USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 658 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 8 CYS SG : rot 152:sc= -3.93 USER MOD Set 1.2: A 10 HIS : no HD1:sc= -3! C(o=-20!,f=-24!) USER MOD Set 1.3: A 71 ASN : amide:sc= -3.59! C(o=-20!,f=-21!) USER MOD Set 1.4: A 83 CYS SG : rot -157:sc= -2.94 USER MOD Set 1.5: A 86 CYS SG : rot 134:sc= -6.39! USER MOD Set 2.1: A 75 ASN : amide:sc= -2.11! C(o=-7.9!,f=-19!) USER MOD Set 2.2: A 77 THR OG1 : rot 78:sc= -5.79! USER MOD Set 3.1: A 43 CYS SG : rot 142:sc= -1.64! USER MOD Set 3.2: A 45 GLN : amide:sc= -3.13 K(o=-9.3,f=-12!) USER MOD Set 3.3: A 48 CYS SG : rot -149:sc= 0.121 USER MOD Set 3.4: A 64 HIS : no HE2:sc= -2.33 K(o=-9.3,f=-18!) USER MOD Set 3.5: A 68 LYS NZ :NH3+ 171:sc= 0.834 (180deg=-0.38) USER MOD Set 3.6: A 70 HIS : no HE2:sc= -3.17 K(o=-9.3,f=-11) USER MOD Set 4.1: A 30 CYS SG : rot -153:sc= -0.595! USER MOD Set 4.2: A 33 CYS SG : rot -153:sc= 0.123 USER MOD Set 4.3: A 53 CYS SG : rot -114:sc= 1.42 USER MOD Set 4.4: A 60 HIS :FLIP no HD1:sc= -1.79 F(o=-3.1!,f=-0.84) USER MOD Set 5.1: A 31 GLN : amide:sc= -7.67! C(o=-7.7!,f=-7.9!) USER MOD Set 5.2: A 32 SER OG : rot 109:sc= -0.0621 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.472 USER MOD Single : A 19 LYS NZ :NH3+ -168:sc= -1.94! (180deg=-2.01!) USER MOD Single : A 25 LYS NZ :NH3+ -120:sc= 0.703 (180deg=0.68) USER MOD Single : A 26 SER OG : rot -49:sc= -1.03 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0794 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.688! USER MOD Single : A 39 ASN : amide:sc= -0.529 X(o=-0.53,f=-0.081) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -168:sc= -1.63! USER MOD Single : A 61 SER OG : rot 132:sc= -0.5 USER MOD Single : A 62 THR OG1 : rot -65:sc= -0.315! USER MOD Single : A 66 GLN : amide:sc= -0.167 K(o=-0.17,f=-1.2!) USER MOD Single : A 69 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.21) USER MOD Single : A 73 THR OG1 : rot 16:sc= 0.141 USER MOD Single : A 78 THR OG1 : rot -100:sc= 0.157 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -112:sc= -0.177 (180deg=-0.927) USER MOD Single : A 94 GLN :FLIP amide:sc= 0.273 F(o=-3.1!,f=0.27) USER MOD ----------------------------------------------------------------- ATOM 72 N ASP A 6 12.718 6.168 5.304 1.00 0.00 N ATOM 73 CA ASP A 6 11.288 6.037 4.911 1.00 0.00 C ATOM 74 C ASP A 6 11.149 4.911 3.882 1.00 0.00 C ATOM 75 O ASP A 6 10.112 4.289 3.762 1.00 0.00 O ATOM 76 CB ASP A 6 10.818 7.361 4.293 1.00 0.00 C ATOM 77 CG ASP A 6 9.392 7.676 4.753 1.00 0.00 C ATOM 78 OD1 ASP A 6 9.046 8.845 4.784 1.00 0.00 O ATOM 79 OD2 ASP A 6 8.672 6.743 5.068 1.00 0.00 O ATOM 0 HA ASP A 6 10.680 5.805 5.785 1.00 0.00 H new ATOM 0 HB2 ASP A 6 11.490 8.168 4.586 1.00 0.00 H new ATOM 0 HB3 ASP A 6 10.852 7.297 3.205 1.00 0.00 H new ATOM 84 N LEU A 7 12.185 4.652 3.134 1.00 0.00 N ATOM 85 CA LEU A 7 12.114 3.573 2.109 1.00 0.00 C ATOM 86 C LEU A 7 12.171 2.203 2.797 1.00 0.00 C ATOM 87 O LEU A 7 12.673 2.069 3.896 1.00 0.00 O ATOM 88 CB LEU A 7 13.269 3.763 1.094 1.00 0.00 C ATOM 89 CG LEU A 7 14.471 2.829 1.367 1.00 0.00 C ATOM 90 CD1 LEU A 7 14.912 2.911 2.837 1.00 0.00 C ATOM 91 CD2 LEU A 7 14.120 1.376 0.993 1.00 0.00 C ATOM 0 H LEU A 7 13.078 5.141 3.188 1.00 0.00 H new ATOM 0 HA LEU A 7 11.172 3.625 1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 7 12.895 3.580 0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 7 13.606 4.799 1.125 1.00 0.00 H new ATOM 0 HG LEU A 7 15.303 3.160 0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.759 2.244 3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.205 3.934 3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 7 14.085 2.613 3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.977 0.732 1.191 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.270 1.042 1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.865 1.324 -0.065 1.00 0.00 H new ATOM 103 N CYS A 8 11.648 1.185 2.160 1.00 0.00 N ATOM 104 CA CYS A 8 11.659 -0.185 2.762 1.00 0.00 C ATOM 105 C CYS A 8 12.337 -1.150 1.780 1.00 0.00 C ATOM 106 O CYS A 8 12.433 -0.879 0.602 1.00 0.00 O ATOM 107 CB CYS A 8 10.214 -0.646 3.057 1.00 0.00 C ATOM 108 SG CYS A 8 9.858 -2.207 2.189 1.00 0.00 S ATOM 0 H CYS A 8 11.210 1.245 1.241 1.00 0.00 H new ATOM 0 HA CYS A 8 12.212 -0.172 3.701 1.00 0.00 H new ATOM 0 HB2 CYS A 8 10.080 -0.780 4.130 1.00 0.00 H new ATOM 0 HB3 CYS A 8 9.508 0.122 2.741 1.00 0.00 H new ATOM 0 HG CYS A 8 8.961 -2.876 2.850 1.00 0.00 H new ATOM 113 N PRO A 9 12.811 -2.264 2.264 1.00 0.00 N ATOM 114 CA PRO A 9 13.499 -3.290 1.420 1.00 0.00 C ATOM 115 C PRO A 9 12.623 -3.729 0.247 1.00 0.00 C ATOM 116 O PRO A 9 13.001 -3.638 -0.904 1.00 0.00 O ATOM 117 CB PRO A 9 13.717 -4.465 2.391 1.00 0.00 C ATOM 118 CG PRO A 9 12.774 -4.206 3.515 1.00 0.00 C ATOM 119 CD PRO A 9 12.737 -2.693 3.661 1.00 0.00 C ATOM 0 HA PRO A 9 14.421 -2.913 0.978 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.507 -5.420 1.910 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.749 -4.504 2.740 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.783 -4.605 3.298 1.00 0.00 H new ATOM 0 HG3 PRO A 9 13.116 -4.682 4.434 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.824 -2.350 4.148 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.573 -2.317 4.251 1.00 0.00 H new ATOM 127 N HIS A 10 11.447 -4.201 0.545 1.00 0.00 N ATOM 128 CA HIS A 10 10.515 -4.652 -0.530 1.00 0.00 C ATOM 129 C HIS A 10 9.901 -3.427 -1.206 1.00 0.00 C ATOM 130 O HIS A 10 9.095 -3.538 -2.108 1.00 0.00 O ATOM 131 CB HIS A 10 9.407 -5.526 0.080 1.00 0.00 C ATOM 132 CG HIS A 10 9.966 -6.302 1.239 1.00 0.00 C ATOM 133 ND1 HIS A 10 10.002 -5.794 2.537 1.00 0.00 N ATOM 134 CD2 HIS A 10 10.522 -7.556 1.307 1.00 0.00 C ATOM 135 CE1 HIS A 10 10.564 -6.742 3.315 1.00 0.00 C ATOM 136 NE2 HIS A 10 10.896 -7.827 2.614 1.00 0.00 N ATOM 0 H HIS A 10 11.086 -4.296 1.494 1.00 0.00 H new ATOM 0 HA HIS A 10 11.061 -5.239 -1.269 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.577 -4.902 0.412 1.00 0.00 H new ATOM 0 HB3 HIS A 10 9.011 -6.209 -0.672 1.00 0.00 H new ATOM 0 HD2 HIS A 10 10.648 -8.228 0.471 1.00 0.00 H new ATOM 0 HE1 HIS A 10 10.726 -6.635 4.377 1.00 0.00 H new ATOM 0 HE2 HIS A 10 11.334 -8.678 2.966 1.00 0.00 H new ATOM 144 N LEU A 11 10.276 -2.259 -0.770 1.00 0.00 N ATOM 145 CA LEU A 11 9.721 -1.015 -1.372 1.00 0.00 C ATOM 146 C LEU A 11 10.299 -0.822 -2.775 1.00 0.00 C ATOM 147 O LEU A 11 9.692 -0.207 -3.630 1.00 0.00 O ATOM 148 CB LEU A 11 10.096 0.173 -0.482 1.00 0.00 C ATOM 149 CG LEU A 11 9.266 1.413 -0.856 1.00 0.00 C ATOM 150 CD1 LEU A 11 8.854 2.172 0.413 1.00 0.00 C ATOM 151 CD2 LEU A 11 10.095 2.336 -1.759 1.00 0.00 C ATOM 0 H LEU A 11 10.948 -2.111 -0.017 1.00 0.00 H new ATOM 0 HA LEU A 11 8.636 -1.088 -1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.927 -0.082 0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 11 11.158 0.394 -0.589 1.00 0.00 H new ATOM 0 HG LEU A 11 8.370 1.093 -1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.267 3.048 0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.256 1.519 1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.746 2.488 0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.505 3.214 -2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 11 10.995 2.650 -1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.375 1.801 -2.667 1.00 0.00 H new ATOM 163 N ASP A 12 11.465 -1.348 -3.020 1.00 0.00 N ATOM 164 CA ASP A 12 12.083 -1.205 -4.369 1.00 0.00 C ATOM 165 C ASP A 12 11.588 -2.335 -5.274 1.00 0.00 C ATOM 166 O ASP A 12 11.661 -2.251 -6.484 1.00 0.00 O ATOM 167 CB ASP A 12 13.603 -1.297 -4.240 1.00 0.00 C ATOM 168 CG ASP A 12 14.247 -1.038 -5.603 1.00 0.00 C ATOM 169 OD1 ASP A 12 14.714 -1.990 -6.206 1.00 0.00 O ATOM 170 OD2 ASP A 12 14.262 0.108 -6.021 1.00 0.00 O ATOM 0 H ASP A 12 12.019 -1.873 -2.343 1.00 0.00 H new ATOM 0 HA ASP A 12 11.807 -0.242 -4.797 1.00 0.00 H new ATOM 0 HB2 ASP A 12 13.962 -0.569 -3.512 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.888 -2.283 -3.872 1.00 0.00 H new ATOM 175 N SER A 13 11.097 -3.395 -4.694 1.00 0.00 N ATOM 176 CA SER A 13 10.608 -4.538 -5.517 1.00 0.00 C ATOM 177 C SER A 13 9.197 -4.245 -6.037 1.00 0.00 C ATOM 178 O SER A 13 8.783 -4.765 -7.053 1.00 0.00 O ATOM 179 CB SER A 13 10.579 -5.804 -4.659 1.00 0.00 C ATOM 180 OG SER A 13 10.373 -6.934 -5.497 1.00 0.00 O ATOM 0 H SER A 13 11.013 -3.520 -3.685 1.00 0.00 H new ATOM 0 HA SER A 13 11.278 -4.681 -6.364 1.00 0.00 H new ATOM 0 HB2 SER A 13 11.516 -5.908 -4.112 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.783 -5.737 -3.917 1.00 0.00 H new ATOM 0 HG SER A 13 10.355 -7.747 -4.951 1.00 0.00 H new ATOM 186 N ILE A 14 8.452 -3.425 -5.347 1.00 0.00 N ATOM 187 CA ILE A 14 7.069 -3.114 -5.809 1.00 0.00 C ATOM 188 C ILE A 14 7.115 -2.110 -6.963 1.00 0.00 C ATOM 189 O ILE A 14 6.112 -1.531 -7.328 1.00 0.00 O ATOM 190 CB ILE A 14 6.271 -2.516 -4.657 1.00 0.00 C ATOM 191 CG1 ILE A 14 7.043 -1.338 -4.063 1.00 0.00 C ATOM 192 CG2 ILE A 14 6.061 -3.579 -3.576 1.00 0.00 C ATOM 193 CD1 ILE A 14 6.134 -0.556 -3.110 1.00 0.00 C ATOM 0 H ILE A 14 8.739 -2.959 -4.487 1.00 0.00 H new ATOM 0 HA ILE A 14 6.594 -4.034 -6.150 1.00 0.00 H new ATOM 0 HB ILE A 14 5.304 -2.173 -5.024 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.922 -1.699 -3.529 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.399 -0.685 -4.860 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.490 -3.152 -2.752 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.514 -4.423 -3.997 1.00 0.00 H new ATOM 0 HG23 ILE A 14 7.029 -3.920 -3.209 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.686 0.283 -2.687 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.269 -0.182 -3.657 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.800 -1.212 -2.306 1.00 0.00 H new ATOM 205 N GLY A 15 8.270 -1.903 -7.541 1.00 0.00 N ATOM 206 CA GLY A 15 8.390 -0.939 -8.679 1.00 0.00 C ATOM 207 C GLY A 15 7.452 0.255 -8.466 1.00 0.00 C ATOM 208 O GLY A 15 7.313 0.760 -7.369 1.00 0.00 O ATOM 0 H GLY A 15 9.141 -2.362 -7.273 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.420 -0.591 -8.763 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.146 -1.440 -9.616 1.00 0.00 H new ATOM 212 N GLU A 16 6.805 0.708 -9.510 1.00 0.00 N ATOM 213 CA GLU A 16 5.873 1.869 -9.375 1.00 0.00 C ATOM 214 C GLU A 16 4.624 1.619 -10.224 1.00 0.00 C ATOM 215 O GLU A 16 4.591 1.922 -11.400 1.00 0.00 O ATOM 216 CB GLU A 16 6.571 3.148 -9.857 1.00 0.00 C ATOM 217 CG GLU A 16 5.570 4.311 -9.923 1.00 0.00 C ATOM 218 CD GLU A 16 4.746 4.362 -8.634 1.00 0.00 C ATOM 219 OE1 GLU A 16 3.784 3.617 -8.540 1.00 0.00 O ATOM 220 OE2 GLU A 16 5.090 5.145 -7.764 1.00 0.00 O ATOM 0 H GLU A 16 6.882 0.323 -10.452 1.00 0.00 H new ATOM 0 HA GLU A 16 5.587 1.985 -8.330 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.388 3.401 -9.181 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.011 2.982 -10.840 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.101 5.252 -10.063 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.911 4.187 -10.782 1.00 0.00 H new ATOM 227 N VAL A 17 3.596 1.071 -9.637 1.00 0.00 N ATOM 228 CA VAL A 17 2.350 0.807 -10.410 1.00 0.00 C ATOM 229 C VAL A 17 1.770 2.145 -10.881 1.00 0.00 C ATOM 230 O VAL A 17 2.366 3.186 -10.687 1.00 0.00 O ATOM 231 CB VAL A 17 1.346 0.073 -9.509 1.00 0.00 C ATOM 232 CG1 VAL A 17 0.753 1.051 -8.493 1.00 0.00 C ATOM 233 CG2 VAL A 17 0.215 -0.538 -10.353 1.00 0.00 C ATOM 0 H VAL A 17 3.565 0.795 -8.656 1.00 0.00 H new ATOM 0 HA VAL A 17 2.563 0.184 -11.279 1.00 0.00 H new ATOM 0 HB VAL A 17 1.868 -0.728 -8.985 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.041 0.526 -7.856 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.552 1.467 -7.879 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.243 1.858 -9.019 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.488 -1.055 -9.700 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.305 0.254 -10.892 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.636 -1.247 -11.066 1.00 0.00 H new ATOM 243 N THR A 18 0.623 2.136 -11.503 1.00 0.00 N ATOM 244 CA THR A 18 0.035 3.418 -11.979 1.00 0.00 C ATOM 245 C THR A 18 -0.332 4.286 -10.777 1.00 0.00 C ATOM 246 O THR A 18 -0.993 3.850 -9.858 1.00 0.00 O ATOM 247 CB THR A 18 -1.221 3.120 -12.814 1.00 0.00 C ATOM 248 OG1 THR A 18 -1.531 1.737 -12.719 1.00 0.00 O ATOM 249 CG2 THR A 18 -0.970 3.483 -14.281 1.00 0.00 C ATOM 0 H THR A 18 0.071 1.301 -11.701 1.00 0.00 H new ATOM 0 HA THR A 18 0.759 3.950 -12.595 1.00 0.00 H new ATOM 0 HB THR A 18 -2.053 3.713 -12.435 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.332 1.544 -13.249 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.864 3.269 -14.867 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.731 4.544 -14.358 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.136 2.895 -14.664 1.00 0.00 H new ATOM 257 N LYS A 19 0.070 5.523 -10.793 1.00 0.00 N ATOM 258 CA LYS A 19 -0.279 6.435 -9.671 1.00 0.00 C ATOM 259 C LYS A 19 -1.795 6.435 -9.537 1.00 0.00 C ATOM 260 O LYS A 19 -2.343 6.056 -8.523 1.00 0.00 O ATOM 261 CB LYS A 19 0.208 7.849 -9.999 1.00 0.00 C ATOM 262 CG LYS A 19 0.135 8.079 -11.520 1.00 0.00 C ATOM 263 CD LYS A 19 1.543 8.312 -12.086 1.00 0.00 C ATOM 264 CE LYS A 19 2.339 7.001 -12.047 1.00 0.00 C ATOM 265 NZ LYS A 19 1.885 6.111 -13.153 1.00 0.00 N ATOM 0 H LYS A 19 0.627 5.944 -11.537 1.00 0.00 H new ATOM 0 HA LYS A 19 0.189 6.108 -8.742 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.405 8.586 -9.480 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.232 7.983 -9.649 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.322 7.216 -12.005 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.499 8.939 -11.736 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.478 8.679 -13.110 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.057 9.078 -11.505 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.405 7.207 -12.146 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.198 6.506 -11.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.270 5.155 -13.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.846 6.068 -13.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.222 6.487 -14.062 1.00 0.00 H new ATOM 279 N GLU A 20 -2.472 6.836 -10.579 1.00 0.00 N ATOM 280 CA GLU A 20 -3.953 6.838 -10.561 1.00 0.00 C ATOM 281 C GLU A 20 -4.419 5.552 -9.889 1.00 0.00 C ATOM 282 O GLU A 20 -5.342 5.543 -9.106 1.00 0.00 O ATOM 283 CB GLU A 20 -4.463 6.907 -12.000 1.00 0.00 C ATOM 284 CG GLU A 20 -5.932 6.447 -12.091 1.00 0.00 C ATOM 285 CD GLU A 20 -6.040 5.243 -13.033 1.00 0.00 C ATOM 286 OE1 GLU A 20 -5.309 4.288 -12.827 1.00 0.00 O ATOM 287 OE2 GLU A 20 -6.849 5.300 -13.944 1.00 0.00 O ATOM 0 H GLU A 20 -2.053 7.165 -11.449 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.340 7.696 -10.011 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.375 7.928 -12.372 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.842 6.280 -12.640 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.301 6.180 -11.101 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.557 7.263 -12.455 1.00 0.00 H new ATOM 294 N ASP A 21 -3.761 4.467 -10.172 1.00 0.00 N ATOM 295 CA ASP A 21 -4.153 3.185 -9.524 1.00 0.00 C ATOM 296 C ASP A 21 -4.287 3.437 -8.025 1.00 0.00 C ATOM 297 O ASP A 21 -5.223 3.000 -7.391 1.00 0.00 O ATOM 298 CB ASP A 21 -3.084 2.115 -9.784 1.00 0.00 C ATOM 299 CG ASP A 21 -3.706 0.724 -9.634 1.00 0.00 C ATOM 300 OD1 ASP A 21 -3.128 -0.089 -8.932 1.00 0.00 O ATOM 301 OD2 ASP A 21 -4.749 0.497 -10.225 1.00 0.00 O ATOM 0 H ASP A 21 -2.974 4.410 -10.819 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.098 2.828 -9.933 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.671 2.234 -10.786 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.258 2.233 -9.083 1.00 0.00 H new ATOM 306 N LEU A 22 -3.370 4.174 -7.464 1.00 0.00 N ATOM 307 CA LEU A 22 -3.453 4.487 -6.013 1.00 0.00 C ATOM 308 C LEU A 22 -4.559 5.512 -5.804 1.00 0.00 C ATOM 309 O LEU A 22 -5.109 5.650 -4.730 1.00 0.00 O ATOM 310 CB LEU A 22 -2.121 5.064 -5.525 1.00 0.00 C ATOM 311 CG LEU A 22 -1.114 3.931 -5.322 1.00 0.00 C ATOM 312 CD1 LEU A 22 -0.920 3.177 -6.638 1.00 0.00 C ATOM 313 CD2 LEU A 22 0.224 4.519 -4.868 1.00 0.00 C ATOM 0 H LEU A 22 -2.566 4.573 -7.949 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.668 3.579 -5.450 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.736 5.780 -6.251 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.268 5.605 -4.590 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.487 3.243 -4.563 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.202 2.370 -6.492 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.874 2.761 -6.963 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.546 3.863 -7.398 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.944 3.714 -4.722 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.596 5.206 -5.628 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.086 5.056 -3.930 1.00 0.00 H new ATOM 325 N LEU A 23 -4.885 6.228 -6.836 1.00 0.00 N ATOM 326 CA LEU A 23 -5.957 7.247 -6.735 1.00 0.00 C ATOM 327 C LEU A 23 -7.311 6.540 -6.794 1.00 0.00 C ATOM 328 O LEU A 23 -8.084 6.608 -5.860 1.00 0.00 O ATOM 329 CB LEU A 23 -5.790 8.232 -7.896 1.00 0.00 C ATOM 330 CG LEU A 23 -4.356 8.794 -7.876 1.00 0.00 C ATOM 331 CD1 LEU A 23 -4.229 9.929 -8.907 1.00 0.00 C ATOM 332 CD2 LEU A 23 -4.028 9.343 -6.479 1.00 0.00 C ATOM 0 H LEU A 23 -4.450 6.150 -7.755 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.899 7.797 -5.796 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.985 7.732 -8.845 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.513 9.043 -7.809 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.660 7.993 -8.124 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.213 10.324 -8.890 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.452 9.543 -9.902 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.932 10.725 -8.661 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.012 9.739 -6.473 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.729 10.139 -6.227 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.110 8.542 -5.745 1.00 0.00 H new ATOM 344 N LEU A 24 -7.607 5.833 -7.855 1.00 0.00 N ATOM 345 CA LEU A 24 -8.908 5.119 -7.888 1.00 0.00 C ATOM 346 C LEU A 24 -8.973 4.226 -6.663 1.00 0.00 C ATOM 347 O LEU A 24 -9.973 4.175 -5.994 1.00 0.00 O ATOM 348 CB LEU A 24 -9.057 4.271 -9.156 1.00 0.00 C ATOM 349 CG LEU A 24 -7.927 3.235 -9.269 1.00 0.00 C ATOM 350 CD1 LEU A 24 -8.419 1.869 -8.772 1.00 0.00 C ATOM 351 CD2 LEU A 24 -7.509 3.103 -10.739 1.00 0.00 C ATOM 0 H LEU A 24 -7.017 5.723 -8.679 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.719 5.847 -7.890 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.021 3.762 -9.145 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.049 4.919 -10.033 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.081 3.561 -8.663 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.613 1.140 -8.855 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.728 1.951 -7.730 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.265 1.545 -9.377 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.708 2.369 -10.825 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.364 2.778 -11.333 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.158 4.068 -11.106 1.00 0.00 H new ATOM 363 N LYS A 25 -7.904 3.542 -6.340 1.00 0.00 N ATOM 364 CA LYS A 25 -7.930 2.684 -5.125 1.00 0.00 C ATOM 365 C LYS A 25 -8.499 3.530 -3.984 1.00 0.00 C ATOM 366 O LYS A 25 -9.334 3.091 -3.218 1.00 0.00 O ATOM 367 CB LYS A 25 -6.504 2.230 -4.792 1.00 0.00 C ATOM 368 CG LYS A 25 -6.130 1.027 -5.668 1.00 0.00 C ATOM 369 CD LYS A 25 -4.619 0.780 -5.590 1.00 0.00 C ATOM 370 CE LYS A 25 -4.316 -0.672 -5.969 1.00 0.00 C ATOM 371 NZ LYS A 25 -2.840 -0.877 -6.000 1.00 0.00 N ATOM 0 H LYS A 25 -7.027 3.542 -6.860 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.543 1.796 -5.281 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.803 3.047 -4.960 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.434 1.961 -3.738 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.671 0.141 -5.335 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.425 1.211 -6.701 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.094 1.459 -6.262 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.258 0.986 -4.582 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.774 -1.351 -5.249 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.747 -0.903 -6.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.551 -1.177 -6.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.361 0.013 -5.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.577 -1.611 -5.312 1.00 0.00 H new ATOM 385 N SER A 26 -8.066 4.758 -3.901 1.00 0.00 N ATOM 386 CA SER A 26 -8.578 5.682 -2.855 1.00 0.00 C ATOM 387 C SER A 26 -10.028 6.047 -3.192 1.00 0.00 C ATOM 388 O SER A 26 -10.592 6.965 -2.634 1.00 0.00 O ATOM 389 CB SER A 26 -7.728 6.957 -2.855 1.00 0.00 C ATOM 390 OG SER A 26 -7.914 7.652 -1.629 1.00 0.00 O ATOM 0 H SER A 26 -7.368 5.164 -4.524 1.00 0.00 H new ATOM 0 HA SER A 26 -8.528 5.206 -1.876 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.676 6.705 -2.986 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.010 7.595 -3.693 1.00 0.00 H new ATOM 0 HG SER A 26 -8.873 7.739 -1.444 1.00 0.00 H new ATOM 396 N LYS A 27 -10.620 5.357 -4.134 1.00 0.00 N ATOM 397 CA LYS A 27 -12.015 5.696 -4.537 1.00 0.00 C ATOM 398 C LYS A 27 -12.906 5.855 -3.303 1.00 0.00 C ATOM 399 O LYS A 27 -13.603 6.842 -3.174 1.00 0.00 O ATOM 400 CB LYS A 27 -12.587 4.617 -5.473 1.00 0.00 C ATOM 401 CG LYS A 27 -12.122 3.213 -5.050 1.00 0.00 C ATOM 402 CD LYS A 27 -13.255 2.209 -5.269 1.00 0.00 C ATOM 403 CE LYS A 27 -13.558 2.114 -6.765 1.00 0.00 C ATOM 404 NZ LYS A 27 -14.650 1.125 -6.991 1.00 0.00 N ATOM 0 H LYS A 27 -10.198 4.577 -4.638 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.994 6.644 -5.075 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -13.676 4.661 -5.461 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.271 4.815 -6.497 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.246 2.920 -5.628 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.825 3.218 -4.001 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.971 1.231 -4.880 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.146 2.522 -4.724 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.852 3.090 -7.150 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.663 1.814 -7.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.855 1.061 -8.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.353 0.193 -6.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.505 1.430 -6.484 1.00 0.00 H new ATOM 418 N GLY A 28 -12.894 4.925 -2.380 1.00 0.00 N ATOM 419 CA GLY A 28 -13.747 5.097 -1.175 1.00 0.00 C ATOM 420 C GLY A 28 -14.317 3.763 -0.718 1.00 0.00 C ATOM 421 O GLY A 28 -15.172 3.720 0.138 1.00 0.00 O ATOM 0 H GLY A 28 -12.339 4.070 -2.411 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -13.161 5.541 -0.370 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -14.561 5.788 -1.396 1.00 0.00 H new ATOM 425 N THR A 29 -13.877 2.671 -1.274 1.00 0.00 N ATOM 426 CA THR A 29 -14.439 1.371 -0.827 1.00 0.00 C ATOM 427 C THR A 29 -13.502 0.208 -1.189 1.00 0.00 C ATOM 428 O THR A 29 -12.826 0.227 -2.198 1.00 0.00 O ATOM 429 CB THR A 29 -15.793 1.172 -1.508 1.00 0.00 C ATOM 430 OG1 THR A 29 -15.968 2.166 -2.506 1.00 0.00 O ATOM 431 CG2 THR A 29 -16.927 1.275 -0.481 1.00 0.00 C ATOM 0 H THR A 29 -13.167 2.622 -2.004 1.00 0.00 H new ATOM 0 HA THR A 29 -14.552 1.384 0.257 1.00 0.00 H new ATOM 0 HB THR A 29 -15.818 0.182 -1.963 1.00 0.00 H new ATOM 0 HG1 THR A 29 -16.835 2.040 -2.945 1.00 0.00 H new ATOM 0 HG21 THR A 29 -17.885 1.131 -0.981 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.797 0.508 0.282 1.00 0.00 H new ATOM 0 HG23 THR A 29 -16.906 2.259 -0.013 1.00 0.00 H new ATOM 439 N CYS A 30 -13.498 -0.821 -0.381 1.00 0.00 N ATOM 440 CA CYS A 30 -12.653 -2.019 -0.675 1.00 0.00 C ATOM 441 C CYS A 30 -13.158 -2.635 -1.981 1.00 0.00 C ATOM 442 O CYS A 30 -14.347 -2.666 -2.233 1.00 0.00 O ATOM 443 CB CYS A 30 -12.793 -3.046 0.462 1.00 0.00 C ATOM 444 SG CYS A 30 -11.816 -4.528 0.076 1.00 0.00 S ATOM 0 H CYS A 30 -14.048 -0.884 0.476 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.605 -1.733 -0.762 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.454 -2.610 1.402 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -13.841 -3.315 0.595 1.00 0.00 H new ATOM 0 HG CYS A 30 -12.343 -5.560 0.665 1.00 0.00 H new ATOM 449 N GLN A 31 -12.286 -3.112 -2.824 1.00 0.00 N ATOM 450 CA GLN A 31 -12.769 -3.698 -4.107 1.00 0.00 C ATOM 451 C GLN A 31 -13.297 -5.114 -3.875 1.00 0.00 C ATOM 452 O GLN A 31 -13.948 -5.684 -4.728 1.00 0.00 O ATOM 453 CB GLN A 31 -11.637 -3.731 -5.138 1.00 0.00 C ATOM 454 CG GLN A 31 -10.395 -4.422 -4.562 1.00 0.00 C ATOM 455 CD GLN A 31 -10.616 -5.937 -4.497 1.00 0.00 C ATOM 456 OE1 GLN A 31 -9.937 -6.626 -3.762 1.00 0.00 O ATOM 457 NE2 GLN A 31 -11.536 -6.490 -5.241 1.00 0.00 N ATOM 0 H GLN A 31 -11.276 -3.123 -2.685 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.577 -3.074 -4.489 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.969 -4.257 -6.033 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.385 -2.715 -5.441 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.526 -4.200 -5.181 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.183 -4.035 -3.565 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.107 -5.913 -5.859 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.683 -7.499 -5.204 1.00 0.00 H new ATOM 466 N SER A 32 -13.031 -5.688 -2.732 1.00 0.00 N ATOM 467 CA SER A 32 -13.528 -7.068 -2.454 1.00 0.00 C ATOM 468 C SER A 32 -14.566 -7.023 -1.331 1.00 0.00 C ATOM 469 O SER A 32 -15.284 -7.977 -1.103 1.00 0.00 O ATOM 470 CB SER A 32 -12.359 -7.958 -2.032 1.00 0.00 C ATOM 471 OG SER A 32 -11.535 -8.218 -3.161 1.00 0.00 O ATOM 0 H SER A 32 -12.491 -5.262 -1.979 1.00 0.00 H new ATOM 0 HA SER A 32 -13.987 -7.475 -3.355 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.779 -7.469 -1.249 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.731 -8.894 -1.616 1.00 0.00 H new ATOM 0 HG SER A 32 -10.689 -7.732 -3.068 1.00 0.00 H new ATOM 477 N CYS A 33 -14.653 -5.924 -0.625 1.00 0.00 N ATOM 478 CA CYS A 33 -15.648 -5.821 0.485 1.00 0.00 C ATOM 479 C CYS A 33 -16.510 -4.573 0.296 1.00 0.00 C ATOM 480 O CYS A 33 -17.611 -4.493 0.805 1.00 0.00 O ATOM 481 CB CYS A 33 -14.917 -5.731 1.828 1.00 0.00 C ATOM 482 SG CYS A 33 -13.736 -7.088 1.964 1.00 0.00 S ATOM 0 H CYS A 33 -14.078 -5.094 -0.769 1.00 0.00 H new ATOM 0 HA CYS A 33 -16.284 -6.706 0.474 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -14.399 -4.775 1.909 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -15.634 -5.776 2.648 1.00 0.00 H new ATOM 0 HG CYS A 33 -13.538 -7.367 3.218 1.00 0.00 H new ATOM 487 N GLY A 34 -16.028 -3.590 -0.416 1.00 0.00 N ATOM 488 CA GLY A 34 -16.844 -2.356 -0.600 1.00 0.00 C ATOM 489 C GLY A 34 -17.283 -1.862 0.777 1.00 0.00 C ATOM 490 O GLY A 34 -18.443 -1.927 1.134 1.00 0.00 O ATOM 0 H GLY A 34 -15.116 -3.587 -0.873 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.262 -1.589 -1.111 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.713 -2.565 -1.223 1.00 0.00 H new ATOM 494 N VAL A 35 -16.348 -1.408 1.565 1.00 0.00 N ATOM 495 CA VAL A 35 -16.678 -0.949 2.947 1.00 0.00 C ATOM 496 C VAL A 35 -16.653 0.584 3.062 1.00 0.00 C ATOM 497 O VAL A 35 -17.556 1.166 3.627 1.00 0.00 O ATOM 498 CB VAL A 35 -15.661 -1.566 3.911 1.00 0.00 C ATOM 499 CG1 VAL A 35 -15.760 -3.098 3.828 1.00 0.00 C ATOM 500 CG2 VAL A 35 -14.249 -1.125 3.517 1.00 0.00 C ATOM 0 H VAL A 35 -15.363 -1.334 1.311 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.689 -1.271 3.195 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.870 -1.236 4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -15.039 -3.547 4.511 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -16.766 -3.413 4.104 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.545 -3.422 2.810 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.526 -1.565 4.204 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.034 -1.458 2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.181 -0.038 3.565 1.00 0.00 H new ATOM 510 N THR A 36 -15.645 1.249 2.551 1.00 0.00 N ATOM 511 CA THR A 36 -15.603 2.739 2.668 1.00 0.00 C ATOM 512 C THR A 36 -14.197 3.237 2.336 1.00 0.00 C ATOM 513 O THR A 36 -13.333 2.470 1.967 1.00 0.00 O ATOM 514 CB THR A 36 -15.963 3.182 4.096 1.00 0.00 C ATOM 515 OG1 THR A 36 -15.521 4.517 4.293 1.00 0.00 O ATOM 516 CG2 THR A 36 -15.283 2.269 5.122 1.00 0.00 C ATOM 0 H THR A 36 -14.855 0.828 2.062 1.00 0.00 H new ATOM 0 HA THR A 36 -16.327 3.160 1.971 1.00 0.00 H new ATOM 0 HB THR A 36 -17.043 3.120 4.227 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.749 4.806 5.201 1.00 0.00 H new ATOM 0 HG21 THR A 36 -15.546 2.594 6.129 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.617 1.242 4.973 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.202 2.321 4.995 1.00 0.00 H new ATOM 524 N GLY A 37 -13.971 4.519 2.451 1.00 0.00 N ATOM 525 CA GLY A 37 -12.630 5.087 2.127 1.00 0.00 C ATOM 526 C GLY A 37 -11.759 5.172 3.379 1.00 0.00 C ATOM 527 O GLY A 37 -10.751 4.506 3.488 1.00 0.00 O ATOM 0 H GLY A 37 -14.664 5.202 2.758 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.138 4.466 1.378 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.746 6.079 1.691 1.00 0.00 H new ATOM 531 N PRO A 38 -12.123 6.003 4.312 1.00 0.00 N ATOM 532 CA PRO A 38 -11.339 6.176 5.553 1.00 0.00 C ATOM 533 C PRO A 38 -10.877 4.842 6.136 1.00 0.00 C ATOM 534 O PRO A 38 -11.648 3.920 6.318 1.00 0.00 O ATOM 535 CB PRO A 38 -12.283 6.894 6.523 1.00 0.00 C ATOM 536 CG PRO A 38 -13.569 7.139 5.780 1.00 0.00 C ATOM 537 CD PRO A 38 -13.305 6.867 4.296 1.00 0.00 C ATOM 0 HA PRO A 38 -10.426 6.740 5.364 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.460 6.287 7.411 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.847 7.834 6.861 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.358 6.487 6.154 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.907 8.165 5.927 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -14.154 6.376 3.821 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -13.121 7.789 3.745 1.00 0.00 H new ATOM 545 N ASN A 39 -9.617 4.752 6.427 1.00 0.00 N ATOM 546 CA ASN A 39 -9.046 3.504 7.005 1.00 0.00 C ATOM 547 C ASN A 39 -8.963 2.415 5.933 1.00 0.00 C ATOM 548 O ASN A 39 -8.979 1.239 6.236 1.00 0.00 O ATOM 549 CB ASN A 39 -9.911 3.019 8.180 1.00 0.00 C ATOM 550 CG ASN A 39 -9.034 2.814 9.420 1.00 0.00 C ATOM 551 OD1 ASN A 39 -8.725 3.757 10.122 1.00 0.00 O ATOM 552 ND2 ASN A 39 -8.619 1.613 9.720 1.00 0.00 N ATOM 0 H ASN A 39 -8.942 5.503 6.287 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.041 3.717 7.370 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.693 3.748 8.393 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.408 2.085 7.917 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.035 1.466 10.544 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.878 0.822 9.131 1.00 0.00 H new ATOM 559 N LEU A 40 -8.852 2.784 4.686 1.00 0.00 N ATOM 560 CA LEU A 40 -8.744 1.746 3.623 1.00 0.00 C ATOM 561 C LEU A 40 -7.291 1.269 3.559 1.00 0.00 C ATOM 562 O LEU A 40 -6.429 1.778 4.247 1.00 0.00 O ATOM 563 CB LEU A 40 -9.134 2.331 2.253 1.00 0.00 C ATOM 564 CG LEU A 40 -10.625 2.119 1.937 1.00 0.00 C ATOM 565 CD1 LEU A 40 -10.866 2.488 0.470 1.00 0.00 C ATOM 566 CD2 LEU A 40 -11.026 0.649 2.146 1.00 0.00 C ATOM 0 H LEU A 40 -8.832 3.750 4.360 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.416 0.921 3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.908 3.397 2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.529 1.865 1.475 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.221 2.743 2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.919 2.344 0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.596 3.531 0.308 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.255 1.851 -0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.084 0.524 1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.434 0.013 1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.844 0.366 3.183 1.00 0.00 H new ATOM 578 N TRP A 41 -7.013 0.309 2.726 1.00 0.00 N ATOM 579 CA TRP A 41 -5.614 -0.190 2.602 1.00 0.00 C ATOM 580 C TRP A 41 -5.473 -0.959 1.288 1.00 0.00 C ATOM 581 O TRP A 41 -5.812 -2.123 1.195 1.00 0.00 O ATOM 582 CB TRP A 41 -5.277 -1.097 3.797 1.00 0.00 C ATOM 583 CG TRP A 41 -4.084 -0.552 4.521 1.00 0.00 C ATOM 584 CD1 TRP A 41 -2.924 -0.182 3.933 1.00 0.00 C ATOM 585 CD2 TRP A 41 -3.914 -0.306 5.949 1.00 0.00 C ATOM 586 NE1 TRP A 41 -2.052 0.274 4.906 1.00 0.00 N ATOM 587 CE2 TRP A 41 -2.616 0.217 6.165 1.00 0.00 C ATOM 588 CE3 TRP A 41 -4.749 -0.483 7.066 1.00 0.00 C ATOM 589 CZ2 TRP A 41 -2.165 0.551 7.442 1.00 0.00 C ATOM 590 CZ3 TRP A 41 -4.298 -0.148 8.353 1.00 0.00 C ATOM 591 CH2 TRP A 41 -3.009 0.368 8.540 1.00 0.00 C ATOM 0 H TRP A 41 -7.694 -0.154 2.124 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.919 0.650 2.601 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.130 -1.156 4.473 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.073 -2.110 3.451 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -2.712 -0.234 2.875 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.108 0.611 4.716 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.745 -0.880 6.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.170 0.948 7.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -4.949 -0.289 9.203 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -2.668 0.624 9.532 1.00 0.00 H new ATOM 602 N ALA A 42 -4.996 -0.308 0.263 1.00 0.00 N ATOM 603 CA ALA A 42 -4.855 -0.982 -1.055 1.00 0.00 C ATOM 604 C ALA A 42 -3.449 -1.557 -1.229 1.00 0.00 C ATOM 605 O ALA A 42 -2.467 -0.974 -0.822 1.00 0.00 O ATOM 606 CB ALA A 42 -5.114 0.038 -2.162 1.00 0.00 C ATOM 0 H ALA A 42 -4.697 0.667 0.284 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.574 -1.800 -1.107 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.013 -0.446 -3.133 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.123 0.438 -2.059 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.391 0.850 -2.085 1.00 0.00 H new ATOM 612 N CYS A 43 -3.356 -2.696 -1.861 1.00 0.00 N ATOM 613 CA CYS A 43 -2.028 -3.319 -2.104 1.00 0.00 C ATOM 614 C CYS A 43 -1.212 -2.385 -2.997 1.00 0.00 C ATOM 615 O CYS A 43 -1.766 -1.622 -3.763 1.00 0.00 O ATOM 616 CB CYS A 43 -2.229 -4.663 -2.805 1.00 0.00 C ATOM 617 SG CYS A 43 -0.840 -5.758 -2.428 1.00 0.00 S ATOM 0 H CYS A 43 -4.151 -3.224 -2.221 1.00 0.00 H new ATOM 0 HA CYS A 43 -1.503 -3.481 -1.163 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.164 -5.119 -2.478 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.306 -4.515 -3.882 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.274 -6.975 -2.282 1.00 0.00 H new ATOM 622 N LEU A 44 0.092 -2.412 -2.901 1.00 0.00 N ATOM 623 CA LEU A 44 0.908 -1.491 -3.747 1.00 0.00 C ATOM 624 C LEU A 44 2.065 -2.247 -4.418 1.00 0.00 C ATOM 625 O LEU A 44 3.152 -1.730 -4.549 1.00 0.00 O ATOM 626 CB LEU A 44 1.458 -0.364 -2.856 1.00 0.00 C ATOM 627 CG LEU A 44 2.323 0.629 -3.660 1.00 0.00 C ATOM 628 CD1 LEU A 44 1.745 0.857 -5.060 1.00 0.00 C ATOM 629 CD2 LEU A 44 2.360 1.969 -2.920 1.00 0.00 C ATOM 0 H LEU A 44 0.622 -3.024 -2.281 1.00 0.00 H new ATOM 0 HA LEU A 44 0.281 -1.073 -4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.629 0.169 -2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.052 -0.795 -2.050 1.00 0.00 H new ATOM 0 HG LEU A 44 3.325 0.212 -3.759 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.375 1.561 -5.604 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.711 -0.090 -5.598 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.737 1.263 -4.976 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.969 2.678 -3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.347 2.359 -2.823 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.790 1.826 -1.929 1.00 0.00 H new ATOM 641 N GLN A 45 1.849 -3.461 -4.863 1.00 0.00 N ATOM 642 CA GLN A 45 2.962 -4.204 -5.534 1.00 0.00 C ATOM 643 C GLN A 45 2.957 -3.873 -7.032 1.00 0.00 C ATOM 644 O GLN A 45 1.916 -3.748 -7.645 1.00 0.00 O ATOM 645 CB GLN A 45 2.796 -5.718 -5.332 1.00 0.00 C ATOM 646 CG GLN A 45 1.935 -5.991 -4.102 1.00 0.00 C ATOM 647 CD GLN A 45 2.760 -5.749 -2.838 1.00 0.00 C ATOM 648 OE1 GLN A 45 2.668 -4.702 -2.229 1.00 0.00 O ATOM 649 NE2 GLN A 45 3.570 -6.680 -2.413 1.00 0.00 N ATOM 0 H GLN A 45 0.964 -3.964 -4.793 1.00 0.00 H new ATOM 0 HA GLN A 45 3.912 -3.900 -5.093 1.00 0.00 H new ATOM 0 HB2 GLN A 45 2.335 -6.162 -6.214 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.773 -6.186 -5.213 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.059 -5.342 -4.107 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.571 -7.018 -4.120 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.648 -7.560 -2.923 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.125 -6.528 -1.571 1.00 0.00 H new ATOM 658 N VAL A 46 4.115 -3.713 -7.620 1.00 0.00 N ATOM 659 CA VAL A 46 4.181 -3.373 -9.075 1.00 0.00 C ATOM 660 C VAL A 46 3.205 -4.233 -9.885 1.00 0.00 C ATOM 661 O VAL A 46 2.947 -3.954 -11.039 1.00 0.00 O ATOM 662 CB VAL A 46 5.603 -3.610 -9.600 1.00 0.00 C ATOM 663 CG1 VAL A 46 6.069 -5.014 -9.213 1.00 0.00 C ATOM 664 CG2 VAL A 46 5.614 -3.476 -11.126 1.00 0.00 C ATOM 0 H VAL A 46 5.019 -3.803 -7.156 1.00 0.00 H new ATOM 0 HA VAL A 46 3.908 -2.324 -9.189 1.00 0.00 H new ATOM 0 HB VAL A 46 6.275 -2.871 -9.162 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.079 -5.178 -9.588 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.064 -5.113 -8.127 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.396 -5.753 -9.648 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.624 -3.644 -11.499 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.939 -4.213 -11.561 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.286 -2.475 -11.406 1.00 0.00 H new ATOM 674 N ALA A 47 2.672 -5.283 -9.316 1.00 0.00 N ATOM 675 CA ALA A 47 1.734 -6.146 -10.099 1.00 0.00 C ATOM 676 C ALA A 47 0.530 -6.558 -9.249 1.00 0.00 C ATOM 677 O ALA A 47 0.102 -7.694 -9.286 1.00 0.00 O ATOM 678 CB ALA A 47 2.475 -7.402 -10.563 1.00 0.00 C ATOM 0 H ALA A 47 2.842 -5.579 -8.355 1.00 0.00 H new ATOM 0 HA ALA A 47 1.375 -5.578 -10.957 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.796 -8.035 -11.134 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.319 -7.116 -11.191 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.839 -7.951 -9.695 1.00 0.00 H new ATOM 684 N CYS A 48 -0.033 -5.652 -8.494 1.00 0.00 N ATOM 685 CA CYS A 48 -1.218 -6.022 -7.665 1.00 0.00 C ATOM 686 C CYS A 48 -2.159 -4.825 -7.517 1.00 0.00 C ATOM 687 O CYS A 48 -2.144 -4.137 -6.515 1.00 0.00 O ATOM 688 CB CYS A 48 -0.756 -6.463 -6.279 1.00 0.00 C ATOM 689 SG CYS A 48 -2.065 -7.446 -5.512 1.00 0.00 S ATOM 0 H CYS A 48 0.272 -4.682 -8.415 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.747 -6.837 -8.159 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.160 -7.049 -6.356 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.528 -5.593 -5.663 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.036 -7.277 -4.223 1.00 0.00 H new ATOM 694 N PRO A 49 -2.988 -4.585 -8.497 1.00 0.00 N ATOM 695 CA PRO A 49 -3.962 -3.467 -8.461 1.00 0.00 C ATOM 696 C PRO A 49 -5.283 -3.879 -7.797 1.00 0.00 C ATOM 697 O PRO A 49 -6.122 -4.508 -8.410 1.00 0.00 O ATOM 698 CB PRO A 49 -4.179 -3.169 -9.942 1.00 0.00 C ATOM 699 CG PRO A 49 -4.024 -4.495 -10.627 1.00 0.00 C ATOM 700 CD PRO A 49 -3.087 -5.344 -9.752 1.00 0.00 C ATOM 0 HA PRO A 49 -3.605 -2.615 -7.882 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.167 -2.745 -10.119 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.451 -2.446 -10.311 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.991 -4.984 -10.744 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.608 -4.367 -11.626 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.493 -6.342 -9.584 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.111 -5.471 -10.220 1.00 0.00 H new ATOM 708 N TYR A 50 -5.470 -3.520 -6.555 1.00 0.00 N ATOM 709 CA TYR A 50 -6.729 -3.880 -5.839 1.00 0.00 C ATOM 710 C TYR A 50 -6.767 -3.111 -4.518 1.00 0.00 C ATOM 711 O TYR A 50 -5.782 -3.048 -3.809 1.00 0.00 O ATOM 712 CB TYR A 50 -6.749 -5.384 -5.542 1.00 0.00 C ATOM 713 CG TYR A 50 -6.987 -6.161 -6.816 1.00 0.00 C ATOM 714 CD1 TYR A 50 -8.230 -6.092 -7.457 1.00 0.00 C ATOM 715 CD2 TYR A 50 -5.965 -6.951 -7.356 1.00 0.00 C ATOM 716 CE1 TYR A 50 -8.450 -6.811 -8.638 1.00 0.00 C ATOM 717 CE2 TYR A 50 -6.186 -7.671 -8.538 1.00 0.00 C ATOM 718 CZ TYR A 50 -7.429 -7.601 -9.178 1.00 0.00 C ATOM 719 OH TYR A 50 -7.646 -8.310 -10.342 1.00 0.00 O ATOM 0 H TYR A 50 -4.799 -2.988 -6.001 1.00 0.00 H new ATOM 0 HA TYR A 50 -7.590 -3.627 -6.457 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.803 -5.687 -5.093 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -7.532 -5.609 -4.818 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -9.019 -5.484 -7.040 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.006 -7.006 -6.862 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -9.408 -6.756 -9.133 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.397 -8.280 -8.955 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.834 -8.805 -10.580 1.00 0.00 H new ATOM 729 N VAL A 51 -7.884 -2.524 -4.172 1.00 0.00 N ATOM 730 CA VAL A 51 -7.946 -1.764 -2.890 1.00 0.00 C ATOM 731 C VAL A 51 -8.660 -2.599 -1.826 1.00 0.00 C ATOM 732 O VAL A 51 -9.859 -2.777 -1.849 1.00 0.00 O ATOM 733 CB VAL A 51 -8.665 -0.430 -3.104 1.00 0.00 C ATOM 734 CG1 VAL A 51 -9.871 -0.631 -4.021 1.00 0.00 C ATOM 735 CG2 VAL A 51 -9.119 0.145 -1.757 1.00 0.00 C ATOM 0 H VAL A 51 -8.747 -2.538 -4.716 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.933 -1.556 -2.546 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.976 0.273 -3.572 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.378 0.322 -4.169 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.536 -1.017 -4.984 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.560 -1.342 -3.565 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.629 1.094 -1.920 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.800 -0.555 -1.274 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.250 0.305 -1.118 1.00 0.00 H new ATOM 745 N GLY A 52 -7.911 -3.114 -0.892 1.00 0.00 N ATOM 746 CA GLY A 52 -8.507 -3.951 0.184 1.00 0.00 C ATOM 747 C GLY A 52 -9.010 -3.066 1.324 1.00 0.00 C ATOM 748 O GLY A 52 -9.012 -1.855 1.232 1.00 0.00 O ATOM 0 H GLY A 52 -6.901 -2.989 -0.828 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.330 -4.541 -0.218 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.765 -4.655 0.561 1.00 0.00 H new ATOM 752 N CYS A 53 -9.441 -3.670 2.399 1.00 0.00 N ATOM 753 CA CYS A 53 -9.952 -2.884 3.556 1.00 0.00 C ATOM 754 C CYS A 53 -8.874 -2.748 4.605 1.00 0.00 C ATOM 755 O CYS A 53 -7.844 -3.390 4.574 1.00 0.00 O ATOM 756 CB CYS A 53 -11.098 -3.631 4.261 1.00 0.00 C ATOM 757 SG CYS A 53 -11.052 -5.386 3.825 1.00 0.00 S ATOM 0 H CYS A 53 -9.460 -4.682 2.525 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.278 -1.921 3.164 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -11.010 -3.514 5.341 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -12.057 -3.201 3.971 1.00 0.00 H new ATOM 0 HG CYS A 53 -12.113 -5.690 3.138 1.00 0.00 H new ATOM 762 N GLY A 54 -9.183 -1.967 5.582 1.00 0.00 N ATOM 763 CA GLY A 54 -8.298 -1.801 6.749 1.00 0.00 C ATOM 764 C GLY A 54 -9.146 -2.285 7.910 1.00 0.00 C ATOM 765 O GLY A 54 -10.349 -2.365 7.776 1.00 0.00 O ATOM 0 H GLY A 54 -10.041 -1.418 5.622 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.385 -2.388 6.647 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -7.996 -0.762 6.879 1.00 0.00 H new ATOM 769 N GLU A 55 -8.575 -2.639 9.019 1.00 0.00 N ATOM 770 CA GLU A 55 -9.420 -3.140 10.152 1.00 0.00 C ATOM 771 C GLU A 55 -10.830 -2.588 10.019 1.00 0.00 C ATOM 772 O GLU A 55 -11.803 -3.264 10.289 1.00 0.00 O ATOM 773 CB GLU A 55 -8.833 -2.677 11.474 1.00 0.00 C ATOM 774 CG GLU A 55 -9.026 -1.165 11.628 1.00 0.00 C ATOM 775 CD GLU A 55 -8.110 -0.643 12.737 1.00 0.00 C ATOM 776 OE1 GLU A 55 -7.434 -1.453 13.350 1.00 0.00 O ATOM 777 OE2 GLU A 55 -8.100 0.557 12.954 1.00 0.00 O ATOM 0 H GLU A 55 -7.572 -2.608 9.199 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.444 -4.229 10.122 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.316 -3.200 12.299 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.772 -2.923 11.517 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.800 -0.661 10.688 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.066 -0.943 11.866 1.00 0.00 H new ATOM 784 N SER A 56 -10.934 -1.369 9.578 1.00 0.00 N ATOM 785 CA SER A 56 -12.269 -0.743 9.375 1.00 0.00 C ATOM 786 C SER A 56 -13.282 -1.841 9.048 1.00 0.00 C ATOM 787 O SER A 56 -14.390 -1.851 9.546 1.00 0.00 O ATOM 788 CB SER A 56 -12.179 0.237 8.204 1.00 0.00 C ATOM 789 OG SER A 56 -12.335 1.562 8.693 1.00 0.00 O ATOM 0 H SER A 56 -10.141 -0.771 9.346 1.00 0.00 H new ATOM 0 HA SER A 56 -12.582 -0.212 10.274 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.218 0.133 7.700 1.00 0.00 H new ATOM 0 HB3 SER A 56 -12.951 0.015 7.468 1.00 0.00 H new ATOM 0 HG SER A 56 -12.468 2.175 7.940 1.00 0.00 H new ATOM 795 N PHE A 57 -12.891 -2.776 8.220 1.00 0.00 N ATOM 796 CA PHE A 57 -13.813 -3.894 7.864 1.00 0.00 C ATOM 797 C PHE A 57 -13.184 -5.220 8.271 1.00 0.00 C ATOM 798 O PHE A 57 -13.319 -5.676 9.389 1.00 0.00 O ATOM 799 CB PHE A 57 -14.055 -3.913 6.359 1.00 0.00 C ATOM 800 CG PHE A 57 -14.935 -5.093 6.011 1.00 0.00 C ATOM 801 CD1 PHE A 57 -14.456 -6.102 5.167 1.00 0.00 C ATOM 802 CD2 PHE A 57 -16.231 -5.180 6.538 1.00 0.00 C ATOM 803 CE1 PHE A 57 -15.271 -7.196 4.850 1.00 0.00 C ATOM 804 CE2 PHE A 57 -17.045 -6.274 6.220 1.00 0.00 C ATOM 805 CZ PHE A 57 -16.565 -7.281 5.376 1.00 0.00 C ATOM 0 H PHE A 57 -11.974 -2.813 7.776 1.00 0.00 H new ATOM 0 HA PHE A 57 -14.759 -3.749 8.386 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.530 -2.984 6.043 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.106 -3.982 5.827 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -13.458 -6.037 4.760 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -16.602 -4.403 7.190 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -14.901 -7.974 4.199 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -18.043 -6.340 6.626 1.00 0.00 H new ATOM 0 HZ PHE A 57 -17.193 -8.124 5.130 1.00 0.00 H new ATOM 815 N ALA A 58 -12.488 -5.829 7.357 1.00 0.00 N ATOM 816 CA ALA A 58 -11.819 -7.131 7.647 1.00 0.00 C ATOM 817 C ALA A 58 -10.320 -6.951 7.441 1.00 0.00 C ATOM 818 O ALA A 58 -9.532 -7.855 7.638 1.00 0.00 O ATOM 819 CB ALA A 58 -12.345 -8.203 6.688 1.00 0.00 C ATOM 0 H ALA A 58 -12.350 -5.479 6.409 1.00 0.00 H new ATOM 0 HA ALA A 58 -12.025 -7.442 8.671 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -11.856 -9.153 6.901 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.422 -8.312 6.819 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.133 -7.908 5.660 1.00 0.00 H new ATOM 825 N ASP A 59 -9.929 -5.774 7.045 1.00 0.00 N ATOM 826 CA ASP A 59 -8.490 -5.490 6.817 1.00 0.00 C ATOM 827 C ASP A 59 -7.896 -6.508 5.846 1.00 0.00 C ATOM 828 O ASP A 59 -7.003 -7.253 6.198 1.00 0.00 O ATOM 829 CB ASP A 59 -7.731 -5.546 8.145 1.00 0.00 C ATOM 830 CG ASP A 59 -6.249 -5.265 7.898 1.00 0.00 C ATOM 831 OD1 ASP A 59 -5.946 -4.187 7.415 1.00 0.00 O ATOM 832 OD2 ASP A 59 -5.443 -6.127 8.200 1.00 0.00 O ATOM 0 H ASP A 59 -10.554 -4.988 6.868 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.396 -4.493 6.387 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.140 -4.813 8.841 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.854 -6.526 8.605 1.00 0.00 H new ATOM 837 N HIS A 60 -8.353 -6.532 4.616 1.00 0.00 N ATOM 838 CA HIS A 60 -7.763 -7.492 3.636 1.00 0.00 C ATOM 839 C HIS A 60 -6.247 -7.383 3.771 1.00 0.00 C ATOM 840 O HIS A 60 -5.506 -8.281 3.447 1.00 0.00 O ATOM 841 CB HIS A 60 -8.172 -7.104 2.204 1.00 0.00 C ATOM 842 CG HIS A 60 -9.181 -8.079 1.655 1.00 0.00 C ATOM 843 ND1 HIS A 60 -9.081 -9.415 1.354 1.00 0.00 N flip ATOM 844 CD2 HIS A 60 -10.489 -7.712 1.334 1.00 0.00 C flip ATOM 845 CE1 HIS A 60 -10.294 -9.872 0.860 1.00 0.00 C flip ATOM 846 NE2 HIS A 60 -11.106 -8.815 0.868 1.00 0.00 N flip ATOM 0 H HIS A 60 -9.098 -5.937 4.254 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.112 -8.506 3.831 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -8.592 -6.098 2.200 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -7.291 -7.084 1.562 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -10.924 -6.729 1.439 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -10.531 -10.875 0.536 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -12.078 -8.839 0.559 1.00 0.00 H new ATOM 854 N SER A 61 -5.800 -6.267 4.264 1.00 0.00 N ATOM 855 CA SER A 61 -4.340 -6.041 4.447 1.00 0.00 C ATOM 856 C SER A 61 -3.677 -7.284 5.045 1.00 0.00 C ATOM 857 O SER A 61 -2.529 -7.572 4.774 1.00 0.00 O ATOM 858 CB SER A 61 -4.149 -4.856 5.396 1.00 0.00 C ATOM 859 OG SER A 61 -2.935 -4.189 5.081 1.00 0.00 O ATOM 0 H SER A 61 -6.392 -5.488 4.553 1.00 0.00 H new ATOM 0 HA SER A 61 -3.880 -5.835 3.481 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.989 -4.167 5.308 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.128 -5.203 6.429 1.00 0.00 H new ATOM 0 HG SER A 61 -3.097 -3.224 5.023 1.00 0.00 H new ATOM 865 N THR A 62 -4.378 -8.015 5.867 1.00 0.00 N ATOM 866 CA THR A 62 -3.763 -9.220 6.482 1.00 0.00 C ATOM 867 C THR A 62 -3.981 -10.442 5.599 1.00 0.00 C ATOM 868 O THR A 62 -3.047 -11.021 5.091 1.00 0.00 O ATOM 869 CB THR A 62 -4.413 -9.497 7.835 1.00 0.00 C ATOM 870 OG1 THR A 62 -5.200 -8.381 8.223 1.00 0.00 O ATOM 871 CG2 THR A 62 -3.338 -9.767 8.892 1.00 0.00 C ATOM 0 H THR A 62 -5.344 -7.830 6.137 1.00 0.00 H new ATOM 0 HA THR A 62 -2.696 -9.032 6.598 1.00 0.00 H new ATOM 0 HB THR A 62 -5.051 -10.377 7.749 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.618 -7.607 8.373 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.814 -9.963 9.853 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.746 -10.633 8.596 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.688 -8.897 8.980 1.00 0.00 H new ATOM 879 N ILE A 63 -5.210 -10.859 5.445 1.00 0.00 N ATOM 880 CA ILE A 63 -5.472 -12.069 4.627 1.00 0.00 C ATOM 881 C ILE A 63 -4.907 -11.864 3.223 1.00 0.00 C ATOM 882 O ILE A 63 -4.418 -12.781 2.595 1.00 0.00 O ATOM 883 CB ILE A 63 -6.967 -12.350 4.544 1.00 0.00 C ATOM 884 CG1 ILE A 63 -7.695 -11.056 4.216 1.00 0.00 C ATOM 885 CG2 ILE A 63 -7.466 -12.899 5.883 1.00 0.00 C ATOM 886 CD1 ILE A 63 -9.095 -11.370 3.687 1.00 0.00 C ATOM 0 H ILE A 63 -6.035 -10.415 5.849 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.987 -12.923 5.099 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.160 -13.088 3.766 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.764 -10.431 5.106 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -7.134 -10.490 3.472 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -8.536 -13.098 5.819 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.938 -13.824 6.117 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.280 -12.167 6.669 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -9.613 -10.440 3.453 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.016 -11.977 2.785 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.656 -11.917 4.445 1.00 0.00 H new ATOM 898 N HIS A 64 -4.968 -10.662 2.733 1.00 0.00 N ATOM 899 CA HIS A 64 -4.431 -10.379 1.373 1.00 0.00 C ATOM 900 C HIS A 64 -2.906 -10.456 1.409 1.00 0.00 C ATOM 901 O HIS A 64 -2.285 -11.041 0.543 1.00 0.00 O ATOM 902 CB HIS A 64 -4.851 -8.984 0.913 1.00 0.00 C ATOM 903 CG HIS A 64 -4.297 -8.748 -0.460 1.00 0.00 C ATOM 904 ND1 HIS A 64 -5.098 -8.719 -1.592 1.00 0.00 N ATOM 905 CD2 HIS A 64 -3.014 -8.559 -0.902 1.00 0.00 C ATOM 906 CE1 HIS A 64 -4.292 -8.523 -2.651 1.00 0.00 C ATOM 907 NE2 HIS A 64 -3.012 -8.421 -2.282 1.00 0.00 N ATOM 0 H HIS A 64 -5.368 -9.858 3.216 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.829 -11.117 0.676 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.938 -8.900 0.902 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.480 -8.229 1.606 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -6.112 -8.827 -1.617 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.138 -8.523 -0.272 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.637 -8.456 -3.672 1.00 0.00 H new ATOM 915 N ALA A 65 -2.292 -9.894 2.417 1.00 0.00 N ATOM 916 CA ALA A 65 -0.806 -9.972 2.505 1.00 0.00 C ATOM 917 C ALA A 65 -0.466 -11.388 2.938 1.00 0.00 C ATOM 918 O ALA A 65 0.631 -11.873 2.781 1.00 0.00 O ATOM 919 CB ALA A 65 -0.292 -8.972 3.545 1.00 0.00 C ATOM 0 H ALA A 65 -2.751 -9.389 3.176 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.343 -9.732 1.548 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.795 -9.035 3.604 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.582 -7.963 3.254 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.722 -9.206 4.519 1.00 0.00 H new ATOM 925 N GLN A 66 -1.436 -12.029 3.502 1.00 0.00 N ATOM 926 CA GLN A 66 -1.293 -13.416 4.002 1.00 0.00 C ATOM 927 C GLN A 66 -1.492 -14.418 2.858 1.00 0.00 C ATOM 928 O GLN A 66 -0.902 -15.479 2.836 1.00 0.00 O ATOM 929 CB GLN A 66 -2.405 -13.587 5.030 1.00 0.00 C ATOM 930 CG GLN A 66 -2.614 -15.049 5.428 1.00 0.00 C ATOM 931 CD GLN A 66 -1.734 -15.391 6.633 1.00 0.00 C ATOM 932 OE1 GLN A 66 -1.595 -14.597 7.543 1.00 0.00 O ATOM 933 NE2 GLN A 66 -1.132 -16.547 6.678 1.00 0.00 N ATOM 0 H GLN A 66 -2.365 -11.632 3.644 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.304 -13.593 4.425 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.167 -13.002 5.919 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.335 -13.187 4.625 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.662 -15.223 5.671 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.369 -15.702 4.590 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.249 -17.213 5.914 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.544 -16.785 7.477 1.00 0.00 H new ATOM 942 N ALA A 67 -2.343 -14.096 1.921 1.00 0.00 N ATOM 943 CA ALA A 67 -2.614 -15.034 0.797 1.00 0.00 C ATOM 944 C ALA A 67 -1.627 -14.784 -0.341 1.00 0.00 C ATOM 945 O ALA A 67 -1.114 -15.702 -0.949 1.00 0.00 O ATOM 946 CB ALA A 67 -4.045 -14.815 0.292 1.00 0.00 C ATOM 0 H ALA A 67 -2.864 -13.220 1.887 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.499 -16.060 1.147 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.249 -15.499 -0.531 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.749 -15.002 1.102 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.155 -13.787 -0.055 1.00 0.00 H new ATOM 952 N LYS A 68 -1.376 -13.543 -0.642 1.00 0.00 N ATOM 953 CA LYS A 68 -0.440 -13.213 -1.752 1.00 0.00 C ATOM 954 C LYS A 68 0.923 -12.843 -1.179 1.00 0.00 C ATOM 955 O LYS A 68 1.836 -12.479 -1.893 1.00 0.00 O ATOM 956 CB LYS A 68 -1.012 -12.040 -2.542 1.00 0.00 C ATOM 957 CG LYS A 68 -2.425 -12.400 -3.029 1.00 0.00 C ATOM 958 CD LYS A 68 -3.472 -11.872 -2.046 1.00 0.00 C ATOM 959 CE LYS A 68 -4.869 -12.071 -2.635 1.00 0.00 C ATOM 960 NZ LYS A 68 -5.883 -11.461 -1.728 1.00 0.00 N ATOM 0 H LYS A 68 -1.781 -12.738 -0.165 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.321 -14.074 -2.410 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.046 -11.147 -1.917 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.369 -11.810 -3.392 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.596 -11.975 -4.018 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.520 -13.481 -3.127 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.389 -12.396 -1.094 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.297 -10.815 -1.845 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.927 -11.614 -3.623 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.073 -13.134 -2.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.812 -11.460 -2.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.939 -12.013 -0.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.606 -10.483 -1.505 1.00 0.00 H new ATOM 974 N LYS A 69 1.065 -12.948 0.108 1.00 0.00 N ATOM 975 CA LYS A 69 2.364 -12.622 0.755 1.00 0.00 C ATOM 976 C LYS A 69 2.790 -11.190 0.405 1.00 0.00 C ATOM 977 O LYS A 69 3.926 -10.810 0.607 1.00 0.00 O ATOM 978 CB LYS A 69 3.436 -13.615 0.280 1.00 0.00 C ATOM 979 CG LYS A 69 3.504 -14.812 1.240 1.00 0.00 C ATOM 980 CD LYS A 69 2.093 -15.366 1.495 1.00 0.00 C ATOM 981 CE LYS A 69 2.175 -16.863 1.802 1.00 0.00 C ATOM 982 NZ LYS A 69 3.042 -17.079 2.995 1.00 0.00 N ATOM 0 H LYS A 69 0.330 -13.249 0.748 1.00 0.00 H new ATOM 0 HA LYS A 69 2.251 -12.697 1.836 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.204 -13.959 -0.728 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.406 -13.121 0.232 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.138 -15.591 0.817 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.959 -14.507 2.182 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.630 -14.839 2.329 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.462 -15.198 0.622 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.178 -17.262 1.987 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.579 -17.400 0.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.925 -18.054 3.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.036 -16.920 2.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.770 -16.414 3.747 1.00 0.00 H new ATOM 996 N HIS A 70 1.888 -10.379 -0.085 1.00 0.00 N ATOM 997 CA HIS A 70 2.266 -8.967 -0.399 1.00 0.00 C ATOM 998 C HIS A 70 2.397 -8.225 0.932 1.00 0.00 C ATOM 999 O HIS A 70 1.457 -8.141 1.695 1.00 0.00 O ATOM 1000 CB HIS A 70 1.184 -8.318 -1.266 1.00 0.00 C ATOM 1001 CG HIS A 70 1.192 -8.962 -2.625 1.00 0.00 C ATOM 1002 ND1 HIS A 70 0.040 -9.104 -3.387 1.00 0.00 N ATOM 1003 CD2 HIS A 70 2.207 -9.509 -3.377 1.00 0.00 C ATOM 1004 CE1 HIS A 70 0.388 -9.712 -4.537 1.00 0.00 C ATOM 1005 NE2 HIS A 70 1.692 -9.979 -4.578 1.00 0.00 N ATOM 0 H HIS A 70 0.918 -10.628 -0.280 1.00 0.00 H new ATOM 0 HA HIS A 70 3.205 -8.929 -0.951 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.206 -8.437 -0.799 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.366 -7.247 -1.356 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -0.898 -8.803 -3.124 1.00 0.00 H new ATOM 0 HD2 HIS A 70 3.244 -9.564 -3.079 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.305 -9.953 -5.329 1.00 0.00 H new ATOM 1013 N ASN A 71 3.562 -7.718 1.241 1.00 0.00 N ATOM 1014 CA ASN A 71 3.740 -7.029 2.550 1.00 0.00 C ATOM 1015 C ASN A 71 3.424 -5.537 2.431 1.00 0.00 C ATOM 1016 O ASN A 71 2.892 -4.937 3.343 1.00 0.00 O ATOM 1017 CB ASN A 71 5.189 -7.210 3.008 1.00 0.00 C ATOM 1018 CG ASN A 71 6.104 -7.326 1.785 1.00 0.00 C ATOM 1019 OD1 ASN A 71 6.173 -8.367 1.161 1.00 0.00 O ATOM 1020 ND2 ASN A 71 6.813 -6.296 1.413 1.00 0.00 N ATOM 0 H ASN A 71 4.391 -7.751 0.648 1.00 0.00 H new ATOM 0 HA ASN A 71 3.054 -7.465 3.276 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.494 -6.364 3.624 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.277 -8.103 3.626 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.424 -6.365 0.599 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.756 -5.422 1.936 1.00 0.00 H new ATOM 1027 N LEU A 72 3.777 -4.923 1.338 1.00 0.00 N ATOM 1028 CA LEU A 72 3.536 -3.457 1.202 1.00 0.00 C ATOM 1029 C LEU A 72 2.123 -3.137 0.710 1.00 0.00 C ATOM 1030 O LEU A 72 1.622 -3.701 -0.243 1.00 0.00 O ATOM 1031 CB LEU A 72 4.545 -2.878 0.217 1.00 0.00 C ATOM 1032 CG LEU A 72 5.948 -2.972 0.820 1.00 0.00 C ATOM 1033 CD1 LEU A 72 6.986 -2.860 -0.293 1.00 0.00 C ATOM 1034 CD2 LEU A 72 6.162 -1.836 1.830 1.00 0.00 C ATOM 0 H LEU A 72 4.220 -5.369 0.535 1.00 0.00 H new ATOM 0 HA LEU A 72 3.649 -3.013 2.191 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.504 -3.423 -0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.300 -1.839 -0.004 1.00 0.00 H new ATOM 0 HG LEU A 72 6.055 -3.930 1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.986 -2.927 0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.842 -3.670 -1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.872 -1.903 -0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.163 -1.910 2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.052 -0.876 1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.423 -1.914 2.627 1.00 0.00 H new ATOM 1046 N THR A 73 1.507 -2.187 1.356 1.00 0.00 N ATOM 1047 CA THR A 73 0.146 -1.729 0.969 1.00 0.00 C ATOM 1048 C THR A 73 0.053 -0.253 1.362 1.00 0.00 C ATOM 1049 O THR A 73 0.814 0.204 2.186 1.00 0.00 O ATOM 1050 CB THR A 73 -0.914 -2.542 1.714 1.00 0.00 C ATOM 1051 OG1 THR A 73 -2.201 -2.011 1.430 1.00 0.00 O ATOM 1052 CG2 THR A 73 -0.648 -2.467 3.217 1.00 0.00 C ATOM 0 H THR A 73 1.903 -1.697 2.158 1.00 0.00 H new ATOM 0 HA THR A 73 -0.026 -1.862 -0.099 1.00 0.00 H new ATOM 0 HB THR A 73 -0.872 -3.582 1.391 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.147 -1.425 0.647 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.403 -3.046 3.749 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.340 -2.874 3.432 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.691 -1.428 3.543 1.00 0.00 H new ATOM 1060 N VAL A 74 -0.837 0.510 0.783 1.00 0.00 N ATOM 1061 CA VAL A 74 -0.899 1.962 1.148 1.00 0.00 C ATOM 1062 C VAL A 74 -2.278 2.332 1.691 1.00 0.00 C ATOM 1063 O VAL A 74 -3.299 2.066 1.087 1.00 0.00 O ATOM 1064 CB VAL A 74 -0.576 2.811 -0.088 1.00 0.00 C ATOM 1065 CG1 VAL A 74 -1.326 2.263 -1.305 1.00 0.00 C ATOM 1066 CG2 VAL A 74 -1.001 4.264 0.149 1.00 0.00 C ATOM 0 H VAL A 74 -1.514 0.201 0.085 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.165 2.157 1.930 1.00 0.00 H new ATOM 0 HB VAL A 74 0.498 2.771 -0.270 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.093 2.870 -2.180 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.021 1.232 -1.487 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.399 2.296 -1.116 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.768 4.860 -0.734 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.073 4.303 0.340 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.464 4.664 1.009 1.00 0.00 H new ATOM 1076 N ASN A 75 -2.295 2.961 2.838 1.00 0.00 N ATOM 1077 CA ASN A 75 -3.581 3.379 3.457 1.00 0.00 C ATOM 1078 C ASN A 75 -4.063 4.663 2.790 1.00 0.00 C ATOM 1079 O ASN A 75 -3.545 5.735 3.030 1.00 0.00 O ATOM 1080 CB ASN A 75 -3.370 3.630 4.952 1.00 0.00 C ATOM 1081 CG ASN A 75 -4.728 3.751 5.646 1.00 0.00 C ATOM 1082 OD1 ASN A 75 -5.743 3.903 4.997 1.00 0.00 O ATOM 1083 ND2 ASN A 75 -4.789 3.690 6.948 1.00 0.00 N ATOM 0 H ASN A 75 -1.462 3.204 3.375 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.325 2.594 3.324 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -2.797 2.814 5.391 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.791 4.542 5.100 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.689 3.770 7.421 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.936 3.562 7.493 1.00 0.00 H new ATOM 1090 N LEU A 76 -5.055 4.561 1.954 1.00 0.00 N ATOM 1091 CA LEU A 76 -5.579 5.771 1.266 1.00 0.00 C ATOM 1092 C LEU A 76 -6.260 6.666 2.298 1.00 0.00 C ATOM 1093 O LEU A 76 -6.906 7.641 1.968 1.00 0.00 O ATOM 1094 CB LEU A 76 -6.585 5.344 0.193 1.00 0.00 C ATOM 1095 CG LEU A 76 -6.060 4.093 -0.550 1.00 0.00 C ATOM 1096 CD1 LEU A 76 -7.198 3.082 -0.791 1.00 0.00 C ATOM 1097 CD2 LEU A 76 -5.437 4.502 -1.895 1.00 0.00 C ATOM 0 H LEU A 76 -5.527 3.689 1.716 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.765 6.319 0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.550 5.127 0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.744 6.158 -0.514 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.300 3.620 0.072 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.806 2.210 -1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.618 2.772 0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.977 3.548 -1.395 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.070 3.615 -2.411 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.190 4.994 -2.510 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.608 5.188 -1.719 1.00 0.00 H new ATOM 1109 N THR A 77 -6.108 6.338 3.548 1.00 0.00 N ATOM 1110 CA THR A 77 -6.727 7.156 4.623 1.00 0.00 C ATOM 1111 C THR A 77 -5.722 8.200 5.092 1.00 0.00 C ATOM 1112 O THR A 77 -6.070 9.325 5.393 1.00 0.00 O ATOM 1113 CB THR A 77 -7.089 6.246 5.794 1.00 0.00 C ATOM 1114 OG1 THR A 77 -7.889 5.177 5.315 1.00 0.00 O ATOM 1115 CG2 THR A 77 -7.852 7.050 6.851 1.00 0.00 C ATOM 0 H THR A 77 -5.576 5.531 3.874 1.00 0.00 H new ATOM 0 HA THR A 77 -7.624 7.649 4.247 1.00 0.00 H new ATOM 0 HB THR A 77 -6.184 5.843 6.249 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.318 4.511 4.878 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.110 6.400 7.687 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.226 7.868 7.208 1.00 0.00 H new ATOM 0 HG23 THR A 77 -8.764 7.455 6.412 1.00 0.00 H new ATOM 1123 N THR A 78 -4.474 7.824 5.169 1.00 0.00 N ATOM 1124 CA THR A 78 -3.428 8.785 5.638 1.00 0.00 C ATOM 1125 C THR A 78 -2.349 8.997 4.569 1.00 0.00 C ATOM 1126 O THR A 78 -1.590 9.943 4.633 1.00 0.00 O ATOM 1127 CB THR A 78 -2.772 8.238 6.906 1.00 0.00 C ATOM 1128 OG1 THR A 78 -3.769 7.684 7.753 1.00 0.00 O ATOM 1129 CG2 THR A 78 -2.046 9.369 7.637 1.00 0.00 C ATOM 0 H THR A 78 -4.131 6.894 4.928 1.00 0.00 H new ATOM 0 HA THR A 78 -3.909 9.742 5.839 1.00 0.00 H new ATOM 0 HB THR A 78 -2.053 7.464 6.638 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.991 8.325 8.460 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.579 8.977 8.541 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.280 9.790 6.986 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.761 10.146 7.906 1.00 0.00 H new ATOM 1137 N PHE A 79 -2.274 8.139 3.591 1.00 0.00 N ATOM 1138 CA PHE A 79 -1.243 8.306 2.520 1.00 0.00 C ATOM 1139 C PHE A 79 0.127 7.815 3.007 1.00 0.00 C ATOM 1140 O PHE A 79 1.121 8.508 2.910 1.00 0.00 O ATOM 1141 CB PHE A 79 -1.151 9.783 2.112 1.00 0.00 C ATOM 1142 CG PHE A 79 -0.767 9.886 0.653 1.00 0.00 C ATOM 1143 CD1 PHE A 79 0.508 10.341 0.293 1.00 0.00 C ATOM 1144 CD2 PHE A 79 -1.687 9.524 -0.338 1.00 0.00 C ATOM 1145 CE1 PHE A 79 0.861 10.434 -1.058 1.00 0.00 C ATOM 1146 CE2 PHE A 79 -1.333 9.617 -1.689 1.00 0.00 C ATOM 1147 CZ PHE A 79 -0.059 10.072 -2.049 1.00 0.00 C ATOM 0 H PHE A 79 -2.882 7.327 3.484 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.539 7.709 1.657 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -2.107 10.277 2.282 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.413 10.295 2.729 1.00 0.00 H new ATOM 0 HD1 PHE A 79 1.218 10.620 1.057 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.670 9.173 -0.060 1.00 0.00 H new ATOM 0 HE1 PHE A 79 1.844 10.785 -1.336 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.043 9.338 -2.454 1.00 0.00 H new ATOM 0 HZ PHE A 79 0.214 10.144 -3.091 1.00 0.00 H new ATOM 1157 N ARG A 80 0.187 6.606 3.492 1.00 0.00 N ATOM 1158 CA ARG A 80 1.479 6.024 3.951 1.00 0.00 C ATOM 1159 C ARG A 80 1.456 4.548 3.572 1.00 0.00 C ATOM 1160 O ARG A 80 0.501 4.073 2.994 1.00 0.00 O ATOM 1161 CB ARG A 80 1.656 6.169 5.472 1.00 0.00 C ATOM 1162 CG ARG A 80 0.325 6.531 6.145 1.00 0.00 C ATOM 1163 CD ARG A 80 0.364 6.062 7.604 1.00 0.00 C ATOM 1164 NE ARG A 80 -0.903 6.432 8.300 1.00 0.00 N ATOM 1165 CZ ARG A 80 -0.900 6.705 9.579 1.00 0.00 C ATOM 1166 NH1 ARG A 80 -2.015 7.025 10.178 1.00 0.00 N ATOM 1167 NH2 ARG A 80 0.213 6.655 10.260 1.00 0.00 N ATOM 0 H ARG A 80 -0.618 5.987 3.591 1.00 0.00 H new ATOM 0 HA ARG A 80 2.312 6.549 3.482 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.037 5.237 5.889 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.397 6.940 5.684 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.160 7.607 6.099 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.504 6.058 5.619 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.506 4.982 7.642 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.214 6.514 8.116 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.777 6.472 7.775 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -2.886 7.062 9.649 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.015 7.238 11.175 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.085 6.402 9.795 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.211 6.869 11.257 1.00 0.00 H new ATOM 1181 N LEU A 81 2.487 3.819 3.873 1.00 0.00 N ATOM 1182 CA LEU A 81 2.502 2.378 3.502 1.00 0.00 C ATOM 1183 C LEU A 81 2.537 1.513 4.755 1.00 0.00 C ATOM 1184 O LEU A 81 2.606 1.995 5.867 1.00 0.00 O ATOM 1185 CB LEU A 81 3.740 2.088 2.644 1.00 0.00 C ATOM 1186 CG LEU A 81 3.396 2.222 1.155 1.00 0.00 C ATOM 1187 CD1 LEU A 81 4.634 2.698 0.386 1.00 0.00 C ATOM 1188 CD2 LEU A 81 2.925 0.871 0.582 1.00 0.00 C ATOM 0 H LEU A 81 3.319 4.154 4.358 1.00 0.00 H new ATOM 0 HA LEU A 81 1.599 2.145 2.937 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.541 2.780 2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.107 1.083 2.851 1.00 0.00 H new ATOM 0 HG LEU A 81 2.590 2.948 1.047 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.391 2.793 -0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.953 3.665 0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.439 1.974 0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.686 0.988 -0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.718 0.131 0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.038 0.537 1.120 1.00 0.00 H new ATOM 1200 N TRP A 82 2.498 0.231 4.560 1.00 0.00 N ATOM 1201 CA TRP A 82 2.540 -0.719 5.697 1.00 0.00 C ATOM 1202 C TRP A 82 3.128 -2.024 5.177 1.00 0.00 C ATOM 1203 O TRP A 82 2.523 -2.713 4.377 1.00 0.00 O ATOM 1204 CB TRP A 82 1.128 -0.964 6.233 1.00 0.00 C ATOM 1205 CG TRP A 82 1.192 -1.918 7.383 1.00 0.00 C ATOM 1206 CD1 TRP A 82 1.436 -3.245 7.276 1.00 0.00 C ATOM 1207 CD2 TRP A 82 1.018 -1.647 8.803 1.00 0.00 C ATOM 1208 NE1 TRP A 82 1.421 -3.805 8.541 1.00 0.00 N ATOM 1209 CE2 TRP A 82 1.168 -2.860 9.515 1.00 0.00 C ATOM 1210 CE3 TRP A 82 0.746 -0.477 9.536 1.00 0.00 C ATOM 1211 CZ2 TRP A 82 1.054 -2.912 10.905 1.00 0.00 C ATOM 1212 CZ3 TRP A 82 0.630 -0.525 10.935 1.00 0.00 C ATOM 1213 CH2 TRP A 82 0.783 -1.740 11.618 1.00 0.00 C ATOM 0 H TRP A 82 2.438 -0.208 3.641 1.00 0.00 H new ATOM 0 HA TRP A 82 3.145 -0.316 6.509 1.00 0.00 H new ATOM 0 HB2 TRP A 82 0.680 -0.023 6.551 1.00 0.00 H new ATOM 0 HB3 TRP A 82 0.493 -1.369 5.445 1.00 0.00 H new ATOM 0 HD1 TRP A 82 1.613 -3.779 6.354 1.00 0.00 H new ATOM 0 HE1 TRP A 82 1.578 -4.795 8.731 1.00 0.00 H new ATOM 0 HE3 TRP A 82 0.626 0.464 9.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 1.174 -3.850 11.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 0.422 0.379 11.488 1.00 0.00 H new ATOM 0 HH2 TRP A 82 0.692 -1.771 12.694 1.00 0.00 H new ATOM 1224 N CYS A 83 4.311 -2.358 5.598 1.00 0.00 N ATOM 1225 CA CYS A 83 4.946 -3.603 5.107 1.00 0.00 C ATOM 1226 C CYS A 83 4.629 -4.754 6.049 1.00 0.00 C ATOM 1227 O CYS A 83 5.146 -4.815 7.136 1.00 0.00 O ATOM 1228 CB CYS A 83 6.461 -3.403 5.062 1.00 0.00 C ATOM 1229 SG CYS A 83 7.140 -4.314 3.660 1.00 0.00 S ATOM 0 H CYS A 83 4.866 -1.820 6.263 1.00 0.00 H new ATOM 0 HA CYS A 83 4.564 -3.834 4.113 1.00 0.00 H new ATOM 0 HB2 CYS A 83 6.697 -2.343 4.971 1.00 0.00 H new ATOM 0 HB3 CYS A 83 6.913 -3.751 5.991 1.00 0.00 H new ATOM 0 HG CYS A 83 8.398 -4.564 3.873 1.00 0.00 H new ATOM 1234 N TYR A 84 3.817 -5.685 5.642 1.00 0.00 N ATOM 1235 CA TYR A 84 3.540 -6.832 6.543 1.00 0.00 C ATOM 1236 C TYR A 84 4.822 -7.656 6.619 1.00 0.00 C ATOM 1237 O TYR A 84 4.892 -8.675 7.278 1.00 0.00 O ATOM 1238 CB TYR A 84 2.388 -7.681 5.985 1.00 0.00 C ATOM 1239 CG TYR A 84 1.662 -8.364 7.122 1.00 0.00 C ATOM 1240 CD1 TYR A 84 0.937 -7.601 8.046 1.00 0.00 C ATOM 1241 CD2 TYR A 84 1.713 -9.757 7.253 1.00 0.00 C ATOM 1242 CE1 TYR A 84 0.264 -8.231 9.099 1.00 0.00 C ATOM 1243 CE2 TYR A 84 1.040 -10.387 8.305 1.00 0.00 C ATOM 1244 CZ TYR A 84 0.315 -9.624 9.229 1.00 0.00 C ATOM 1245 OH TYR A 84 -0.348 -10.246 10.267 1.00 0.00 O ATOM 0 H TYR A 84 3.340 -5.703 4.740 1.00 0.00 H new ATOM 0 HA TYR A 84 3.242 -6.487 7.533 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.697 -7.051 5.426 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.776 -8.425 5.289 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.897 -6.526 7.946 1.00 0.00 H new ATOM 0 HD2 TYR A 84 2.273 -10.346 6.541 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.295 -7.642 9.811 1.00 0.00 H new ATOM 0 HE2 TYR A 84 1.079 -11.462 8.405 1.00 0.00 H new ATOM 0 HH TYR A 84 -0.210 -11.215 10.209 1.00 0.00 H new ATOM 1255 N ALA A 85 5.853 -7.183 5.963 1.00 0.00 N ATOM 1256 CA ALA A 85 7.163 -7.881 5.997 1.00 0.00 C ATOM 1257 C ALA A 85 8.032 -7.135 7.004 1.00 0.00 C ATOM 1258 O ALA A 85 8.282 -7.610 8.094 1.00 0.00 O ATOM 1259 CB ALA A 85 7.824 -7.852 4.617 1.00 0.00 C ATOM 0 H ALA A 85 5.836 -6.332 5.400 1.00 0.00 H new ATOM 0 HA ALA A 85 7.035 -8.926 6.279 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.783 -8.368 4.662 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.178 -8.349 3.894 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.983 -6.818 4.311 1.00 0.00 H new ATOM 1265 N CYS A 86 8.443 -5.931 6.677 1.00 0.00 N ATOM 1266 CA CYS A 86 9.225 -5.142 7.652 1.00 0.00 C ATOM 1267 C CYS A 86 8.273 -4.860 8.804 1.00 0.00 C ATOM 1268 O CYS A 86 8.650 -4.403 9.865 1.00 0.00 O ATOM 1269 CB CYS A 86 9.681 -3.827 7.009 1.00 0.00 C ATOM 1270 SG CYS A 86 10.559 -4.180 5.466 1.00 0.00 S ATOM 0 H CYS A 86 8.267 -5.474 5.782 1.00 0.00 H new ATOM 0 HA CYS A 86 10.117 -5.672 7.986 1.00 0.00 H new ATOM 0 HB2 CYS A 86 8.820 -3.189 6.812 1.00 0.00 H new ATOM 0 HB3 CYS A 86 10.331 -3.282 7.693 1.00 0.00 H new ATOM 0 HG CYS A 86 10.133 -3.382 4.532 1.00 0.00 H new ATOM 1275 N GLU A 87 7.021 -5.155 8.574 1.00 0.00 N ATOM 1276 CA GLU A 87 5.976 -4.947 9.607 1.00 0.00 C ATOM 1277 C GLU A 87 6.122 -3.548 10.210 1.00 0.00 C ATOM 1278 O GLU A 87 6.386 -3.378 11.384 1.00 0.00 O ATOM 1279 CB GLU A 87 6.121 -6.039 10.668 1.00 0.00 C ATOM 1280 CG GLU A 87 4.850 -6.895 10.721 1.00 0.00 C ATOM 1281 CD GLU A 87 3.730 -6.107 11.401 1.00 0.00 C ATOM 1282 OE1 GLU A 87 3.928 -4.931 11.655 1.00 0.00 O ATOM 1283 OE2 GLU A 87 2.691 -6.694 11.656 1.00 0.00 O ATOM 0 H GLU A 87 6.676 -5.539 7.694 1.00 0.00 H new ATOM 0 HA GLU A 87 4.979 -5.014 9.171 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.982 -6.667 10.439 1.00 0.00 H new ATOM 0 HB3 GLU A 87 6.305 -5.587 11.643 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.548 -7.179 9.713 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.043 -7.818 11.268 1.00 0.00 H new ATOM 1290 N LYS A 88 5.939 -2.542 9.398 1.00 0.00 N ATOM 1291 CA LYS A 88 6.048 -1.141 9.892 1.00 0.00 C ATOM 1292 C LYS A 88 5.343 -0.213 8.903 1.00 0.00 C ATOM 1293 O LYS A 88 4.777 -0.657 7.927 1.00 0.00 O ATOM 1294 CB LYS A 88 7.521 -0.746 10.001 1.00 0.00 C ATOM 1295 CG LYS A 88 8.263 -1.229 8.756 1.00 0.00 C ATOM 1296 CD LYS A 88 9.653 -0.588 8.704 1.00 0.00 C ATOM 1297 CE LYS A 88 10.479 -1.038 9.916 1.00 0.00 C ATOM 1298 NZ LYS A 88 10.383 -0.009 10.990 1.00 0.00 N ATOM 0 H LYS A 88 5.717 -2.632 8.407 1.00 0.00 H new ATOM 0 HA LYS A 88 5.583 -1.060 10.875 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.614 0.336 10.098 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.963 -1.185 10.896 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.353 -2.315 8.773 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.698 -0.970 7.860 1.00 0.00 H new ATOM 0 HD2 LYS A 88 10.160 -0.871 7.782 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.563 0.498 8.697 1.00 0.00 H new ATOM 0 HE2 LYS A 88 10.114 -1.997 10.283 1.00 0.00 H new ATOM 0 HE3 LYS A 88 11.520 -1.182 9.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.308 0.450 11.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.675 0.705 10.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.099 -0.463 11.882 1.00 0.00 H new ATOM 1312 N GLU A 89 5.375 1.070 9.145 1.00 0.00 N ATOM 1313 CA GLU A 89 4.706 2.033 8.218 1.00 0.00 C ATOM 1314 C GLU A 89 5.778 2.812 7.452 1.00 0.00 C ATOM 1315 O GLU A 89 6.828 3.113 7.983 1.00 0.00 O ATOM 1316 CB GLU A 89 3.839 3.001 9.040 1.00 0.00 C ATOM 1317 CG GLU A 89 2.419 3.062 8.465 1.00 0.00 C ATOM 1318 CD GLU A 89 1.460 3.599 9.530 1.00 0.00 C ATOM 1319 OE1 GLU A 89 1.874 4.457 10.293 1.00 0.00 O ATOM 1320 OE2 GLU A 89 0.329 3.142 9.564 1.00 0.00 O ATOM 0 H GLU A 89 5.837 1.496 9.948 1.00 0.00 H new ATOM 0 HA GLU A 89 4.074 1.498 7.510 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.804 2.675 10.080 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.285 3.996 9.032 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.399 3.705 7.585 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.103 2.070 8.143 1.00 0.00 H new ATOM 1327 N VAL A 90 5.537 3.137 6.206 1.00 0.00 N ATOM 1328 CA VAL A 90 6.571 3.885 5.437 1.00 0.00 C ATOM 1329 C VAL A 90 5.899 4.750 4.364 1.00 0.00 C ATOM 1330 O VAL A 90 4.882 4.403 3.816 1.00 0.00 O ATOM 1331 CB VAL A 90 7.536 2.880 4.779 1.00 0.00 C ATOM 1332 CG1 VAL A 90 8.786 2.715 5.649 1.00 0.00 C ATOM 1333 CG2 VAL A 90 6.842 1.518 4.639 1.00 0.00 C ATOM 0 H VAL A 90 4.681 2.919 5.696 1.00 0.00 H new ATOM 0 HA VAL A 90 7.129 4.536 6.110 1.00 0.00 H new ATOM 0 HB VAL A 90 7.822 3.253 3.795 1.00 0.00 H new ATOM 0 HG11 VAL A 90 9.465 2.003 5.179 1.00 0.00 H new ATOM 0 HG12 VAL A 90 9.286 3.678 5.754 1.00 0.00 H new ATOM 0 HG13 VAL A 90 8.498 2.346 6.633 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.525 0.808 4.173 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.555 1.153 5.625 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.952 1.625 4.019 1.00 0.00 H new ATOM 1343 N PHE A 91 6.472 5.877 4.063 1.00 0.00 N ATOM 1344 CA PHE A 91 5.885 6.776 3.026 1.00 0.00 C ATOM 1345 C PHE A 91 6.678 6.632 1.743 1.00 0.00 C ATOM 1346 O PHE A 91 7.745 6.050 1.724 1.00 0.00 O ATOM 1347 CB PHE A 91 6.010 8.229 3.458 1.00 0.00 C ATOM 1348 CG PHE A 91 5.214 8.464 4.720 1.00 0.00 C ATOM 1349 CD1 PHE A 91 4.011 9.179 4.667 1.00 0.00 C ATOM 1350 CD2 PHE A 91 5.680 7.968 5.945 1.00 0.00 C ATOM 1351 CE1 PHE A 91 3.274 9.396 5.837 1.00 0.00 C ATOM 1352 CE2 PHE A 91 4.943 8.187 7.115 1.00 0.00 C ATOM 1353 CZ PHE A 91 3.740 8.902 7.061 1.00 0.00 C ATOM 0 H PHE A 91 7.331 6.221 4.493 1.00 0.00 H new ATOM 0 HA PHE A 91 4.838 6.506 2.888 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.058 8.478 3.628 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.651 8.885 2.665 1.00 0.00 H new ATOM 0 HD1 PHE A 91 3.652 9.563 3.724 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.608 7.417 5.987 1.00 0.00 H new ATOM 0 HE1 PHE A 91 2.345 9.945 5.795 1.00 0.00 H new ATOM 0 HE2 PHE A 91 5.302 7.805 8.059 1.00 0.00 H new ATOM 0 HZ PHE A 91 3.172 9.072 7.964 1.00 0.00 H new ATOM 1363 N LEU A 92 6.185 7.185 0.672 1.00 0.00 N ATOM 1364 CA LEU A 92 6.938 7.110 -0.597 1.00 0.00 C ATOM 1365 C LEU A 92 8.405 7.401 -0.284 1.00 0.00 C ATOM 1366 O LEU A 92 8.721 8.174 0.597 1.00 0.00 O ATOM 1367 CB LEU A 92 6.399 8.155 -1.577 1.00 0.00 C ATOM 1368 CG LEU A 92 5.010 7.733 -2.075 1.00 0.00 C ATOM 1369 CD1 LEU A 92 4.254 8.962 -2.585 1.00 0.00 C ATOM 1370 CD2 LEU A 92 5.149 6.718 -3.216 1.00 0.00 C ATOM 0 H LEU A 92 5.296 7.683 0.625 1.00 0.00 H new ATOM 0 HA LEU A 92 6.833 6.124 -1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.340 9.128 -1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.081 8.262 -2.421 1.00 0.00 H new ATOM 0 HG LEU A 92 4.461 7.278 -1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.268 8.662 -2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.145 9.684 -1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.810 9.417 -3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.159 6.424 -3.564 1.00 0.00 H new ATOM 0 HD22 LEU A 92 5.703 7.169 -4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.684 5.839 -2.857 1.00 0.00 H new ATOM 1382 N GLU A 93 9.292 6.773 -0.983 1.00 0.00 N ATOM 1383 CA GLU A 93 10.748 6.983 -0.731 1.00 0.00 C ATOM 1384 C GLU A 93 11.078 8.484 -0.699 1.00 0.00 C ATOM 1385 O GLU A 93 12.221 8.868 -0.549 1.00 0.00 O ATOM 1386 CB GLU A 93 11.566 6.286 -1.823 1.00 0.00 C ATOM 1387 CG GLU A 93 10.978 6.599 -3.204 1.00 0.00 C ATOM 1388 CD GLU A 93 11.290 5.453 -4.170 1.00 0.00 C ATOM 1389 OE1 GLU A 93 11.173 4.310 -3.761 1.00 0.00 O ATOM 1390 OE2 GLU A 93 11.640 5.738 -5.304 1.00 0.00 O ATOM 0 H GLU A 93 9.077 6.113 -1.730 1.00 0.00 H new ATOM 0 HA GLU A 93 11.004 6.554 0.238 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.604 6.617 -1.778 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.567 5.209 -1.655 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.900 6.739 -3.127 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.395 7.532 -3.584 1.00 0.00 H new ATOM 1397 N GLN A 94 10.089 9.335 -0.822 1.00 0.00 N ATOM 1398 CA GLN A 94 10.345 10.808 -0.777 1.00 0.00 C ATOM 1399 C GLN A 94 11.220 11.241 -1.955 1.00 0.00 C ATOM 1400 O GLN A 94 11.412 12.417 -2.188 1.00 0.00 O ATOM 1401 CB GLN A 94 11.063 11.162 0.522 1.00 0.00 C ATOM 1402 CG GLN A 94 10.433 10.398 1.687 1.00 0.00 C ATOM 1403 CD GLN A 94 10.909 11.001 3.011 1.00 0.00 C ATOM 1404 OE1 GLN A 94 11.812 11.943 2.996 1.00 0.00 O flip ATOM 1405 NE2 GLN A 94 10.455 10.611 4.068 1.00 0.00 N flip ATOM 0 H GLN A 94 9.112 9.072 -0.952 1.00 0.00 H new ATOM 0 HA GLN A 94 9.387 11.325 -0.833 1.00 0.00 H new ATOM 0 HB2 GLN A 94 12.121 10.914 0.442 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.000 12.235 0.702 1.00 0.00 H new ATOM 0 HG2 GLN A 94 9.346 10.448 1.623 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.708 9.344 1.636 1.00 0.00 H new ATOM 0 HE21 GLN A 94 9.749 9.875 4.079 1.00 0.00 H new ATOM 0 HE22 GLN A 94 10.780 11.020 4.944 1.00 0.00 H new