -8.744 -2.538 1.00 2.05 H new ATOM 0 HB2 LYS A 107 5.113 -10.380 -1.936 1.00 73.54 H new ATOM 0 HB3 LYS A 107 3.954 -11.530 -2.574 1.00 73.54 H new ATOM 0 HG2 LYS A 107 5.150 -10.763 -4.492 1.00 11.35 H new ATOM 0 HG3 LYS A 107 3.629 -9.896 -4.555 1.00 11.35 H new ATOM 0 HD2 LYS A 107 4.969 -8.105 -3.059 1.00 41.04 H new ATOM 0 HD3 LYS A 107 6.370 -8.870 -3.782 1.00 41.04 H new ATOM 0 HE2 LYS A 107 4.073 -7.934 -5.522 1.00 31.23 H new ATOM 0 HE3 LYS A 107 5.290 -6.799 -4.974 1.00 31.23 H new ATOM 0 HZ1 LYS A 107 5.876 -7.750 -7.106 1.00 71.30 H new ATOM 0 HZ2 LYS A 107 7.005 -8.220 -5.928 1.00 71.30 H new ATOM 0 HZ3 LYS A 107 5.826 -9.319 -6.459 1.00 71.30 H new ATOM 1727 N TYR A 108 1.250 -10.614 -3.258 1.00 50.34 N ATOM 1728 CA TYR A 108 -0.054 -11.213 -3.480 1.00 12.32 C ATOM 1729 C TYR A 108 0.111 -12.710 -3.289 1.00 4.23 C ATOM 1730 O TYR A 108 0.591 -13.406 -4.188 1.00 24.44 O ATOM 1731 CB TYR A 108 -0.612 -10.808 -4.846 1.00 3.11 C ATOM 1732 CG TYR A 108 -2.065 -11.148 -5.141 1.00 22.24 C ATOM 1733 CD1 TYR A 108 -3.085 -10.896 -4.198 1.00 62.34 C ATOM 1734 CD2 TYR A 108 -2.417 -11.565 -6.438 1.00 2.15 C ATOM 1735 CE1 TYR A 108 -4.438 -10.993 -4.575 1.00 50.21 C ATOM 1736 CE2 TYR A 108 -3.763 -11.704 -6.810 1.00 13.42 C ATOM 1737 CZ TYR A 108 -4.784 -11.397 -5.886 1.00 62.50 C ATOM 1738 OH TYR A 108 -6.084 -11.403 -6.294 1.00 52.04 O ATOM 0 H TYR A 108 1.775 -10.436 -4.114 1.00 50.34 H new ATOM 0 HA TYR A 108 -0.798 -10.855 -2.768 1.00 12.32 H new ATOM 0 HB2 TYR A 108 -0.491 -9.730 -4.952 1.00 3.11 H new ATOM 0 HB3 TYR A 108 0.005 -11.276 -5.613 1.00 3.11 H new ATOM 0 HD1 TYR A 108 -2.827 -10.628 -3.184 1.00 62.34 H new ATOM 0 HD2 TYR A 108 -1.641 -11.781 -7.157 1.00 2.15 H new ATOM 0 HE1 TYR A 108 -5.214 -10.758 -3.861 1.00 50.21 H new ATOM 0 HE2 TYR A 108 -4.017 -12.046 -7.803 1.00 13.42 H new ATOM 0 HH TYR A 108 -6.134 -11.708 -7.224 1.00 52.04 H new ATOM 1748 N ASN A 109 -0.250 -13.179 -2.094 1.00 41.30 N ATOM 1749 CA ASN A 109 -0.169 -14.582 -1.676 1.00 12.33 C ATOM 1750 C ASN A 109 -1.293 -15.437 -2.265 1.00 51.21 C ATOM 1751 O ASN A 109 -1.505 -16.574 -1.844 1.00 10.34 O ATOM 1752 CB ASN A 109 -0.138 -14.673 -0.141 1.00 4.22 C ATOM 1753 CG ASN A 109 1.235 -14.330 0.407 1.00 13.01 C ATOM 1754 OD1 ASN A 109 1.998 -15.218 0.764 1.00 71.40 O ATOM 1755 ND2 ASN A 109 1.583 -13.060 0.470 1.00 70.43 N ATOM 0 H ASN A 109 -0.620 -12.572 -1.363 1.00 41.30 H new ATOM 0 HA ASN A 109 0.760 -14.991 -2.072 1.00 12.33 H new ATOM 0 HB2 ASN A 109 -0.879 -13.994 0.280 1.00 4.22 H new ATOM 0 HB3 ASN A 109 -0.415 -15.680 0.171 1.00 4.22 H new ATOM 0 HD21 ASN A 109 2.505 -12.801 0.822 1.00 70.43 H new ATOM 0 HD22 ASN A 109 0.931 -12.337 0.167 1.00 70.43 H new ATOM 1762 N ASP A 110 -2.012 -14.880 -3.236 1.00 22.11 N ATOM 1763 CA ASP A 110 -3.254 -15.376 -3.814 1.00 62.44 C ATOM 1764 C ASP A 110 -4.332 -15.531 -2.747 1.00 34.22 C ATOM 1765 O ASP A 110 -5.174 -16.440 -2.818 1.00 22.44 O ATOM 1766 CB ASP A 110 -2.970 -16.655 -4.618 1.00 70.51 C ATOM 1767 CG ASP A 110 -3.937 -16.817 -5.775 1.00 33.32 C ATOM 1768 OD1 ASP A 110 -3.685 -16.185 -6.822 1.00 45.41 O ATOM 1769 OD2 ASP A 110 -4.850 -17.680 -5.714 1.00 1.15 O ATOM 0 H ASP A 110 -1.718 -14.005 -3.670 1.00 22.11 H new ATOM 0 HA ASP A 110 -3.659 -14.648 -4.517 1.00 62.44 H new ATOM 0 HB2 ASP A 110 -1.949 -16.626 -4.998 1.00 70.51 H new ATOM 0 HB3 ASP A 110 -3.041 -17.521 -3.960 1.00 70.51 H new