USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1003 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 43 ASN : amide:sc= 1.01 K(o=2.1,f=0.27) USER MOD Set 1.2: A 47 GLN : amide:sc= 1.14 K(o=2.1,f=0.27) USER MOD Set 2.1: A 7 TYR OH : rot 120:sc= 0.738 USER MOD Set 2.2: B 29 SER OG : rot 167:sc= 1.05 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN :FLIP amide:sc= -0.0173 F(o=-1.2,f=-0.017) USER MOD Single : A 14 LYS NZ :NH3+ -175:sc= 1.15 (180deg=0.71) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0.961 K(o=0.96,f=-4.4!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 72:sc= 1.54 USER MOD Single : A 35 MET CE :methyl 169:sc= -0.0198 (180deg=-0.243) USER MOD Single : A 39 ASN : amide:sc= 1.16 K(o=1.2,f=-0.0067) USER MOD Single : A 42 THR OG1 : rot 86:sc= 1.34 USER MOD Single : A 46 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.177 F(o=-0.83,f=-0.18) USER MOD Single : A 55 LYS NZ :NH3+ 129:sc= 1.38 (180deg=0.56) USER MOD Single : A 60 LYS NZ :NH3+ 175:sc= 0.878 (180deg=0.794) USER MOD Single : A 63 GLN : amide:sc= -0.145 X(o=-0.14,f=-0.33) USER MOD Single : A 66 MET CE :methyl -122:sc= -1.58 (180deg=-5.43!) USER MOD Single : A 67 SER OG : rot -81:sc= 0.908 USER MOD Single : A 68 SER OG : rot 90:sc= 1.29 USER MOD Single : B 8 THR OG1 : rot 20:sc= 0.233 USER MOD Single : B 11 GLN :FLIP amide:sc= -0.0319 F(o=-1.5!,f=-0.032) USER MOD Single : B 14 LYS NZ :NH3+ 166:sc= -0.616! (180deg=-1.82!) USER MOD Single : B 25 LYS NZ :NH3+ 178:sc= 1.24 (180deg=1.23) USER MOD Single : B 26 HIS : no HD1:sc= 0.0534 K(o=0.053,f=-6.2!) USER MOD Single : B 33 THR OG1 : rot 74:sc= 1.15 USER MOD Single : B 35 MET CE :methyl 163:sc= -0.493 (180deg=-1.25) USER MOD Single : B 39 ASN : amide:sc= 0.735 K(o=0.73,f=0) USER MOD Single : B 42 THR OG1 : rot 81:sc= 1.23 USER MOD Single : B 43 ASN : amide:sc= 1.16 K(o=1.2,f=-0.033) USER MOD Single : B 46 ASN : amide:sc= 1.3 K(o=1.3,f=-0.057) USER MOD Single : B 47 GLN :FLIP amide:sc=-0.00185 F(o=-1.1,f=-0.0019) USER MOD Single : B 52 SER OG : rot 180:sc= 0 USER MOD Single : B 53 GLN : amide:sc= -0.682 K(o=-0.68,f=-4.2!) USER MOD Single : B 55 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0219) USER MOD Single : B 60 LYS NZ :NH3+ 176:sc= 1.18 (180deg=1.06) USER MOD Single : B 63 GLN : amide:sc=-0.00191 X(o=-0.0019,f=-0.049) USER MOD Single : B 66 MET CE :methyl -121:sc= -1.06 (180deg=-5.1!) USER MOD Single : B 67 SER OG : rot -80:sc= 0.649 USER MOD Single : B 68 SER OG : rot 76:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 97 N TYR A 7 -4.943 5.231 16.423 1.00 0.00 N ATOM 98 CA TYR A 7 -5.186 6.651 16.232 1.00 0.00 C ATOM 99 C TYR A 7 -6.678 6.918 16.082 1.00 0.00 C ATOM 100 O TYR A 7 -7.458 6.002 15.815 1.00 0.00 O ATOM 101 CB TYR A 7 -4.450 7.165 14.988 1.00 0.00 C ATOM 102 CG TYR A 7 -2.975 6.826 14.950 1.00 0.00 C ATOM 103 CD1 TYR A 7 -2.111 7.269 15.942 1.00 0.00 C ATOM 104 CD2 TYR A 7 -2.451 6.063 13.914 1.00 0.00 C ATOM 105 CE1 TYR A 7 -0.763 6.964 15.901 1.00 0.00 C ATOM 106 CE2 TYR A 7 -1.105 5.752 13.866 1.00 0.00 C ATOM 107 CZ TYR A 7 -0.265 6.203 14.865 1.00 0.00 C ATOM 108 OH TYR A 7 1.080 5.900 14.823 1.00 0.00 O ATOM 0 HA TYR A 7 -4.811 7.178 17.110 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.929 6.751 14.101 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.563 8.248 14.935 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.498 7.861 16.758 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -3.106 5.707 13.133 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -0.103 7.321 16.678 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -0.713 5.160 13.052 1.00 0.00 H new ATOM 0 HH TYR A 7 1.197 4.927 14.845 1.00 0.00 H new ATOM 118 N THR A 8 -7.062 8.173 16.251 1.00 0.00 N ATOM 119 CA THR A 8 -8.449 8.582 16.105 1.00 0.00 C ATOM 120 C THR A 8 -8.921 8.378 14.665 1.00 0.00 C ATOM 121 O THR A 8 -8.292 8.872 13.726 1.00 0.00 O ATOM 122 CB THR A 8 -8.612 10.064 16.493 1.00 0.00 C ATOM 123 OG1 THR A 8 -8.012 10.305 17.773 1.00 0.00 O ATOM 124 CG2 THR A 8 -10.078 10.464 16.535 1.00 0.00 C ATOM 0 H THR A 8 -6.425 8.933 16.492 1.00 0.00 H new ATOM 0 HA THR A 8 -9.056 7.966 16.768 1.00 0.00 H new ATOM 0 HB THR A 8 -8.112 10.666 15.734 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.118 11.250 18.012 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.161 11.515 16.812 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.525 10.311 15.553 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.601 9.853 17.271 1.00 0.00 H new ATOM 132 N ASP A 9 -10.022 7.651 14.494 1.00 0.00 N ATOM 133 CA ASP A 9 -10.554 7.369 13.162 1.00 0.00 C ATOM 134 C ASP A 9 -11.021 8.653 12.485 1.00 0.00 C ATOM 135 O ASP A 9 -10.921 8.785 11.269 1.00 0.00 O ATOM 136 CB ASP A 9 -11.692 6.338 13.215 1.00 0.00 C ATOM 137 CG ASP A 9 -12.922 6.825 13.955 1.00 0.00 C ATOM 138 OD1 ASP A 9 -13.806 7.437 13.320 1.00 0.00 O ATOM 139 OD2 ASP A 9 -13.017 6.583 15.176 1.00 0.00 O ATOM 0 H ASP A 9 -10.563 7.247 15.259 1.00 0.00 H new ATOM 0 HA ASP A 9 -9.747 6.939 12.569 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.974 6.069 12.197 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -11.326 5.430 13.695 1.00 0.00 H new ATOM 144 N GLU A 10 -11.515 9.598 13.284 1.00 0.00 N ATOM 145 CA GLU A 10 -11.840 10.939 12.799 1.00 0.00 C ATOM 146 C GLU A 10 -10.635 11.530 12.071 1.00 0.00 C ATOM 147 O GLU A 10 -10.731 11.952 10.920 1.00 0.00 O ATOM 148 CB GLU A 10 -12.253 11.823 13.989 1.00 0.00 C ATOM 149 CG GLU A 10 -12.147 13.326 13.751 1.00 0.00 C ATOM 150 CD GLU A 10 -13.030 13.824 12.628 1.00 0.00 C ATOM 151 OE1 GLU A 10 -14.223 13.468 12.596 1.00 0.00 O ATOM 152 OE2 GLU A 10 -12.537 14.599 11.785 1.00 0.00 O ATOM 0 H GLU A 10 -11.700 9.458 14.277 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.672 10.889 12.096 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.283 11.586 14.257 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.633 11.563 14.847 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.411 13.851 14.669 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.111 13.578 13.526 1.00 0.00 H new ATOM 159 N GLN A 11 -9.499 11.517 12.754 1.00 0.00 N ATOM 160 CA GLN A 11 -8.256 12.019 12.197 1.00 0.00 C ATOM 161 C GLN A 11 -7.876 11.252 10.933 1.00 0.00 C ATOM 162 O GLN A 11 -7.693 11.849 9.872 1.00 0.00 O ATOM 163 CB GLN A 11 -7.145 11.914 13.244 1.00 0.00 C ATOM 164 CG GLN A 11 -5.752 12.177 12.701 1.00 0.00 C ATOM 165 CD GLN A 11 -4.691 12.134 13.781 1.00 0.00 C ATOM 166 OE1 GLN A 11 -5.046 12.575 14.980 1.00 0.00 O flip ATOM 167 NE2 GLN A 11 -3.558 11.726 13.538 1.00 0.00 N flip ATOM 0 H GLN A 11 -9.415 11.159 13.706 1.00 0.00 H new ATOM 0 HA GLN A 11 -8.391 13.065 11.923 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.350 12.622 14.047 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -7.169 10.917 13.684 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.518 11.436 11.936 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.733 13.153 12.216 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.325 11.395 12.602 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.850 11.718 14.272 1.00 0.00 H new ATOM 176 N VAL A 12 -7.790 9.931 11.051 1.00 0.00 N ATOM 177 CA VAL A 12 -7.372 9.076 9.944 1.00 0.00 C ATOM 178 C VAL A 12 -8.271 9.261 8.722 1.00 0.00 C ATOM 179 O VAL A 12 -7.780 9.483 7.615 1.00 0.00 O ATOM 180 CB VAL A 12 -7.376 7.585 10.347 1.00 0.00 C ATOM 181 CG1 VAL A 12 -6.933 6.712 9.185 1.00 0.00 C ATOM 182 CG2 VAL A 12 -6.482 7.347 11.554 1.00 0.00 C ATOM 0 H VAL A 12 -8.006 9.425 11.910 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.355 9.376 9.689 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.397 7.314 10.616 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.943 5.666 9.491 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.614 6.851 8.345 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.924 6.992 8.884 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.502 6.290 11.818 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.461 7.642 11.314 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.842 7.938 12.396 1.00 0.00 H new ATOM 192 N GLU A 13 -9.581 9.193 8.937 1.00 0.00 N ATOM 193 CA GLU A 13 -10.548 9.255 7.845 1.00 0.00 C ATOM 194 C GLU A 13 -10.426 10.569 7.077 1.00 0.00 C ATOM 195 O GLU A 13 -10.456 10.581 5.846 1.00 0.00 O ATOM 196 CB GLU A 13 -11.974 9.095 8.379 1.00 0.00 C ATOM 197 CG GLU A 13 -13.013 8.893 7.288 1.00 0.00 C ATOM 198 CD GLU A 13 -14.429 8.859 7.821 1.00 0.00 C ATOM 199 OE1 GLU A 13 -14.773 7.913 8.562 1.00 0.00 O ATOM 200 OE2 GLU A 13 -15.214 9.769 7.482 1.00 0.00 O ATOM 0 H GLU A 13 -9.999 9.094 9.862 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.330 8.434 7.162 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.005 8.245 9.060 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.237 9.979 8.960 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.925 9.696 6.556 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.805 7.960 6.764 1.00 0.00 H new ATOM 207 N LYS A 14 -10.272 11.672 7.802 1.00 0.00 N ATOM 208 CA LYS A 14 -10.170 12.979 7.166 1.00 0.00 C ATOM 209 C LYS A 14 -8.869 13.106 6.375 1.00 0.00 C ATOM 210 O LYS A 14 -8.838 13.756 5.327 1.00 0.00 O ATOM 211 CB LYS A 14 -10.284 14.097 8.200 1.00 0.00 C ATOM 212 CG LYS A 14 -11.613 14.095 8.936 1.00 0.00 C ATOM 213 CD LYS A 14 -12.789 14.279 7.988 1.00 0.00 C ATOM 214 CE LYS A 14 -14.117 14.006 8.679 1.00 0.00 C ATOM 215 NZ LYS A 14 -14.341 14.902 9.843 1.00 0.00 N ATOM 0 H LYS A 14 -10.216 11.687 8.820 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.000 13.075 6.466 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.475 13.998 8.923 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -10.152 15.058 7.703 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.727 13.155 9.477 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.618 14.893 9.679 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.785 15.296 7.596 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.678 13.609 7.136 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.929 14.133 7.964 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.145 12.968 9.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.216 14.624 10.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.538 14.826 10.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.426 15.885 9.513 1.00 0.00 H new ATOM 229 N ILE A 15 -7.802 12.477 6.862 1.00 0.00 N ATOM 230 CA ILE A 15 -6.541 12.475 6.135 1.00 0.00 C ATOM 231 C ILE A 15 -6.684 11.630 4.876 1.00 0.00 C ATOM 232 O ILE A 15 -6.260 12.036 3.794 1.00 0.00 O ATOM 233 CB ILE A 15 -5.370 11.938 6.987 1.00 0.00 C ATOM 234 CG1 ILE A 15 -5.261 12.717 8.299 1.00 0.00 C ATOM 235 CG2 ILE A 15 -4.066 12.040 6.206 1.00 0.00 C ATOM 236 CD1 ILE A 15 -4.217 12.170 9.251 1.00 0.00 C ATOM 0 H ILE A 15 -7.787 11.969 7.746 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.309 13.509 5.878 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.562 10.891 7.221 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.025 13.757 8.074 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.231 12.711 8.796 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.246 11.659 6.815 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.143 11.452 5.292 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.875 13.083 5.952 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.199 12.775 10.158 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.462 11.139 9.507 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.237 12.202 8.774 1.00 0.00 H new ATOM 248 N LEU A 16 -7.308 10.464 5.025 1.00 0.00 N ATOM 249 CA LEU A 16 -7.574 9.579 3.895 1.00 0.00 C ATOM 250 C LEU A 16 -8.374 10.305 2.823 1.00 0.00 C ATOM 251 O LEU A 16 -8.096 10.173 1.632 1.00 0.00 O ATOM 252 CB LEU A 16 -8.340 8.334 4.349 1.00 0.00 C ATOM 253 CG LEU A 16 -7.586 7.409 5.305 1.00 0.00 C ATOM 254 CD1 LEU A 16 -8.480 6.262 5.749 1.00 0.00 C ATOM 255 CD2 LEU A 16 -6.328 6.874 4.641 1.00 0.00 C ATOM 0 H LEU A 16 -7.640 10.109 5.922 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.615 9.272 3.479 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.263 8.653 4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.624 7.762 3.466 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.296 7.982 6.186 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.928 5.613 6.429 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.357 6.661 6.259 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.797 5.689 4.877 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.802 6.217 5.334 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.599 6.315 3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.679 7.706 4.367 1.00 0.00 H new ATOM 267 N ALA A 17 -9.365 11.076 3.262 1.00 0.00 N ATOM 268 CA ALA A 17 -10.197 11.855 2.355 1.00 0.00 C ATOM 269 C ALA A 17 -9.352 12.810 1.516 1.00 0.00 C ATOM 270 O ALA A 17 -9.527 12.896 0.303 1.00 0.00 O ATOM 271 CB ALA A 17 -11.253 12.624 3.137 1.00 0.00 C ATOM 0 H ALA A 17 -9.611 11.177 4.247 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.697 11.165 1.675 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -11.868 13.202 2.447 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.883 11.923 3.684 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.765 13.299 3.841 1.00 0.00 H new ATOM 277 N GLU A 18 -8.423 13.507 2.162 1.00 0.00 N ATOM 278 CA GLU A 18 -7.562 14.453 1.458 1.00 0.00 C ATOM 279 C GLU A 18 -6.551 13.732 0.568 1.00 0.00 C ATOM 280 O GLU A 18 -6.267 14.181 -0.542 1.00 0.00 O ATOM 281 CB GLU A 18 -6.847 15.379 2.443 1.00 0.00 C ATOM 282 CG GLU A 18 -7.767 16.412 3.072 1.00 0.00 C ATOM 283 CD GLU A 18 -7.057 17.316 4.059 1.00 0.00 C ATOM 284 OE1 GLU A 18 -6.352 18.250 3.623 1.00 0.00 O ATOM 285 OE2 GLU A 18 -7.204 17.102 5.278 1.00 0.00 O ATOM 0 H GLU A 18 -8.247 13.436 3.164 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.199 15.061 0.816 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.393 14.779 3.231 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.036 15.892 1.926 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.212 17.021 2.285 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.585 15.901 3.580 1.00 0.00 H new ATOM 292 N VAL A 19 -6.025 12.607 1.045 1.00 0.00 N ATOM 293 CA VAL A 19 -5.079 11.812 0.262 1.00 0.00 C ATOM 294 C VAL A 19 -5.753 11.260 -0.994 1.00 0.00 C ATOM 295 O VAL A 19 -5.223 11.379 -2.101 1.00 0.00 O ATOM 296 CB VAL A 19 -4.489 10.644 1.087 1.00 0.00 C ATOM 297 CG1 VAL A 19 -3.614 9.752 0.217 1.00 0.00 C ATOM 298 CG2 VAL A 19 -3.687 11.173 2.266 1.00 0.00 C ATOM 0 H VAL A 19 -6.236 12.225 1.967 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.262 12.475 -0.024 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.319 10.048 1.467 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.211 8.938 0.820 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.210 9.340 -0.597 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.793 10.339 -0.196 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.280 10.336 2.834 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.870 11.795 1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.335 11.767 2.910 1.00 0.00 H new ATOM 308 N ALA A 20 -6.931 10.672 -0.818 1.00 0.00 N ATOM 309 CA ALA A 20 -7.693 10.135 -1.938 1.00 0.00 C ATOM 310 C ALA A 20 -8.167 11.257 -2.854 1.00 0.00 C ATOM 311 O ALA A 20 -8.333 11.063 -4.059 1.00 0.00 O ATOM 312 CB ALA A 20 -8.874 9.321 -1.437 1.00 0.00 C ATOM 0 H ALA A 20 -7.379 10.555 0.091 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.040 9.478 -2.512 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.432 8.928 -2.287 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.513 8.494 -0.826 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.526 9.957 -0.838 1.00 0.00 H new ATOM 318 N LEU A 21 -8.372 12.432 -2.270 1.00 0.00 N ATOM 319 CA LEU A 21 -8.778 13.607 -3.028 1.00 0.00 C ATOM 320 C LEU A 21 -7.712 13.960 -4.059 1.00 0.00 C ATOM 321 O LEU A 21 -8.034 14.295 -5.189 1.00 0.00 O ATOM 322 CB LEU A 21 -9.038 14.791 -2.081 1.00 0.00 C ATOM 323 CG LEU A 21 -9.663 16.040 -2.714 1.00 0.00 C ATOM 324 CD1 LEU A 21 -10.467 16.800 -1.674 1.00 0.00 C ATOM 325 CD2 LEU A 21 -8.596 16.954 -3.302 1.00 0.00 C ATOM 0 H LEU A 21 -8.263 12.595 -1.269 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.706 13.384 -3.555 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.692 14.450 -1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.092 15.077 -1.622 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.319 15.715 -3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -10.908 17.686 -2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.259 16.159 -1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.812 17.101 -0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.071 17.830 -3.743 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.913 17.270 -2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.040 16.417 -4.070 1.00 0.00 H new ATOM 337 N VAL A 22 -6.444 13.852 -3.666 1.00 0.00 N ATOM 338 CA VAL A 22 -5.328 14.146 -4.566 1.00 0.00 C ATOM 339 C VAL A 22 -5.313 13.172 -5.744 1.00 0.00 C ATOM 340 O VAL A 22 -5.022 13.550 -6.882 1.00 0.00 O ATOM 341 CB VAL A 22 -3.975 14.079 -3.822 1.00 0.00 C ATOM 342 CG1 VAL A 22 -2.816 14.350 -4.770 1.00 0.00 C ATOM 343 CG2 VAL A 22 -3.953 15.063 -2.664 1.00 0.00 C ATOM 0 H VAL A 22 -6.163 13.563 -2.729 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.469 15.160 -4.941 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.860 13.071 -3.425 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.876 14.297 -4.220 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.814 13.604 -5.565 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.926 15.343 -5.205 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.993 15.001 -2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.098 16.075 -3.043 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.753 14.820 -1.965 1.00 0.00 H new ATOM 353 N LEU A 23 -5.655 11.924 -5.466 1.00 0.00 N ATOM 354 CA LEU A 23 -5.696 10.897 -6.494 1.00 0.00 C ATOM 355 C LEU A 23 -6.861 11.145 -7.450 1.00 0.00 C ATOM 356 O LEU A 23 -6.710 11.043 -8.666 1.00 0.00 O ATOM 357 CB LEU A 23 -5.805 9.510 -5.857 1.00 0.00 C ATOM 358 CG LEU A 23 -4.678 9.160 -4.883 1.00 0.00 C ATOM 359 CD1 LEU A 23 -4.871 7.762 -4.321 1.00 0.00 C ATOM 360 CD2 LEU A 23 -3.326 9.281 -5.567 1.00 0.00 C ATOM 0 H LEU A 23 -5.909 11.597 -4.534 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.769 10.940 -7.066 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.756 9.442 -5.329 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.826 8.762 -6.650 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.708 9.868 -4.054 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.059 7.532 -3.631 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.823 7.711 -3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.870 7.039 -5.136 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.536 9.028 -4.859 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.285 8.598 -6.415 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.186 10.304 -5.917 1.00 0.00 H new ATOM 372 N GLU A 24 -8.017 11.490 -6.894 1.00 0.00 N ATOM 373 CA GLU A 24 -9.188 11.837 -7.700 1.00 0.00 C ATOM 374 C GLU A 24 -8.926 13.129 -8.473 1.00 0.00 C ATOM 375 O GLU A 24 -9.329 13.279 -9.627 1.00 0.00 O ATOM 376 CB GLU A 24 -10.415 11.999 -6.794 1.00 0.00 C ATOM 377 CG GLU A 24 -11.695 12.328 -7.546 1.00 0.00 C ATOM 378 CD GLU A 24 -12.890 12.458 -6.628 1.00 0.00 C ATOM 379 OE1 GLU A 24 -12.978 13.466 -5.897 1.00 0.00 O ATOM 380 OE2 GLU A 24 -13.755 11.556 -6.639 1.00 0.00 O ATOM 0 H GLU A 24 -8.171 11.538 -5.887 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.381 11.036 -8.413 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.563 11.078 -6.230 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.218 12.789 -6.069 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.560 13.260 -8.096 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.890 11.549 -8.283 1.00 0.00 H new ATOM 387 N LYS A 25 -8.226 14.041 -7.815 1.00 0.00 N ATOM 388 CA LYS A 25 -7.848 15.334 -8.376 1.00 0.00 C ATOM 389 C LYS A 25 -7.056 15.169 -9.670 1.00 0.00 C ATOM 390 O LYS A 25 -7.218 15.934 -10.617 1.00 0.00 O ATOM 391 CB LYS A 25 -6.992 16.071 -7.349 1.00 0.00 C ATOM 392 CG LYS A 25 -7.462 17.472 -7.014 1.00 0.00 C ATOM 393 CD LYS A 25 -7.074 18.462 -8.090 1.00 0.00 C ATOM 394 CE LYS A 25 -7.091 19.877 -7.546 1.00 0.00 C ATOM 395 NZ LYS A 25 -6.655 20.869 -8.560 1.00 0.00 N ATOM 0 H LYS A 25 -7.898 13.903 -6.859 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.752 15.897 -8.607 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.965 15.483 -6.431 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.969 16.126 -7.722 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.545 17.473 -6.891 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.033 17.782 -6.061 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.080 18.224 -8.469 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.763 18.382 -8.931 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.098 20.123 -7.208 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.438 19.938 -6.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.682 21.823 -8.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.685 20.651 -8.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.293 20.830 -9.381 1.00 0.00 H new ATOM 409 N HIS A 26 -6.193 14.165 -9.694 1.00 0.00 N ATOM 410 CA HIS A 26 -5.333 13.929 -10.843 1.00 0.00 C ATOM 411 C HIS A 26 -5.838 12.765 -11.689 1.00 0.00 C ATOM 412 O HIS A 26 -5.127 12.287 -12.573 1.00 0.00 O ATOM 413 CB HIS A 26 -3.897 13.662 -10.388 1.00 0.00 C ATOM 414 CG HIS A 26 -3.150 14.892 -9.963 1.00 0.00 C ATOM 415 ND1 HIS A 26 -2.171 15.468 -10.736 1.00 0.00 N ATOM 416 CD2 HIS A 26 -3.215 15.635 -8.830 1.00 0.00 C ATOM 417 CE1 HIS A 26 -1.658 16.500 -10.099 1.00 0.00 C ATOM 418 NE2 HIS A 26 -2.270 16.626 -8.939 1.00 0.00 N ATOM 0 H HIS A 26 -6.070 13.500 -8.930 1.00 0.00 H new ATOM 0 HA HIS A 26 -5.352 14.827 -11.460 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -3.916 12.956 -9.557 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -3.353 13.182 -11.202 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -3.885 15.477 -7.998 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.867 17.137 -10.466 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -2.075 17.341 -8.238 1.00 0.00 H new ATOM 427 N ALA A 27 -7.068 12.322 -11.412 1.00 0.00 N ATOM 428 CA ALA A 27 -7.703 11.233 -12.162 1.00 0.00 C ATOM 429 C ALA A 27 -6.841 9.971 -12.157 1.00 0.00 C ATOM 430 O ALA A 27 -6.711 9.289 -13.177 1.00 0.00 O ATOM 431 CB ALA A 27 -7.994 11.679 -13.591 1.00 0.00 C ATOM 0 H ALA A 27 -7.649 12.705 -10.666 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.644 10.989 -11.669 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.465 10.863 -14.138 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.664 12.539 -13.575 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.061 11.955 -14.083 1.00 0.00 H new ATOM 437 N ALA A 28 -6.277 9.652 -10.998 1.00 0.00 N ATOM 438 CA ALA A 28 -5.392 8.504 -10.858 1.00 0.00 C ATOM 439 C ALA A 28 -6.113 7.197 -11.173 1.00 0.00 C ATOM 440 O ALA A 28 -7.142 6.877 -10.578 1.00 0.00 O ATOM 441 CB ALA A 28 -4.806 8.454 -9.455 1.00 0.00 C ATOM 0 H ALA A 28 -6.419 10.178 -10.136 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.583 8.622 -11.579 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.147 7.590 -9.367 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.238 9.365 -9.265 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.613 8.371 -8.727 1.00 0.00 H new ATOM 447 N SER A 29 -5.564 6.456 -12.123 1.00 0.00 N ATOM 448 CA SER A 29 -6.099 5.157 -12.504 1.00 0.00 C ATOM 449 C SER A 29 -5.714 4.107 -11.453 1.00 0.00 C ATOM 450 O SER A 29 -4.831 4.361 -10.632 1.00 0.00 O ATOM 451 CB SER A 29 -5.552 4.794 -13.887 1.00 0.00 C ATOM 452 OG SER A 29 -5.714 5.882 -14.783 1.00 0.00 O ATOM 0 H SER A 29 -4.737 6.737 -12.651 1.00 0.00 H new ATOM 0 HA SER A 29 -7.187 5.189 -12.552 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.497 4.531 -13.811 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.072 3.917 -14.272 1.00 0.00 H new ATOM 0 HG SER A 29 -5.359 5.637 -15.663 1.00 0.00 H new ATOM 458 N PRO A 30 -6.380 2.929 -11.441 1.00 0.00 N ATOM 459 CA PRO A 30 -6.146 1.877 -10.439 1.00 0.00 C ATOM 460 C PRO A 30 -4.671 1.569 -10.183 1.00 0.00 C ATOM 461 O PRO A 30 -4.219 1.633 -9.036 1.00 0.00 O ATOM 462 CB PRO A 30 -6.859 0.645 -11.012 1.00 0.00 C ATOM 463 CG PRO A 30 -7.321 1.032 -12.381 1.00 0.00 C ATOM 464 CD PRO A 30 -7.441 2.527 -12.377 1.00 0.00 C ATOM 0 HA PRO A 30 -6.521 2.195 -9.466 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.185 -0.210 -11.056 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.701 0.355 -10.384 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.611 0.701 -13.139 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.278 0.566 -12.615 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.287 2.949 -13.370 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.425 2.854 -12.040 1.00 0.00 H new ATOM 472 N GLU A 31 -3.918 1.239 -11.231 1.00 0.00 N ATOM 473 CA GLU A 31 -2.510 0.894 -11.057 1.00 0.00 C ATOM 474 C GLU A 31 -1.723 2.075 -10.506 1.00 0.00 C ATOM 475 O GLU A 31 -0.889 1.905 -9.623 1.00 0.00 O ATOM 476 CB GLU A 31 -1.873 0.403 -12.358 1.00 0.00 C ATOM 477 CG GLU A 31 -2.280 -1.006 -12.751 1.00 0.00 C ATOM 478 CD GLU A 31 -1.225 -1.691 -13.597 1.00 0.00 C ATOM 479 OE1 GLU A 31 -1.034 -1.284 -14.763 1.00 0.00 O ATOM 480 OE2 GLU A 31 -0.568 -2.628 -13.092 1.00 0.00 O ATOM 0 H GLU A 31 -4.253 1.204 -12.194 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.473 0.076 -10.337 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.143 1.086 -13.163 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.788 0.442 -12.257 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.461 -1.595 -11.852 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.219 -0.971 -13.303 1.00 0.00 H new ATOM 487 N LEU A 32 -2.000 3.270 -11.018 1.00 0.00 N ATOM 488 CA LEU A 32 -1.358 4.480 -10.514 1.00 0.00 C ATOM 489 C LEU A 32 -1.662 4.650 -9.033 1.00 0.00 C ATOM 490 O LEU A 32 -0.766 4.878 -8.229 1.00 0.00 O ATOM 491 CB LEU A 32 -1.836 5.708 -11.293 1.00 0.00 C ATOM 492 CG LEU A 32 -1.188 7.036 -10.894 1.00 0.00 C ATOM 493 CD1 LEU A 32 0.324 6.956 -11.033 1.00 0.00 C ATOM 494 CD2 LEU A 32 -1.741 8.168 -11.741 1.00 0.00 C ATOM 0 H LEU A 32 -2.662 3.427 -11.778 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.281 4.384 -10.649 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.651 5.538 -12.354 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.915 5.798 -11.168 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.425 7.236 -9.849 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.767 7.909 -10.745 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.708 6.167 -10.386 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.583 6.734 -12.068 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.271 9.106 -11.446 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.531 7.972 -12.792 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.819 8.240 -11.594 1.00 0.00 H new ATOM 506 N THR A 33 -2.934 4.503 -8.695 1.00 0.00 N ATOM 507 CA THR A 33 -3.401 4.598 -7.319 1.00 0.00 C ATOM 508 C THR A 33 -2.607 3.673 -6.394 1.00 0.00 C ATOM 509 O THR A 33 -2.066 4.100 -5.372 1.00 0.00 O ATOM 510 CB THR A 33 -4.895 4.217 -7.248 1.00 0.00 C ATOM 511 OG1 THR A 33 -5.673 5.080 -8.089 1.00 0.00 O ATOM 512 CG2 THR A 33 -5.418 4.284 -5.826 1.00 0.00 C ATOM 0 H THR A 33 -3.675 4.314 -9.370 1.00 0.00 H new ATOM 0 HA THR A 33 -3.257 5.627 -6.989 1.00 0.00 H new ATOM 0 HB THR A 33 -4.988 3.189 -7.599 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.498 4.866 -9.029 1.00 0.00 H new ATOM 0 HG21 THR A 33 -6.473 4.010 -5.813 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.856 3.593 -5.198 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.302 5.298 -5.443 1.00 0.00 H new ATOM 520 N LEU A 34 -2.523 2.412 -6.784 1.00 0.00 N ATOM 521 CA LEU A 34 -1.896 1.399 -5.958 1.00 0.00 C ATOM 522 C LEU A 34 -0.373 1.548 -5.980 1.00 0.00 C ATOM 523 O LEU A 34 0.302 1.270 -4.988 1.00 0.00 O ATOM 524 CB LEU A 34 -2.339 0.013 -6.438 1.00 0.00 C ATOM 525 CG LEU A 34 -2.002 -1.143 -5.501 1.00 0.00 C ATOM 526 CD1 LEU A 34 -3.131 -2.161 -5.489 1.00 0.00 C ATOM 527 CD2 LEU A 34 -0.706 -1.809 -5.927 1.00 0.00 C ATOM 0 H LEU A 34 -2.884 2.066 -7.673 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.212 1.524 -4.922 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.418 0.029 -6.594 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.879 -0.181 -7.407 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.877 -0.745 -4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.876 -2.980 -4.816 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.049 -1.683 -5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.279 -2.552 -6.496 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.479 -2.632 -5.249 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.811 -2.194 -6.941 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.104 -1.081 -5.897 1.00 0.00 H new ATOM 539 N MET A 35 0.165 2.009 -7.104 1.00 0.00 N ATOM 540 CA MET A 35 1.597 2.251 -7.217 1.00 0.00 C ATOM 541 C MET A 35 2.002 3.468 -6.385 1.00 0.00 C ATOM 542 O MET A 35 3.118 3.535 -5.869 1.00 0.00 O ATOM 543 CB MET A 35 2.002 2.420 -8.685 1.00 0.00 C ATOM 544 CG MET A 35 3.494 2.612 -8.896 1.00 0.00 C ATOM 545 SD MET A 35 3.990 2.395 -10.619 1.00 0.00 S ATOM 546 CE MET A 35 2.924 3.571 -11.448 1.00 0.00 C ATOM 0 H MET A 35 -0.368 2.222 -7.947 1.00 0.00 H new ATOM 0 HA MET A 35 2.128 1.384 -6.823 1.00 0.00 H new ATOM 0 HB2 MET A 35 1.676 1.543 -9.244 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.473 3.278 -9.101 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.778 3.611 -8.564 1.00 0.00 H new ATOM 0 HG3 MET A 35 4.039 1.902 -8.274 1.00 0.00 H new ATOM 0 HE1 MET A 35 3.249 3.691 -12.482 1.00 0.00 H new ATOM 0 HE2 MET A 35 1.897 3.207 -11.430 1.00 0.00 H new ATOM 0 HE3 MET A 35 2.977 4.533 -10.938 1.00 0.00 H new ATOM 556 N ILE A 36 1.091 4.427 -6.247 1.00 0.00 N ATOM 557 CA ILE A 36 1.303 5.542 -5.334 1.00 0.00 C ATOM 558 C ILE A 36 1.455 5.007 -3.915 1.00 0.00 C ATOM 559 O ILE A 36 2.384 5.375 -3.197 1.00 0.00 O ATOM 560 CB ILE A 36 0.145 6.572 -5.381 1.00 0.00 C ATOM 561 CG1 ILE A 36 0.110 7.294 -6.733 1.00 0.00 C ATOM 562 CG2 ILE A 36 0.264 7.583 -4.246 1.00 0.00 C ATOM 563 CD1 ILE A 36 1.410 7.974 -7.103 1.00 0.00 C ATOM 0 H ILE A 36 0.205 4.454 -6.752 1.00 0.00 H new ATOM 0 HA ILE A 36 2.210 6.059 -5.647 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.789 6.025 -5.256 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.146 6.574 -7.511 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.685 8.039 -6.715 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.561 8.293 -4.303 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.228 7.062 -3.289 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.210 8.118 -4.333 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.303 8.461 -8.072 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.659 8.719 -6.348 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.207 7.232 -7.156 1.00 0.00 H new ATOM 575 N ALA A 37 0.552 4.105 -3.534 1.00 0.00 N ATOM 576 CA ALA A 37 0.608 3.467 -2.223 1.00 0.00 C ATOM 577 C ALA A 37 1.925 2.719 -2.034 1.00 0.00 C ATOM 578 O ALA A 37 2.521 2.754 -0.955 1.00 0.00 O ATOM 579 CB ALA A 37 -0.570 2.523 -2.041 1.00 0.00 C ATOM 0 H ALA A 37 -0.228 3.800 -4.117 1.00 0.00 H new ATOM 0 HA ALA A 37 0.550 4.247 -1.464 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.513 2.055 -1.058 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.501 3.083 -2.123 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.541 1.753 -2.811 1.00 0.00 H new ATOM 585 N GLY A 38 2.376 2.050 -3.091 1.00 0.00 N ATOM 586 CA GLY A 38 3.643 1.347 -3.041 1.00 0.00 C ATOM 587 C GLY A 38 4.808 2.277 -2.783 1.00 0.00 C ATOM 588 O GLY A 38 5.657 1.994 -1.936 1.00 0.00 O ATOM 0 H GLY A 38 1.885 1.983 -3.982 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.605 0.590 -2.257 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.802 0.822 -3.983 1.00 0.00 H new ATOM 592 N ASN A 39 4.843 3.390 -3.503 1.00 0.00 N ATOM 593 CA ASN A 39 5.886 4.394 -3.313 1.00 0.00 C ATOM 594 C ASN A 39 5.849 4.952 -1.897 1.00 0.00 C ATOM 595 O ASN A 39 6.894 5.196 -1.290 1.00 0.00 O ATOM 596 CB ASN A 39 5.748 5.528 -4.333 1.00 0.00 C ATOM 597 CG ASN A 39 6.370 5.188 -5.676 1.00 0.00 C ATOM 598 OD1 ASN A 39 7.543 5.468 -5.912 1.00 0.00 O ATOM 599 ND2 ASN A 39 5.595 4.582 -6.563 1.00 0.00 N ATOM 0 H ASN A 39 4.161 3.622 -4.225 1.00 0.00 H new ATOM 0 HA ASN A 39 6.849 3.907 -3.469 1.00 0.00 H new ATOM 0 HB2 ASN A 39 4.692 5.757 -4.474 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.219 6.427 -3.936 1.00 0.00 H new ATOM 0 HD21 ASN A 39 5.968 4.331 -7.479 1.00 0.00 H new ATOM 0 HD22 ASN A 39 4.626 4.366 -6.330 1.00 0.00 H new ATOM 606 N ILE A 40 4.642 5.142 -1.369 1.00 0.00 N ATOM 607 CA ILE A 40 4.474 5.590 0.008 1.00 0.00 C ATOM 608 C ILE A 40 5.123 4.601 0.972 1.00 0.00 C ATOM 609 O ILE A 40 5.986 4.976 1.768 1.00 0.00 O ATOM 610 CB ILE A 40 2.984 5.764 0.382 1.00 0.00 C ATOM 611 CG1 ILE A 40 2.340 6.852 -0.479 1.00 0.00 C ATOM 612 CG2 ILE A 40 2.843 6.108 1.857 1.00 0.00 C ATOM 613 CD1 ILE A 40 0.858 7.025 -0.231 1.00 0.00 C ATOM 0 H ILE A 40 3.769 4.993 -1.874 1.00 0.00 H new ATOM 0 HA ILE A 40 4.962 6.561 0.090 1.00 0.00 H new ATOM 0 HB ILE A 40 2.470 4.822 0.194 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.844 7.799 -0.289 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.498 6.612 -1.530 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.788 6.227 2.104 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.268 5.306 2.460 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.372 7.038 2.066 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.471 7.813 -0.877 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.341 6.090 -0.449 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.693 7.296 0.812 1.00 0.00 H new ATOM 625 N ALA A 41 4.722 3.335 0.876 1.00 0.00 N ATOM 626 CA ALA A 41 5.257 2.292 1.739 1.00 0.00 C ATOM 627 C ALA A 41 6.766 2.169 1.570 1.00 0.00 C ATOM 628 O ALA A 41 7.492 2.006 2.546 1.00 0.00 O ATOM 629 CB ALA A 41 4.579 0.963 1.447 1.00 0.00 C ATOM 0 H ALA A 41 4.026 3.009 0.206 1.00 0.00 H new ATOM 0 HA ALA A 41 5.053 2.567 2.774 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.990 0.194 2.100 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.507 1.055 1.624 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.753 0.687 0.407 1.00 0.00 H new ATOM 635 N THR A 42 7.227 2.262 0.326 1.00 0.00 N ATOM 636 CA THR A 42 8.653 2.206 0.026 1.00 0.00 C ATOM 637 C THR A 42 9.407 3.320 0.753 1.00 0.00 C ATOM 638 O THR A 42 10.406 3.068 1.426 1.00 0.00 O ATOM 639 CB THR A 42 8.904 2.321 -1.492 1.00 0.00 C ATOM 640 OG1 THR A 42 8.204 1.276 -2.179 1.00 0.00 O ATOM 641 CG2 THR A 42 10.388 2.234 -1.813 1.00 0.00 C ATOM 0 H THR A 42 6.630 2.377 -0.493 1.00 0.00 H new ATOM 0 HA THR A 42 9.022 1.241 0.373 1.00 0.00 H new ATOM 0 HB THR A 42 8.538 3.293 -1.823 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.283 1.560 -2.355 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.533 2.318 -2.890 1.00 0.00 H new ATOM 0 HG22 THR A 42 10.917 3.044 -1.311 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.779 1.277 -1.468 1.00 0.00 H new ATOM 649 N ASN A 43 8.906 4.547 0.632 1.00 0.00 N ATOM 650 CA ASN A 43 9.527 5.698 1.283 1.00 0.00 C ATOM 651 C ASN A 43 9.560 5.510 2.798 1.00 0.00 C ATOM 652 O ASN A 43 10.566 5.800 3.453 1.00 0.00 O ATOM 653 CB ASN A 43 8.779 6.985 0.927 1.00 0.00 C ATOM 654 CG ASN A 43 9.415 8.218 1.543 1.00 0.00 C ATOM 655 OD1 ASN A 43 10.624 8.264 1.767 1.00 0.00 O ATOM 656 ND2 ASN A 43 8.603 9.227 1.818 1.00 0.00 N ATOM 0 H ASN A 43 8.072 4.770 0.089 1.00 0.00 H new ATOM 0 HA ASN A 43 10.552 5.779 0.922 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.752 7.097 -0.157 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.746 6.906 1.265 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.974 10.083 2.231 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.606 9.149 1.617 1.00 0.00 H new ATOM 663 N VAL A 44 8.464 5.004 3.353 1.00 0.00 N ATOM 664 CA VAL A 44 8.405 4.706 4.775 1.00 0.00 C ATOM 665 C VAL A 44 9.450 3.654 5.133 1.00 0.00 C ATOM 666 O VAL A 44 10.190 3.809 6.103 1.00 0.00 O ATOM 667 CB VAL A 44 7.007 4.208 5.206 1.00 0.00 C ATOM 668 CG1 VAL A 44 6.978 3.897 6.698 1.00 0.00 C ATOM 669 CG2 VAL A 44 5.938 5.231 4.857 1.00 0.00 C ATOM 0 H VAL A 44 7.608 4.793 2.840 1.00 0.00 H new ATOM 0 HA VAL A 44 8.611 5.634 5.309 1.00 0.00 H new ATOM 0 HB VAL A 44 6.795 3.289 4.660 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.984 3.548 6.978 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.711 3.122 6.922 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.219 4.798 7.262 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.962 4.859 5.170 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.150 6.169 5.371 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.934 5.400 3.780 1.00 0.00 H new ATOM 679 N LEU A 45 9.531 2.608 4.317 1.00 0.00 N ATOM 680 CA LEU A 45 10.476 1.522 4.546 1.00 0.00 C ATOM 681 C LEU A 45 11.919 1.976 4.334 1.00 0.00 C ATOM 682 O LEU A 45 12.854 1.269 4.689 1.00 0.00 O ATOM 683 CB LEU A 45 10.170 0.331 3.633 1.00 0.00 C ATOM 684 CG LEU A 45 8.845 -0.384 3.908 1.00 0.00 C ATOM 685 CD1 LEU A 45 8.631 -1.506 2.905 1.00 0.00 C ATOM 686 CD2 LEU A 45 8.821 -0.930 5.327 1.00 0.00 C ATOM 0 H LEU A 45 8.950 2.490 3.487 1.00 0.00 H new ATOM 0 HA LEU A 45 10.363 1.214 5.585 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.168 0.678 2.600 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.980 -0.393 3.725 1.00 0.00 H new ATOM 0 HG LEU A 45 8.034 0.336 3.801 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.685 -2.005 3.114 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.609 -1.093 1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.446 -2.226 2.985 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.872 -1.435 5.506 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.640 -1.638 5.458 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.934 -0.109 6.035 1.00 0.00 H new ATOM 698 N ASN A 46 12.103 3.145 3.740 1.00 0.00 N ATOM 699 CA ASN A 46 13.448 3.670 3.524 1.00 0.00 C ATOM 700 C ASN A 46 13.859 4.648 4.620 1.00 0.00 C ATOM 701 O ASN A 46 14.879 4.453 5.279 1.00 0.00 O ATOM 702 CB ASN A 46 13.565 4.355 2.156 1.00 0.00 C ATOM 703 CG ASN A 46 13.752 3.379 1.001 1.00 0.00 C ATOM 704 OD1 ASN A 46 13.124 2.214 1.082 1.00 0.00 O flip ATOM 705 ND2 ASN A 46 14.449 3.682 0.035 1.00 0.00 N flip ATOM 0 H ASN A 46 11.350 3.744 3.402 1.00 0.00 H new ATOM 0 HA ASN A 46 14.124 2.815 3.553 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.668 4.949 1.978 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.407 5.047 2.176 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.917 4.588 0.008 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.559 3.028 -0.740 1.00 0.00 H new ATOM 712 N GLN A 47 13.062 5.693 4.823 1.00 0.00 N ATOM 713 CA GLN A 47 13.477 6.795 5.687 1.00 0.00 C ATOM 714 C GLN A 47 12.740 6.824 7.028 1.00 0.00 C ATOM 715 O GLN A 47 13.244 7.388 7.998 1.00 0.00 O ATOM 716 CB GLN A 47 13.269 8.134 4.970 1.00 0.00 C ATOM 717 CG GLN A 47 14.013 8.249 3.649 1.00 0.00 C ATOM 718 CD GLN A 47 13.874 9.622 3.019 1.00 0.00 C ATOM 719 OE1 GLN A 47 14.684 10.519 3.264 1.00 0.00 O ATOM 720 NE2 GLN A 47 12.843 9.803 2.210 1.00 0.00 N ATOM 0 H GLN A 47 12.137 5.801 4.407 1.00 0.00 H new ATOM 0 HA GLN A 47 14.533 6.633 5.902 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.204 8.276 4.789 1.00 0.00 H new ATOM 0 HB3 GLN A 47 13.591 8.941 5.628 1.00 0.00 H new ATOM 0 HG2 GLN A 47 15.069 8.033 3.811 1.00 0.00 H new ATOM 0 HG3 GLN A 47 13.636 7.496 2.957 1.00 0.00 H new ATOM 0 HE21 GLN A 47 12.194 9.037 2.032 1.00 0.00 H new ATOM 0 HE22 GLN A 47 12.697 10.709 1.765 1.00 0.00 H new ATOM 729 N ARG A 48 11.558 6.226 7.097 1.00 0.00 N ATOM 730 CA ARG A 48 10.708 6.400 8.276 1.00 0.00 C ATOM 731 C ARG A 48 10.785 5.225 9.251 1.00 0.00 C ATOM 732 O ARG A 48 10.784 5.424 10.465 1.00 0.00 O ATOM 733 CB ARG A 48 9.253 6.634 7.867 1.00 0.00 C ATOM 734 CG ARG A 48 9.015 7.966 7.174 1.00 0.00 C ATOM 735 CD ARG A 48 7.531 8.278 7.076 1.00 0.00 C ATOM 736 NE ARG A 48 7.281 9.633 6.581 1.00 0.00 N ATOM 737 CZ ARG A 48 6.449 10.500 7.166 1.00 0.00 C ATOM 738 NH1 ARG A 48 5.861 10.189 8.315 1.00 0.00 N ATOM 739 NH2 ARG A 48 6.237 11.691 6.623 1.00 0.00 N ATOM 0 H ARG A 48 11.168 5.627 6.369 1.00 0.00 H new ATOM 0 HA ARG A 48 11.091 7.278 8.796 1.00 0.00 H new ATOM 0 HB2 ARG A 48 8.938 5.829 7.203 1.00 0.00 H new ATOM 0 HB3 ARG A 48 8.623 6.580 8.755 1.00 0.00 H new ATOM 0 HG2 ARG A 48 9.521 8.760 7.724 1.00 0.00 H new ATOM 0 HG3 ARG A 48 9.451 7.942 6.175 1.00 0.00 H new ATOM 0 HD2 ARG A 48 7.053 7.557 6.413 1.00 0.00 H new ATOM 0 HD3 ARG A 48 7.072 8.161 8.058 1.00 0.00 H new ATOM 0 HE ARG A 48 7.772 9.933 5.739 1.00 0.00 H new ATOM 0 HH11 ARG A 48 6.044 9.286 8.754 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.226 10.853 8.759 1.00 0.00 H new ATOM 0 HH21 ARG A 48 6.710 11.948 5.756 1.00 0.00 H new ATOM 0 HH22 ARG A 48 5.601 12.350 7.072 1.00 0.00 H new ATOM 753 N VAL A 49 10.838 4.010 8.730 1.00 0.00 N ATOM 754 CA VAL A 49 10.815 2.823 9.577 1.00 0.00 C ATOM 755 C VAL A 49 12.227 2.455 10.039 1.00 0.00 C ATOM 756 O VAL A 49 13.218 2.942 9.490 1.00 0.00 O ATOM 757 CB VAL A 49 10.182 1.623 8.834 1.00 0.00 C ATOM 758 CG1 VAL A 49 11.160 1.021 7.842 1.00 0.00 C ATOM 759 CG2 VAL A 49 9.689 0.566 9.809 1.00 0.00 C ATOM 0 H VAL A 49 10.897 3.817 7.730 1.00 0.00 H new ATOM 0 HA VAL A 49 10.206 3.056 10.451 1.00 0.00 H new ATOM 0 HB VAL A 49 9.320 1.997 8.281 1.00 0.00 H new ATOM 0 HG11 VAL A 49 10.690 0.179 7.333 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.445 1.775 7.109 1.00 0.00 H new ATOM 0 HG13 VAL A 49 12.048 0.675 8.371 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.250 -0.264 9.255 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.526 0.202 10.405 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.937 1.001 10.468 1.00 0.00 H new ATOM 769 N ALA A 50 12.311 1.599 11.045 1.00 0.00 N ATOM 770 CA ALA A 50 13.594 1.124 11.538 1.00 0.00 C ATOM 771 C ALA A 50 14.070 -0.048 10.690 1.00 0.00 C ATOM 772 O ALA A 50 13.259 -0.728 10.073 1.00 0.00 O ATOM 773 CB ALA A 50 13.484 0.719 12.998 1.00 0.00 C ATOM 0 H ALA A 50 11.503 1.218 11.537 1.00 0.00 H new ATOM 0 HA ALA A 50 14.324 1.930 11.464 1.00 0.00 H new ATOM 0 HB1 ALA A 50 14.453 0.366 13.352 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.172 1.578 13.592 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.748 -0.078 13.100 1.00 0.00 H new ATOM 779 N ALA A 51 15.378 -0.263 10.635 1.00 0.00 N ATOM 780 CA ALA A 51 15.943 -1.378 9.879 1.00 0.00 C ATOM 781 C ALA A 51 15.484 -2.720 10.442 1.00 0.00 C ATOM 782 O ALA A 51 15.018 -3.586 9.700 1.00 0.00 O ATOM 783 CB ALA A 51 17.462 -1.297 9.869 1.00 0.00 C ATOM 0 H ALA A 51 16.070 0.320 11.105 1.00 0.00 H new ATOM 0 HA ALA A 51 15.581 -1.305 8.854 1.00 0.00 H new ATOM 0 HB1 ALA A 51 17.867 -2.135 9.302 1.00 0.00 H new ATOM 0 HB2 ALA A 51 17.773 -0.361 9.406 1.00 0.00 H new ATOM 0 HB3 ALA A 51 17.835 -1.337 10.892 1.00 0.00 H new ATOM 789 N SER A 52 15.610 -2.890 11.752 1.00 0.00 N ATOM 790 CA SER A 52 15.185 -4.123 12.405 1.00 0.00 C ATOM 791 C SER A 52 13.669 -4.292 12.310 1.00 0.00 C ATOM 792 O SER A 52 13.157 -5.403 12.194 1.00 0.00 O ATOM 793 CB SER A 52 15.613 -4.110 13.871 1.00 0.00 C ATOM 794 OG SER A 52 17.003 -3.877 13.993 1.00 0.00 O ATOM 0 H SER A 52 16.002 -2.191 12.383 1.00 0.00 H new ATOM 0 HA SER A 52 15.660 -4.962 11.897 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.063 -3.337 14.407 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.358 -5.062 14.336 1.00 0.00 H new ATOM 0 HG SER A 52 17.252 -3.872 14.941 1.00 0.00 H new ATOM 800 N GLN A 53 12.962 -3.173 12.329 1.00 0.00 N ATOM 801 CA GLN A 53 11.507 -3.184 12.313 1.00 0.00 C ATOM 802 C GLN A 53 10.989 -3.270 10.878 1.00 0.00 C ATOM 803 O GLN A 53 9.793 -3.438 10.647 1.00 0.00 O ATOM 804 CB GLN A 53 10.983 -1.903 12.971 1.00 0.00 C ATOM 805 CG GLN A 53 9.570 -2.020 13.522 1.00 0.00 C ATOM 806 CD GLN A 53 9.469 -3.002 14.673 1.00 0.00 C ATOM 807 OE1 GLN A 53 9.191 -4.256 14.356 1.00 0.00 O flip ATOM 808 NE2 GLN A 53 9.635 -2.635 15.835 1.00 0.00 N flip ATOM 0 H GLN A 53 13.375 -2.241 12.356 1.00 0.00 H new ATOM 0 HA GLN A 53 11.154 -4.055 12.865 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.655 -1.623 13.782 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.011 -1.095 12.240 1.00 0.00 H new ATOM 0 HG2 GLN A 53 9.233 -1.039 13.856 1.00 0.00 H new ATOM 0 HG3 GLN A 53 8.898 -2.333 12.723 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.848 -1.658 16.036 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.560 -3.308 16.598 1.00 0.00 H new ATOM 817 N ARG A 54 11.912 -3.188 9.929 1.00 0.00 N ATOM 818 CA ARG A 54 11.583 -2.991 8.520 1.00 0.00 C ATOM 819 C ARG A 54 10.871 -4.197 7.922 1.00 0.00 C ATOM 820 O ARG A 54 9.739 -4.084 7.460 1.00 0.00 O ATOM 821 CB ARG A 54 12.866 -2.695 7.747 1.00 0.00 C ATOM 822 CG ARG A 54 12.660 -2.012 6.409 1.00 0.00 C ATOM 823 CD ARG A 54 13.884 -1.189 6.043 1.00 0.00 C ATOM 824 NE ARG A 54 14.157 -0.159 7.049 1.00 0.00 N ATOM 825 CZ ARG A 54 15.141 0.734 6.965 1.00 0.00 C ATOM 826 NH1 ARG A 54 15.958 0.742 5.920 1.00 0.00 N ATOM 827 NH2 ARG A 54 15.300 1.634 7.926 1.00 0.00 N ATOM 0 H ARG A 54 12.913 -3.256 10.113 1.00 0.00 H new ATOM 0 HA ARG A 54 10.896 -2.148 8.444 1.00 0.00 H new ATOM 0 HB2 ARG A 54 13.509 -2.067 8.364 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.399 -3.632 7.583 1.00 0.00 H new ATOM 0 HG2 ARG A 54 12.471 -2.758 5.637 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.781 -1.369 6.453 1.00 0.00 H new ATOM 0 HD2 ARG A 54 14.750 -1.845 5.947 1.00 0.00 H new ATOM 0 HD3 ARG A 54 13.731 -0.719 5.071 1.00 0.00 H new ATOM 0 HE ARG A 54 13.552 -0.124 7.869 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.835 0.060 5.172 1.00 0.00 H new ATOM 0 HH12 ARG A 54 16.709 1.430 5.865 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.669 1.641 8.727 1.00 0.00 H new ATOM 0 HH22 ARG A 54 16.053 2.319 7.864 1.00 0.00 H new ATOM 841 N LYS A 55 11.530 -5.351 7.938 1.00 0.00 N ATOM 842 CA LYS A 55 10.962 -6.554 7.337 1.00 0.00 C ATOM 843 C LYS A 55 9.671 -6.958 8.044 1.00 0.00 C ATOM 844 O LYS A 55 8.712 -7.374 7.400 1.00 0.00 O ATOM 845 CB LYS A 55 11.982 -7.701 7.362 1.00 0.00 C ATOM 846 CG LYS A 55 11.474 -9.003 6.751 1.00 0.00 C ATOM 847 CD LYS A 55 10.928 -8.803 5.344 1.00 0.00 C ATOM 848 CE LYS A 55 10.583 -10.134 4.691 1.00 0.00 C ATOM 849 NZ LYS A 55 9.782 -9.965 3.449 1.00 0.00 N ATOM 0 H LYS A 55 12.451 -5.479 8.357 1.00 0.00 H new ATOM 0 HA LYS A 55 10.720 -6.335 6.297 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.878 -7.387 6.827 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.276 -7.888 8.395 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.285 -9.731 6.724 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.693 -9.420 7.386 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.039 -8.173 5.382 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.665 -8.278 4.737 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.503 -10.670 4.457 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.027 -10.749 5.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.222 -10.503 2.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.816 -10.316 3.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.747 -8.958 3.193 1.00 0.00 H new ATOM 863 N LEU A 56 9.639 -6.805 9.361 1.00 0.00 N ATOM 864 CA LEU A 56 8.452 -7.148 10.136 1.00 0.00 C ATOM 865 C LEU A 56 7.293 -6.239 9.735 1.00 0.00 C ATOM 866 O LEU A 56 6.205 -6.710 9.415 1.00 0.00 O ATOM 867 CB LEU A 56 8.737 -7.017 11.639 1.00 0.00 C ATOM 868 CG LEU A 56 7.856 -7.867 12.574 1.00 0.00 C ATOM 869 CD1 LEU A 56 8.287 -7.678 14.013 1.00 0.00 C ATOM 870 CD2 LEU A 56 6.379 -7.526 12.434 1.00 0.00 C ATOM 0 H LEU A 56 10.418 -6.447 9.914 1.00 0.00 H new ATOM 0 HA LEU A 56 8.181 -8.183 9.927 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.779 -7.283 11.815 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.624 -5.970 11.919 1.00 0.00 H new ATOM 0 HG LEU A 56 7.987 -8.909 12.283 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.657 -8.284 14.664 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.327 -7.986 14.125 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.188 -6.628 14.287 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.796 -8.149 13.112 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.223 -6.476 12.682 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.059 -7.708 11.408 1.00 0.00 H new ATOM 882 N ILE A 57 7.542 -4.935 9.738 1.00 0.00 N ATOM 883 CA ILE A 57 6.515 -3.955 9.414 1.00 0.00 C ATOM 884 C ILE A 57 6.049 -4.102 7.963 1.00 0.00 C ATOM 885 O ILE A 57 4.881 -3.865 7.651 1.00 0.00 O ATOM 886 CB ILE A 57 7.009 -2.514 9.723 1.00 0.00 C ATOM 887 CG1 ILE A 57 6.316 -1.995 10.988 1.00 0.00 C ATOM 888 CG2 ILE A 57 6.798 -1.558 8.553 1.00 0.00 C ATOM 889 CD1 ILE A 57 6.753 -0.608 11.408 1.00 0.00 C ATOM 0 H ILE A 57 8.451 -4.531 9.963 1.00 0.00 H new ATOM 0 HA ILE A 57 5.649 -4.145 10.048 1.00 0.00 H new ATOM 0 HB ILE A 57 8.085 -2.559 9.889 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.239 -1.990 10.823 1.00 0.00 H new ATOM 0 HG13 ILE A 57 6.510 -2.689 11.806 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.161 -0.566 8.823 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.347 -1.920 7.684 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.736 -1.503 8.315 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.216 -0.315 12.310 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.825 -0.609 11.607 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.533 0.100 10.609 1.00 0.00 H new ATOM 901 N ALA A 58 6.955 -4.532 7.092 1.00 0.00 N ATOM 902 CA ALA A 58 6.616 -4.793 5.701 1.00 0.00 C ATOM 903 C ALA A 58 5.701 -6.012 5.585 1.00 0.00 C ATOM 904 O ALA A 58 4.691 -5.975 4.880 1.00 0.00 O ATOM 905 CB ALA A 58 7.877 -4.985 4.875 1.00 0.00 C ATOM 0 H ALA A 58 7.932 -4.707 7.327 1.00 0.00 H new ATOM 0 HA ALA A 58 6.078 -3.929 5.311 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.606 -5.179 3.837 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.487 -4.084 4.928 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.443 -5.830 5.266 1.00 0.00 H new ATOM 911 N GLU A 59 6.051 -7.087 6.290 1.00 0.00 N ATOM 912 CA GLU A 59 5.216 -8.286 6.324 1.00 0.00 C ATOM 913 C GLU A 59 3.870 -7.967 6.957 1.00 0.00 C ATOM 914 O GLU A 59 2.825 -8.399 6.473 1.00 0.00 O ATOM 915 CB GLU A 59 5.903 -9.401 7.116 1.00 0.00 C ATOM 916 CG GLU A 59 7.193 -9.900 6.492 1.00 0.00 C ATOM 917 CD GLU A 59 6.984 -10.532 5.132 1.00 0.00 C ATOM 918 OE1 GLU A 59 6.601 -11.720 5.076 1.00 0.00 O ATOM 919 OE2 GLU A 59 7.232 -9.860 4.111 1.00 0.00 O ATOM 0 H GLU A 59 6.905 -7.152 6.844 1.00 0.00 H new ATOM 0 HA GLU A 59 5.064 -8.625 5.299 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.115 -9.040 8.122 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.213 -10.239 7.217 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.890 -9.068 6.397 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.655 -10.628 7.158 1.00 0.00 H new ATOM 926 N LYS A 60 3.915 -7.202 8.042 1.00 0.00 N ATOM 927 CA LYS A 60 2.714 -6.752 8.733 1.00 0.00 C ATOM 928 C LYS A 60 1.782 -6.044 7.758 1.00 0.00 C ATOM 929 O LYS A 60 0.579 -6.297 7.731 1.00 0.00 O ATOM 930 CB LYS A 60 3.100 -5.800 9.871 1.00 0.00 C ATOM 931 CG LYS A 60 1.925 -5.339 10.716 1.00 0.00 C ATOM 932 CD LYS A 60 2.323 -4.240 11.691 1.00 0.00 C ATOM 933 CE LYS A 60 2.650 -2.938 10.970 1.00 0.00 C ATOM 934 NZ LYS A 60 2.664 -1.780 11.903 1.00 0.00 N ATOM 0 H LYS A 60 4.784 -6.877 8.466 1.00 0.00 H new ATOM 0 HA LYS A 60 2.197 -7.617 9.147 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.825 -6.296 10.516 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.595 -4.926 9.448 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.130 -4.976 10.065 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.521 -6.187 11.270 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.512 -4.070 12.399 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.188 -4.563 12.270 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.622 -3.025 10.484 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.915 -2.763 10.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.972 -0.927 11.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.708 -1.629 12.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.321 -1.973 12.685 1.00 0.00 H new ATOM 948 N PHE A 61 2.361 -5.166 6.953 1.00 0.00 N ATOM 949 CA PHE A 61 1.613 -4.412 5.959 1.00 0.00 C ATOM 950 C PHE A 61 1.001 -5.338 4.914 1.00 0.00 C ATOM 951 O PHE A 61 -0.188 -5.239 4.606 1.00 0.00 O ATOM 952 CB PHE A 61 2.534 -3.393 5.289 1.00 0.00 C ATOM 953 CG PHE A 61 1.890 -2.634 4.166 1.00 0.00 C ATOM 954 CD1 PHE A 61 0.829 -1.777 4.406 1.00 0.00 C ATOM 955 CD2 PHE A 61 2.352 -2.774 2.868 1.00 0.00 C ATOM 956 CE1 PHE A 61 0.243 -1.076 3.374 1.00 0.00 C ATOM 957 CE2 PHE A 61 1.767 -2.076 1.833 1.00 0.00 C ATOM 958 CZ PHE A 61 0.711 -1.226 2.085 1.00 0.00 C ATOM 0 H PHE A 61 3.359 -4.957 6.970 1.00 0.00 H new ATOM 0 HA PHE A 61 0.798 -3.889 6.461 1.00 0.00 H new ATOM 0 HB2 PHE A 61 2.882 -2.684 6.040 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.414 -3.910 4.907 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.457 -1.657 5.413 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.180 -3.437 2.664 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.583 -0.409 3.575 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.136 -2.195 0.825 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.251 -0.679 1.275 1.00 0.00 H new ATOM 968 N ALA A 62 1.809 -6.245 4.383 1.00 0.00 N ATOM 969 CA ALA A 62 1.350 -7.161 3.348 1.00 0.00 C ATOM 970 C ALA A 62 0.233 -8.066 3.860 1.00 0.00 C ATOM 971 O ALA A 62 -0.775 -8.259 3.180 1.00 0.00 O ATOM 972 CB ALA A 62 2.512 -7.992 2.827 1.00 0.00 C ATOM 0 H ALA A 62 2.785 -6.366 4.652 1.00 0.00 H new ATOM 0 HA ALA A 62 0.946 -6.567 2.529 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.155 -8.672 2.054 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.272 -7.332 2.407 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.944 -8.568 3.646 1.00 0.00 H new ATOM 978 N GLN A 63 0.406 -8.604 5.061 1.00 0.00 N ATOM 979 CA GLN A 63 -0.592 -9.490 5.649 1.00 0.00 C ATOM 980 C GLN A 63 -1.884 -8.738 5.953 1.00 0.00 C ATOM 981 O GLN A 63 -2.980 -9.268 5.756 1.00 0.00 O ATOM 982 CB GLN A 63 -0.044 -10.145 6.919 1.00 0.00 C ATOM 983 CG GLN A 63 1.085 -11.129 6.654 1.00 0.00 C ATOM 984 CD GLN A 63 0.640 -12.315 5.821 1.00 0.00 C ATOM 985 OE1 GLN A 63 0.704 -12.289 4.591 1.00 0.00 O ATOM 986 NE2 GLN A 63 0.177 -13.361 6.485 1.00 0.00 N ATOM 0 H GLN A 63 1.226 -8.443 5.646 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.819 -10.270 4.923 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.313 -9.368 7.594 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.855 -10.664 7.430 1.00 0.00 H new ATOM 0 HG2 GLN A 63 1.898 -10.614 6.142 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.482 -11.486 7.604 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.141 -13.343 7.504 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.144 -14.186 5.978 1.00 0.00 H new ATOM 995 N ALA A 64 -1.756 -7.501 6.416 1.00 0.00 N ATOM 996 CA ALA A 64 -2.921 -6.663 6.672 1.00 0.00 C ATOM 997 C ALA A 64 -3.629 -6.328 5.365 1.00 0.00 C ATOM 998 O ALA A 64 -4.848 -6.172 5.324 1.00 0.00 O ATOM 999 CB ALA A 64 -2.517 -5.391 7.400 1.00 0.00 C ATOM 0 H ALA A 64 -0.861 -7.057 6.621 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.611 -7.216 7.309 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.401 -4.779 7.582 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.052 -5.648 8.352 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.808 -4.832 6.789 1.00 0.00 H new ATOM 1005 N LEU A 65 -2.857 -6.234 4.292 1.00 0.00 N ATOM 1006 CA LEU A 65 -3.410 -5.939 2.980 1.00 0.00 C ATOM 1007 C LEU A 65 -4.117 -7.164 2.406 1.00 0.00 C ATOM 1008 O LEU A 65 -5.158 -7.043 1.763 1.00 0.00 O ATOM 1009 CB LEU A 65 -2.310 -5.468 2.029 1.00 0.00 C ATOM 1010 CG LEU A 65 -2.804 -4.926 0.686 1.00 0.00 C ATOM 1011 CD1 LEU A 65 -3.720 -3.735 0.906 1.00 0.00 C ATOM 1012 CD2 LEU A 65 -1.627 -4.542 -0.199 1.00 0.00 C ATOM 0 H LEU A 65 -1.845 -6.358 4.305 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.141 -5.138 3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.729 -4.691 2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.632 -6.301 1.841 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.369 -5.709 0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.065 -3.358 -0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.578 -4.042 1.504 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.175 -2.949 1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.997 -4.159 -1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.035 -3.773 0.297 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.005 -5.419 -0.379 1.00 0.00 H new ATOM 1024 N MET A 66 -3.554 -8.343 2.653 1.00 0.00 N ATOM 1025 CA MET A 66 -4.142 -9.590 2.168 1.00 0.00 C ATOM 1026 C MET A 66 -5.488 -9.842 2.832 1.00 0.00 C ATOM 1027 O MET A 66 -6.415 -10.350 2.208 1.00 0.00 O ATOM 1028 CB MET A 66 -3.218 -10.783 2.443 1.00 0.00 C ATOM 1029 CG MET A 66 -1.886 -10.755 1.702 1.00 0.00 C ATOM 1030 SD MET A 66 -2.056 -10.838 -0.094 1.00 0.00 S ATOM 1031 CE MET A 66 -2.308 -9.115 -0.511 1.00 0.00 C ATOM 0 H MET A 66 -2.692 -8.462 3.185 1.00 0.00 H new ATOM 0 HA MET A 66 -4.279 -9.488 1.091 1.00 0.00 H new ATOM 0 HB2 MET A 66 -3.019 -10.829 3.514 1.00 0.00 H new ATOM 0 HB3 MET A 66 -3.745 -11.699 2.177 1.00 0.00 H new ATOM 0 HG2 MET A 66 -1.352 -9.842 1.966 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.274 -11.591 2.040 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.257 -9.003 -1.036 1.00 0.00 H new ATOM 0 HE2 MET A 66 -2.325 -8.519 0.401 1.00 0.00 H new ATOM 0 HE3 MET A 66 -1.496 -8.773 -1.152 1.00 0.00 H new ATOM 1041 N SER A 67 -5.588 -9.477 4.100 1.00 0.00 N ATOM 1042 CA SER A 67 -6.814 -9.677 4.856 1.00 0.00 C ATOM 1043 C SER A 67 -7.841 -8.588 4.542 1.00 0.00 C ATOM 1044 O SER A 67 -9.049 -8.800 4.681 1.00 0.00 O ATOM 1045 CB SER A 67 -6.495 -9.720 6.348 1.00 0.00 C ATOM 1046 OG SER A 67 -5.572 -8.702 6.699 1.00 0.00 O ATOM 0 H SER A 67 -4.833 -9.040 4.628 1.00 0.00 H new ATOM 0 HA SER A 67 -7.255 -10.630 4.563 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.413 -9.598 6.924 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.083 -10.695 6.608 1.00 0.00 H new ATOM 0 HG SER A 67 -4.662 -8.997 6.485 1.00 0.00 H new ATOM 1052 N SER A 68 -7.357 -7.429 4.114 1.00 0.00 N ATOM 1053 CA SER A 68 -8.233 -6.346 3.684 1.00 0.00 C ATOM 1054 C SER A 68 -8.650 -6.551 2.229 1.00 0.00 C ATOM 1055 O SER A 68 -9.573 -5.901 1.731 1.00 0.00 O ATOM 1056 CB SER A 68 -7.530 -5.001 3.858 1.00 0.00 C ATOM 1057 OG SER A 68 -7.144 -4.808 5.209 1.00 0.00 O ATOM 0 H SER A 68 -6.362 -7.214 4.055 1.00 0.00 H new ATOM 0 HA SER A 68 -9.130 -6.350 4.303 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.652 -4.958 3.214 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.194 -4.195 3.546 1.00 0.00 H new ATOM 0 HG SER A 68 -6.240 -5.162 5.345 1.00 0.00 H new ATOM 1063 N LEU A 69 -7.953 -7.456 1.554 1.00 0.00 N ATOM 1064 CA LEU A 69 -8.317 -7.870 0.209 1.00 0.00 C ATOM 1065 C LEU A 69 -9.580 -8.718 0.294 1.00 0.00 C ATOM 1066 O LEU A 69 -9.528 -9.914 0.598 1.00 0.00 O ATOM 1067 CB LEU A 69 -7.153 -8.657 -0.422 1.00 0.00 C ATOM 1068 CG LEU A 69 -7.208 -8.860 -1.942 1.00 0.00 C ATOM 1069 CD1 LEU A 69 -5.842 -9.272 -2.465 1.00 0.00 C ATOM 1070 CD2 LEU A 69 -8.239 -9.910 -2.327 1.00 0.00 C ATOM 0 H LEU A 69 -7.123 -7.921 1.923 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.513 -7.004 -0.423 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.223 -8.143 -0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.108 -9.638 0.052 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.502 -7.912 -2.392 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.893 -9.413 -3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.114 -8.494 -2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.537 -10.205 -1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.251 -10.028 -3.411 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.981 -10.861 -1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.225 -9.594 -1.985 1.00 0.00 H new ATOM 1440 N THR B 8 2.622 9.237 -16.950 1.00 0.00 N ATOM 1441 CA THR B 8 3.675 10.240 -16.985 1.00 0.00 C ATOM 1442 C THR B 8 4.516 10.170 -15.709 1.00 0.00 C ATOM 1443 O THR B 8 3.990 10.298 -14.602 1.00 0.00 O ATOM 1444 CB THR B 8 3.083 11.653 -17.137 1.00 0.00 C ATOM 1445 OG1 THR B 8 2.099 11.659 -18.180 1.00 0.00 O ATOM 1446 CG2 THR B 8 4.171 12.667 -17.457 1.00 0.00 C ATOM 0 HA THR B 8 4.309 10.033 -17.847 1.00 0.00 H new ATOM 0 HB THR B 8 2.617 11.931 -16.192 1.00 0.00 H new ATOM 0 HG1 THR B 8 1.793 10.743 -18.346 1.00 0.00 H new ATOM 0 HG21 THR B 8 3.727 13.657 -17.559 1.00 0.00 H new ATOM 0 HG22 THR B 8 4.905 12.680 -16.651 1.00 0.00 H new ATOM 0 HG23 THR B 8 4.662 12.391 -18.390 1.00 0.00 H new ATOM 1454 N ASP B 9 5.816 9.963 -15.878 1.00 0.00 N ATOM 1455 CA ASP B 9 6.738 9.771 -14.758 1.00 0.00 C ATOM 1456 C ASP B 9 6.768 10.988 -13.834 1.00 0.00 C ATOM 1457 O ASP B 9 6.658 10.855 -12.614 1.00 0.00 O ATOM 1458 CB ASP B 9 8.151 9.444 -15.277 1.00 0.00 C ATOM 1459 CG ASP B 9 8.751 10.517 -16.181 1.00 0.00 C ATOM 1460 OD1 ASP B 9 7.988 11.287 -16.809 1.00 0.00 O ATOM 1461 OD2 ASP B 9 9.994 10.576 -16.282 1.00 0.00 O ATOM 0 H ASP B 9 6.264 9.923 -16.794 1.00 0.00 H new ATOM 0 HA ASP B 9 6.376 8.927 -14.171 1.00 0.00 H new ATOM 0 HB2 ASP B 9 8.813 9.292 -14.424 1.00 0.00 H new ATOM 0 HB3 ASP B 9 8.115 8.502 -15.825 1.00 0.00 H new ATOM 1466 N GLU B 10 6.903 12.168 -14.422 1.00 0.00 N ATOM 1467 CA GLU B 10 6.916 13.406 -13.657 1.00 0.00 C ATOM 1468 C GLU B 10 5.575 13.612 -12.953 1.00 0.00 C ATOM 1469 O GLU B 10 5.519 14.158 -11.853 1.00 0.00 O ATOM 1470 CB GLU B 10 7.222 14.591 -14.573 1.00 0.00 C ATOM 1471 CG GLU B 10 7.350 15.916 -13.841 1.00 0.00 C ATOM 1472 CD GLU B 10 7.587 17.071 -14.786 1.00 0.00 C ATOM 1473 OE1 GLU B 10 6.615 17.545 -15.403 1.00 0.00 O ATOM 1474 OE2 GLU B 10 8.747 17.515 -14.916 1.00 0.00 O ATOM 0 H GLU B 10 7.005 12.294 -15.429 1.00 0.00 H new ATOM 0 HA GLU B 10 7.698 13.338 -12.900 1.00 0.00 H new ATOM 0 HB2 GLU B 10 8.149 14.393 -15.110 1.00 0.00 H new ATOM 0 HB3 GLU B 10 6.432 14.674 -15.320 1.00 0.00 H new ATOM 0 HG2 GLU B 10 6.443 16.100 -13.266 1.00 0.00 H new ATOM 0 HG3 GLU B 10 8.173 15.857 -13.129 1.00 0.00 H new ATOM 1481 N GLN B 11 4.503 13.155 -13.595 1.00 0.00 N ATOM 1482 CA GLN B 11 3.165 13.248 -13.026 1.00 0.00 C ATOM 1483 C GLN B 11 3.083 12.436 -11.739 1.00 0.00 C ATOM 1484 O GLN B 11 2.562 12.911 -10.732 1.00 0.00 O ATOM 1485 CB GLN B 11 2.129 12.740 -14.031 1.00 0.00 C ATOM 1486 CG GLN B 11 0.698 12.766 -13.516 1.00 0.00 C ATOM 1487 CD GLN B 11 -0.279 12.111 -14.477 1.00 0.00 C ATOM 1488 OE1 GLN B 11 0.187 11.112 -15.210 1.00 0.00 O flip ATOM 1489 NE2 GLN B 11 -1.446 12.491 -14.549 1.00 0.00 N flip ATOM 0 H GLN B 11 4.538 12.715 -14.514 1.00 0.00 H new ATOM 0 HA GLN B 11 2.954 14.293 -12.798 1.00 0.00 H new ATOM 0 HB2 GLN B 11 2.189 13.345 -14.936 1.00 0.00 H new ATOM 0 HB3 GLN B 11 2.383 11.718 -14.314 1.00 0.00 H new ATOM 0 HG2 GLN B 11 0.653 12.256 -12.554 1.00 0.00 H new ATOM 0 HG3 GLN B 11 0.396 13.799 -13.344 1.00 0.00 H new ATOM 0 HE21 GLN B 11 -1.767 13.265 -13.967 1.00 0.00 H new ATOM 0 HE22 GLN B 11 -2.093 12.032 -15.191 1.00 0.00 H new ATOM 1498 N VAL B 12 3.611 11.215 -11.784 1.00 0.00 N ATOM 1499 CA VAL B 12 3.642 10.345 -10.613 1.00 0.00 C ATOM 1500 C VAL B 12 4.374 11.030 -9.465 1.00 0.00 C ATOM 1501 O VAL B 12 3.900 11.035 -8.327 1.00 0.00 O ATOM 1502 CB VAL B 12 4.332 8.996 -10.922 1.00 0.00 C ATOM 1503 CG1 VAL B 12 4.393 8.121 -9.679 1.00 0.00 C ATOM 1504 CG2 VAL B 12 3.612 8.270 -12.052 1.00 0.00 C ATOM 0 H VAL B 12 4.024 10.806 -12.622 1.00 0.00 H new ATOM 0 HA VAL B 12 2.609 10.147 -10.329 1.00 0.00 H new ATOM 0 HB VAL B 12 5.353 9.204 -11.242 1.00 0.00 H new ATOM 0 HG11 VAL B 12 4.883 7.178 -9.922 1.00 0.00 H new ATOM 0 HG12 VAL B 12 4.958 8.634 -8.901 1.00 0.00 H new ATOM 0 HG13 VAL B 12 3.382 7.924 -9.323 1.00 0.00 H new ATOM 0 HG21 VAL B 12 4.113 7.323 -12.254 1.00 0.00 H new ATOM 0 HG22 VAL B 12 2.579 8.079 -11.762 1.00 0.00 H new ATOM 0 HG23 VAL B 12 3.628 8.888 -12.950 1.00 0.00 H new ATOM 1514 N GLU B 13 5.520 11.625 -9.782 1.00 0.00 N ATOM 1515 CA GLU B 13 6.306 12.359 -8.797 1.00 0.00 C ATOM 1516 C GLU B 13 5.480 13.484 -8.171 1.00 0.00 C ATOM 1517 O GLU B 13 5.476 13.664 -6.952 1.00 0.00 O ATOM 1518 CB GLU B 13 7.558 12.942 -9.455 1.00 0.00 C ATOM 1519 CG GLU B 13 8.397 13.803 -8.523 1.00 0.00 C ATOM 1520 CD GLU B 13 8.696 15.160 -9.118 1.00 0.00 C ATOM 1521 OE1 GLU B 13 9.427 15.228 -10.123 1.00 0.00 O ATOM 1522 OE2 GLU B 13 8.186 16.172 -8.593 1.00 0.00 O ATOM 0 H GLU B 13 5.926 11.613 -10.718 1.00 0.00 H new ATOM 0 HA GLU B 13 6.601 11.665 -8.009 1.00 0.00 H new ATOM 0 HB2 GLU B 13 8.173 12.125 -9.832 1.00 0.00 H new ATOM 0 HB3 GLU B 13 7.260 13.540 -10.316 1.00 0.00 H new ATOM 0 HG2 GLU B 13 7.871 13.930 -7.577 1.00 0.00 H new ATOM 0 HG3 GLU B 13 9.333 13.291 -8.301 1.00 0.00 H new ATOM 1529 N LYS B 14 4.771 14.226 -9.013 1.00 0.00 N ATOM 1530 CA LYS B 14 3.981 15.362 -8.555 1.00 0.00 C ATOM 1531 C LYS B 14 2.827 14.908 -7.668 1.00 0.00 C ATOM 1532 O LYS B 14 2.525 15.546 -6.657 1.00 0.00 O ATOM 1533 CB LYS B 14 3.457 16.168 -9.746 1.00 0.00 C ATOM 1534 CG LYS B 14 4.560 16.825 -10.561 1.00 0.00 C ATOM 1535 CD LYS B 14 5.389 17.775 -9.710 1.00 0.00 C ATOM 1536 CE LYS B 14 6.533 18.386 -10.501 1.00 0.00 C ATOM 1537 NZ LYS B 14 7.551 17.377 -10.895 1.00 0.00 N ATOM 0 H LYS B 14 4.727 14.061 -10.019 1.00 0.00 H new ATOM 0 HA LYS B 14 4.631 16.004 -7.960 1.00 0.00 H new ATOM 0 HB2 LYS B 14 2.879 15.510 -10.395 1.00 0.00 H new ATOM 0 HB3 LYS B 14 2.776 16.938 -9.383 1.00 0.00 H new ATOM 0 HG2 LYS B 14 5.206 16.057 -10.987 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.121 17.371 -11.396 1.00 0.00 H new ATOM 0 HD2 LYS B 14 4.750 18.569 -9.323 1.00 0.00 H new ATOM 0 HD3 LYS B 14 5.788 17.238 -8.849 1.00 0.00 H new ATOM 0 HE2 LYS B 14 6.137 18.867 -11.395 1.00 0.00 H new ATOM 0 HE3 LYS B 14 7.009 19.165 -9.905 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 8.177 17.781 -11.621 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 8.114 17.108 -10.063 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 7.075 16.535 -11.278 1.00 0.00 H new ATOM 1551 N ILE B 15 2.197 13.801 -8.035 1.00 0.00 N ATOM 1552 CA ILE B 15 1.126 13.236 -7.227 1.00 0.00 C ATOM 1553 C ILE B 15 1.662 12.819 -5.862 1.00 0.00 C ATOM 1554 O ILE B 15 1.071 13.136 -4.829 1.00 0.00 O ATOM 1555 CB ILE B 15 0.462 12.026 -7.922 1.00 0.00 C ATOM 1556 CG1 ILE B 15 -0.151 12.454 -9.257 1.00 0.00 C ATOM 1557 CG2 ILE B 15 -0.602 11.411 -7.022 1.00 0.00 C ATOM 1558 CD1 ILE B 15 -0.744 11.311 -10.056 1.00 0.00 C ATOM 0 H ILE B 15 2.408 13.278 -8.885 1.00 0.00 H new ATOM 0 HA ILE B 15 0.367 14.008 -7.101 1.00 0.00 H new ATOM 0 HB ILE B 15 1.227 11.273 -8.114 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -0.929 13.194 -9.068 1.00 0.00 H new ATOM 0 HG13 ILE B 15 0.616 12.944 -9.857 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -1.059 10.560 -7.528 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -0.143 11.076 -6.092 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -1.367 12.156 -6.802 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -1.158 11.695 -10.988 1.00 0.00 H new ATOM 0 HD12 ILE B 15 0.034 10.581 -10.278 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -1.535 10.834 -9.477 1.00 0.00 H new ATOM 1570 N LEU B 16 2.799 12.127 -5.865 1.00 0.00 N ATOM 1571 CA LEU B 16 3.451 11.706 -4.628 1.00 0.00 C ATOM 1572 C LEU B 16 3.765 12.907 -3.740 1.00 0.00 C ATOM 1573 O LEU B 16 3.575 12.858 -2.524 1.00 0.00 O ATOM 1574 CB LEU B 16 4.744 10.943 -4.936 1.00 0.00 C ATOM 1575 CG LEU B 16 4.557 9.548 -5.528 1.00 0.00 C ATOM 1576 CD1 LEU B 16 5.896 8.966 -5.948 1.00 0.00 C ATOM 1577 CD2 LEU B 16 3.875 8.638 -4.519 1.00 0.00 C ATOM 0 H LEU B 16 3.289 11.845 -6.714 1.00 0.00 H new ATOM 0 HA LEU B 16 2.764 11.048 -4.096 1.00 0.00 H new ATOM 0 HB2 LEU B 16 5.339 11.537 -5.630 1.00 0.00 H new ATOM 0 HB3 LEU B 16 5.321 10.854 -4.016 1.00 0.00 H new ATOM 0 HG LEU B 16 3.924 9.626 -6.412 1.00 0.00 H new ATOM 0 HD11 LEU B 16 5.745 7.972 -6.368 1.00 0.00 H new ATOM 0 HD12 LEU B 16 6.354 9.611 -6.698 1.00 0.00 H new ATOM 0 HD13 LEU B 16 6.551 8.898 -5.080 1.00 0.00 H new ATOM 0 HD21 LEU B 16 3.747 7.646 -4.952 1.00 0.00 H new ATOM 0 HD22 LEU B 16 4.489 8.565 -3.621 1.00 0.00 H new ATOM 0 HD23 LEU B 16 2.900 9.049 -4.259 1.00 0.00 H new ATOM 1589 N ALA B 17 4.235 13.984 -4.359 1.00 0.00 N ATOM 1590 CA ALA B 17 4.587 15.197 -3.634 1.00 0.00 C ATOM 1591 C ALA B 17 3.379 15.779 -2.910 1.00 0.00 C ATOM 1592 O ALA B 17 3.469 16.151 -1.739 1.00 0.00 O ATOM 1593 CB ALA B 17 5.181 16.229 -4.580 1.00 0.00 C ATOM 0 H ALA B 17 4.381 14.041 -5.367 1.00 0.00 H new ATOM 0 HA ALA B 17 5.334 14.933 -2.886 1.00 0.00 H new ATOM 0 HB1 ALA B 17 5.438 17.129 -4.022 1.00 0.00 H new ATOM 0 HB2 ALA B 17 6.079 15.822 -5.046 1.00 0.00 H new ATOM 0 HB3 ALA B 17 4.452 16.477 -5.352 1.00 0.00 H new ATOM 1599 N GLU B 18 2.246 15.847 -3.600 1.00 0.00 N ATOM 1600 CA GLU B 18 1.027 16.379 -3.003 1.00 0.00 C ATOM 1601 C GLU B 18 0.495 15.450 -1.914 1.00 0.00 C ATOM 1602 O GLU B 18 -0.011 15.912 -0.892 1.00 0.00 O ATOM 1603 CB GLU B 18 -0.044 16.627 -4.065 1.00 0.00 C ATOM 1604 CG GLU B 18 0.295 17.769 -5.013 1.00 0.00 C ATOM 1605 CD GLU B 18 -0.861 18.149 -5.918 1.00 0.00 C ATOM 1606 OE1 GLU B 18 -1.802 18.818 -5.440 1.00 0.00 O ATOM 1607 OE2 GLU B 18 -0.837 17.790 -7.112 1.00 0.00 O ATOM 0 H GLU B 18 2.146 15.542 -4.568 1.00 0.00 H new ATOM 0 HA GLU B 18 1.278 17.334 -2.542 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -0.188 15.715 -4.644 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -0.991 16.844 -3.571 1.00 0.00 H new ATOM 0 HG2 GLU B 18 0.596 18.640 -4.431 1.00 0.00 H new ATOM 0 HG3 GLU B 18 1.151 17.484 -5.625 1.00 0.00 H new ATOM 1614 N VAL B 19 0.622 14.145 -2.126 1.00 0.00 N ATOM 1615 CA VAL B 19 0.217 13.171 -1.115 1.00 0.00 C ATOM 1616 C VAL B 19 1.075 13.323 0.141 1.00 0.00 C ATOM 1617 O VAL B 19 0.559 13.357 1.259 1.00 0.00 O ATOM 1618 CB VAL B 19 0.320 11.720 -1.640 1.00 0.00 C ATOM 1619 CG1 VAL B 19 0.020 10.718 -0.533 1.00 0.00 C ATOM 1620 CG2 VAL B 19 -0.623 11.508 -2.816 1.00 0.00 C ATOM 0 H VAL B 19 0.999 13.738 -2.982 1.00 0.00 H new ATOM 0 HA VAL B 19 -0.827 13.370 -0.873 1.00 0.00 H new ATOM 0 HB VAL B 19 1.343 11.557 -1.980 1.00 0.00 H new ATOM 0 HG11 VAL B 19 0.099 9.705 -0.928 1.00 0.00 H new ATOM 0 HG12 VAL B 19 0.736 10.848 0.279 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -0.990 10.883 -0.157 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -0.536 10.481 -3.172 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -1.649 11.697 -2.499 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -0.360 12.194 -3.621 1.00 0.00 H new ATOM 1630 N ALA B 20 2.385 13.439 -0.056 1.00 0.00 N ATOM 1631 CA ALA B 20 3.315 13.636 1.053 1.00 0.00 C ATOM 1632 C ALA B 20 3.038 14.956 1.762 1.00 0.00 C ATOM 1633 O ALA B 20 3.228 15.077 2.972 1.00 0.00 O ATOM 1634 CB ALA B 20 4.752 13.593 0.556 1.00 0.00 C ATOM 0 H ALA B 20 2.828 13.400 -0.974 1.00 0.00 H new ATOM 0 HA ALA B 20 3.170 12.826 1.768 1.00 0.00 H new ATOM 0 HB1 ALA B 20 5.432 13.741 1.395 1.00 0.00 H new ATOM 0 HB2 ALA B 20 4.949 12.625 0.096 1.00 0.00 H new ATOM 0 HB3 ALA B 20 4.906 14.382 -0.180 1.00 0.00 H new ATOM 1640 N LEU B 21 2.578 15.941 0.999 1.00 0.00 N ATOM 1641 CA LEU B 21 2.213 17.233 1.556 1.00 0.00 C ATOM 1642 C LEU B 21 1.031 17.078 2.509 1.00 0.00 C ATOM 1643 O LEU B 21 1.005 17.687 3.573 1.00 0.00 O ATOM 1644 CB LEU B 21 1.889 18.221 0.426 1.00 0.00 C ATOM 1645 CG LEU B 21 1.681 19.682 0.848 1.00 0.00 C ATOM 1646 CD1 LEU B 21 2.042 20.611 -0.297 1.00 0.00 C ATOM 1647 CD2 LEU B 21 0.240 19.928 1.277 1.00 0.00 C ATOM 0 H LEU B 21 2.450 15.866 -0.010 1.00 0.00 H new ATOM 0 HA LEU B 21 3.055 17.631 2.123 1.00 0.00 H new ATOM 0 HB2 LEU B 21 2.698 18.186 -0.303 1.00 0.00 H new ATOM 0 HB3 LEU B 21 0.987 17.878 -0.082 1.00 0.00 H new ATOM 0 HG LEU B 21 2.332 19.885 1.698 1.00 0.00 H new ATOM 0 HD11 LEU B 21 1.891 21.645 0.012 1.00 0.00 H new ATOM 0 HD12 LEU B 21 3.087 20.463 -0.570 1.00 0.00 H new ATOM 0 HD13 LEU B 21 1.408 20.393 -1.156 1.00 0.00 H new ATOM 0 HD21 LEU B 21 0.121 20.971 1.571 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -0.430 19.706 0.446 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -0.003 19.283 2.121 1.00 0.00 H new ATOM 1659 N VAL B 22 0.066 16.244 2.128 1.00 0.00 N ATOM 1660 CA VAL B 22 -1.100 15.983 2.968 1.00 0.00 C ATOM 1661 C VAL B 22 -0.683 15.267 4.252 1.00 0.00 C ATOM 1662 O VAL B 22 -1.233 15.519 5.328 1.00 0.00 O ATOM 1663 CB VAL B 22 -2.162 15.138 2.226 1.00 0.00 C ATOM 1664 CG1 VAL B 22 -3.354 14.848 3.126 1.00 0.00 C ATOM 1665 CG2 VAL B 22 -2.615 15.844 0.957 1.00 0.00 C ATOM 0 H VAL B 22 0.069 15.737 1.243 1.00 0.00 H new ATOM 0 HA VAL B 22 -1.544 16.947 3.216 1.00 0.00 H new ATOM 0 HB VAL B 22 -1.705 14.188 1.951 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -4.086 14.253 2.580 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -3.021 14.296 4.005 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -3.811 15.787 3.439 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -3.362 15.235 0.448 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -3.049 16.811 1.213 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -1.759 15.993 0.299 1.00 0.00 H new ATOM 1675 N LEU B 23 0.304 14.388 4.130 1.00 0.00 N ATOM 1676 CA LEU B 23 0.850 13.682 5.283 1.00 0.00 C ATOM 1677 C LEU B 23 1.465 14.676 6.264 1.00 0.00 C ATOM 1678 O LEU B 23 1.193 14.631 7.464 1.00 0.00 O ATOM 1679 CB LEU B 23 1.903 12.665 4.836 1.00 0.00 C ATOM 1680 CG LEU B 23 1.415 11.633 3.816 1.00 0.00 C ATOM 1681 CD1 LEU B 23 2.553 10.719 3.401 1.00 0.00 C ATOM 1682 CD2 LEU B 23 0.258 10.825 4.385 1.00 0.00 C ATOM 0 H LEU B 23 0.744 14.146 3.242 1.00 0.00 H new ATOM 0 HA LEU B 23 0.040 13.149 5.781 1.00 0.00 H new ATOM 0 HB2 LEU B 23 2.748 13.204 4.409 1.00 0.00 H new ATOM 0 HB3 LEU B 23 2.273 12.138 5.715 1.00 0.00 H new ATOM 0 HG LEU B 23 1.060 12.162 2.932 1.00 0.00 H new ATOM 0 HD11 LEU B 23 2.189 9.991 2.676 1.00 0.00 H new ATOM 0 HD12 LEU B 23 3.350 11.311 2.952 1.00 0.00 H new ATOM 0 HD13 LEU B 23 2.938 10.197 4.277 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -0.075 10.097 3.646 1.00 0.00 H new ATOM 0 HD22 LEU B 23 0.586 10.305 5.285 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -0.566 11.494 4.632 1.00 0.00 H new ATOM 1694 N GLU B 24 2.280 15.583 5.737 1.00 0.00 N ATOM 1695 CA GLU B 24 2.874 16.651 6.536 1.00 0.00 C ATOM 1696 C GLU B 24 1.783 17.570 7.085 1.00 0.00 C ATOM 1697 O GLU B 24 1.828 17.992 8.239 1.00 0.00 O ATOM 1698 CB GLU B 24 3.865 17.451 5.678 1.00 0.00 C ATOM 1699 CG GLU B 24 4.478 18.652 6.388 1.00 0.00 C ATOM 1700 CD GLU B 24 5.301 18.269 7.600 1.00 0.00 C ATOM 1701 OE1 GLU B 24 6.428 17.768 7.426 1.00 0.00 O ATOM 1702 OE2 GLU B 24 4.835 18.490 8.738 1.00 0.00 O ATOM 0 H GLU B 24 2.546 15.600 4.753 1.00 0.00 H new ATOM 0 HA GLU B 24 3.409 16.211 7.377 1.00 0.00 H new ATOM 0 HB2 GLU B 24 4.666 16.787 5.354 1.00 0.00 H new ATOM 0 HB3 GLU B 24 3.354 17.796 4.779 1.00 0.00 H new ATOM 0 HG2 GLU B 24 5.108 19.199 5.686 1.00 0.00 H new ATOM 0 HG3 GLU B 24 3.682 19.330 6.696 1.00 0.00 H new ATOM 1709 N LYS B 25 0.790 17.835 6.251 1.00 0.00 N ATOM 1710 CA LYS B 25 -0.321 18.717 6.589 1.00 0.00 C ATOM 1711 C LYS B 25 -1.066 18.239 7.839 1.00 0.00 C ATOM 1712 O LYS B 25 -1.736 19.023 8.507 1.00 0.00 O ATOM 1713 CB LYS B 25 -1.266 18.793 5.387 1.00 0.00 C ATOM 1714 CG LYS B 25 -2.408 19.780 5.529 1.00 0.00 C ATOM 1715 CD LYS B 25 -3.165 19.916 4.216 1.00 0.00 C ATOM 1716 CE LYS B 25 -4.350 20.860 4.333 1.00 0.00 C ATOM 1717 NZ LYS B 25 -5.464 20.269 5.121 1.00 0.00 N ATOM 0 H LYS B 25 0.730 17.442 5.312 1.00 0.00 H new ATOM 0 HA LYS B 25 0.070 19.708 6.819 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -0.685 19.058 4.504 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -1.683 17.802 5.209 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -3.087 19.448 6.314 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -2.020 20.752 5.834 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -2.487 20.280 3.444 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -3.515 18.934 3.897 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -4.027 21.789 4.804 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -4.708 21.116 3.336 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -6.236 20.961 5.203 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -5.814 19.415 4.641 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -5.122 20.017 6.071 1.00 0.00 H new ATOM 1731 N HIS B 26 -0.942 16.957 8.158 1.00 0.00 N ATOM 1732 CA HIS B 26 -1.590 16.402 9.339 1.00 0.00 C ATOM 1733 C HIS B 26 -0.582 15.724 10.266 1.00 0.00 C ATOM 1734 O HIS B 26 -0.974 15.000 11.182 1.00 0.00 O ATOM 1735 CB HIS B 26 -2.676 15.407 8.933 1.00 0.00 C ATOM 1736 CG HIS B 26 -3.933 16.049 8.427 1.00 0.00 C ATOM 1737 ND1 HIS B 26 -5.008 16.327 9.239 1.00 0.00 N ATOM 1738 CD2 HIS B 26 -4.294 16.447 7.183 1.00 0.00 C ATOM 1739 CE1 HIS B 26 -5.975 16.866 8.523 1.00 0.00 C ATOM 1740 NE2 HIS B 26 -5.570 16.951 7.269 1.00 0.00 N ATOM 0 H HIS B 26 -0.400 16.283 7.617 1.00 0.00 H new ATOM 0 HA HIS B 26 -2.046 17.229 9.883 1.00 0.00 H new ATOM 0 HB2 HIS B 26 -2.280 14.748 8.160 1.00 0.00 H new ATOM 0 HB3 HIS B 26 -2.920 14.781 9.791 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -3.691 16.381 6.290 1.00 0.00 H new ATOM 0 HE1 HIS B 26 -6.936 17.184 8.899 1.00 0.00 H new ATOM 0 HE2 HIS B 26 -6.114 17.328 6.493 1.00 0.00 H new ATOM 1749 N ALA B 27 0.707 15.971 10.022 1.00 0.00 N ATOM 1750 CA ALA B 27 1.792 15.420 10.844 1.00 0.00 C ATOM 1751 C ALA B 27 1.677 13.901 10.992 1.00 0.00 C ATOM 1752 O ALA B 27 1.839 13.355 12.088 1.00 0.00 O ATOM 1753 CB ALA B 27 1.809 16.093 12.211 1.00 0.00 C ATOM 0 H ALA B 27 1.030 16.557 9.252 1.00 0.00 H new ATOM 0 HA ALA B 27 2.734 15.626 10.335 1.00 0.00 H new ATOM 0 HB1 ALA B 27 2.618 15.676 12.812 1.00 0.00 H new ATOM 0 HB2 ALA B 27 1.964 17.165 12.087 1.00 0.00 H new ATOM 0 HB3 ALA B 27 0.857 15.920 12.714 1.00 0.00 H new ATOM 1759 N ALA B 28 1.424 13.224 9.878 1.00 0.00 N ATOM 1760 CA ALA B 28 1.204 11.784 9.879 1.00 0.00 C ATOM 1761 C ALA B 28 2.464 11.015 10.280 1.00 0.00 C ATOM 1762 O ALA B 28 3.540 11.209 9.706 1.00 0.00 O ATOM 1763 CB ALA B 28 0.722 11.326 8.512 1.00 0.00 C ATOM 0 H ALA B 28 1.366 13.655 8.955 1.00 0.00 H new ATOM 0 HA ALA B 28 0.437 11.569 10.623 1.00 0.00 H new ATOM 0 HB1 ALA B 28 0.561 10.248 8.525 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -0.214 11.830 8.269 1.00 0.00 H new ATOM 0 HB3 ALA B 28 1.472 11.572 7.761 1.00 0.00 H new ATOM 1769 N SER B 29 2.314 10.142 11.269 1.00 0.00 N ATOM 1770 CA SER B 29 3.402 9.291 11.733 1.00 0.00 C ATOM 1771 C SER B 29 3.743 8.242 10.675 1.00 0.00 C ATOM 1772 O SER B 29 2.962 8.027 9.745 1.00 0.00 O ATOM 1773 CB SER B 29 2.991 8.607 13.041 1.00 0.00 C ATOM 1774 OG SER B 29 1.840 7.796 12.855 1.00 0.00 O ATOM 0 H SER B 29 1.437 10.005 11.771 1.00 0.00 H new ATOM 0 HA SER B 29 4.286 9.904 11.908 1.00 0.00 H new ATOM 0 HB2 SER B 29 3.815 7.996 13.409 1.00 0.00 H new ATOM 0 HB3 SER B 29 2.789 9.361 13.801 1.00 0.00 H new ATOM 0 HG SER B 29 1.721 7.213 13.634 1.00 0.00 H new ATOM 1780 N PRO B 30 4.913 7.583 10.784 1.00 0.00 N ATOM 1781 CA PRO B 30 5.305 6.513 9.861 1.00 0.00 C ATOM 1782 C PRO B 30 4.240 5.422 9.768 1.00 0.00 C ATOM 1783 O PRO B 30 3.853 5.018 8.673 1.00 0.00 O ATOM 1784 CB PRO B 30 6.603 5.954 10.466 1.00 0.00 C ATOM 1785 CG PRO B 30 6.680 6.521 11.844 1.00 0.00 C ATOM 1786 CD PRO B 30 5.953 7.832 11.795 1.00 0.00 C ATOM 0 HA PRO B 30 5.432 6.881 8.843 1.00 0.00 H new ATOM 0 HB2 PRO B 30 6.586 4.864 10.491 1.00 0.00 H new ATOM 0 HB3 PRO B 30 7.470 6.246 9.873 1.00 0.00 H new ATOM 0 HG2 PRO B 30 6.222 5.848 12.569 1.00 0.00 H new ATOM 0 HG3 PRO B 30 7.717 6.661 12.150 1.00 0.00 H new ATOM 0 HD2 PRO B 30 5.524 8.094 12.762 1.00 0.00 H new ATOM 0 HD3 PRO B 30 6.612 8.651 11.506 1.00 0.00 H new ATOM 1794 N GLU B 31 3.762 4.970 10.923 1.00 0.00 N ATOM 1795 CA GLU B 31 2.716 3.954 10.985 1.00 0.00 C ATOM 1796 C GLU B 31 1.438 4.439 10.309 1.00 0.00 C ATOM 1797 O GLU B 31 0.876 3.745 9.464 1.00 0.00 O ATOM 1798 CB GLU B 31 2.430 3.586 12.440 1.00 0.00 C ATOM 1799 CG GLU B 31 3.462 2.652 13.048 1.00 0.00 C ATOM 1800 CD GLU B 31 3.199 1.196 12.711 1.00 0.00 C ATOM 1801 OE1 GLU B 31 3.575 0.746 11.611 1.00 0.00 O ATOM 1802 OE2 GLU B 31 2.609 0.488 13.558 1.00 0.00 O ATOM 0 H GLU B 31 4.085 5.294 11.835 1.00 0.00 H new ATOM 0 HA GLU B 31 3.068 3.071 10.452 1.00 0.00 H new ATOM 0 HB2 GLU B 31 2.384 4.499 13.034 1.00 0.00 H new ATOM 0 HB3 GLU B 31 1.448 3.117 12.501 1.00 0.00 H new ATOM 0 HG2 GLU B 31 4.454 2.930 12.692 1.00 0.00 H new ATOM 0 HG3 GLU B 31 3.466 2.776 14.131 1.00 0.00 H new ATOM 1809 N LEU B 32 0.990 5.637 10.678 1.00 0.00 N ATOM 1810 CA LEU B 32 -0.208 6.221 10.086 1.00 0.00 C ATOM 1811 C LEU B 32 -0.035 6.360 8.578 1.00 0.00 C ATOM 1812 O LEU B 32 -0.918 5.992 7.811 1.00 0.00 O ATOM 1813 CB LEU B 32 -0.501 7.588 10.713 1.00 0.00 C ATOM 1814 CG LEU B 32 -1.746 8.305 10.182 1.00 0.00 C ATOM 1815 CD1 LEU B 32 -2.993 7.465 10.411 1.00 0.00 C ATOM 1816 CD2 LEU B 32 -1.894 9.663 10.845 1.00 0.00 C ATOM 0 H LEU B 32 1.439 6.221 11.384 1.00 0.00 H new ATOM 0 HA LEU B 32 -1.052 5.560 10.284 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -0.610 7.458 11.790 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.363 8.233 10.555 1.00 0.00 H new ATOM 0 HG LEU B 32 -1.626 8.450 9.108 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -3.864 7.995 10.026 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -2.890 6.512 9.893 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -3.120 7.286 11.479 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -2.783 10.162 10.458 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -1.991 9.533 11.923 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -1.015 10.270 10.630 1.00 0.00 H new ATOM 1828 N THR B 33 1.120 6.871 8.171 1.00 0.00 N ATOM 1829 CA THR B 33 1.449 7.039 6.761 1.00 0.00 C ATOM 1830 C THR B 33 1.349 5.718 6.002 1.00 0.00 C ATOM 1831 O THR B 33 0.660 5.618 4.983 1.00 0.00 O ATOM 1832 CB THR B 33 2.876 7.598 6.599 1.00 0.00 C ATOM 1833 OG1 THR B 33 2.954 8.912 7.164 1.00 0.00 O ATOM 1834 CG2 THR B 33 3.294 7.631 5.136 1.00 0.00 C ATOM 0 H THR B 33 1.854 7.180 8.808 1.00 0.00 H new ATOM 0 HA THR B 33 0.727 7.742 6.346 1.00 0.00 H new ATOM 0 HB THR B 33 3.561 6.936 7.129 1.00 0.00 H new ATOM 0 HG1 THR B 33 2.953 8.848 8.142 1.00 0.00 H new ATOM 0 HG21 THR B 33 4.305 8.030 5.055 1.00 0.00 H new ATOM 0 HG22 THR B 33 3.269 6.621 4.728 1.00 0.00 H new ATOM 0 HG23 THR B 33 2.608 8.266 4.576 1.00 0.00 H new ATOM 1842 N LEU B 34 2.031 4.707 6.517 1.00 0.00 N ATOM 1843 CA LEU B 34 2.090 3.418 5.858 1.00 0.00 C ATOM 1844 C LEU B 34 0.718 2.741 5.880 1.00 0.00 C ATOM 1845 O LEU B 34 0.329 2.066 4.926 1.00 0.00 O ATOM 1846 CB LEU B 34 3.157 2.546 6.528 1.00 0.00 C ATOM 1847 CG LEU B 34 3.464 1.232 5.818 1.00 0.00 C ATOM 1848 CD1 LEU B 34 4.956 0.945 5.844 1.00 0.00 C ATOM 1849 CD2 LEU B 34 2.702 0.089 6.470 1.00 0.00 C ATOM 0 H LEU B 34 2.552 4.758 7.392 1.00 0.00 H new ATOM 0 HA LEU B 34 2.368 3.558 4.813 1.00 0.00 H new ATOM 0 HB2 LEU B 34 4.079 3.123 6.604 1.00 0.00 H new ATOM 0 HB3 LEU B 34 2.835 2.324 7.545 1.00 0.00 H new ATOM 0 HG LEU B 34 3.146 1.322 4.779 1.00 0.00 H new ATOM 0 HD11 LEU B 34 5.154 0.003 5.332 1.00 0.00 H new ATOM 0 HD12 LEU B 34 5.490 1.751 5.341 1.00 0.00 H new ATOM 0 HD13 LEU B 34 5.295 0.875 6.878 1.00 0.00 H new ATOM 0 HD21 LEU B 34 2.931 -0.843 5.953 1.00 0.00 H new ATOM 0 HD22 LEU B 34 2.997 0.005 7.516 1.00 0.00 H new ATOM 0 HD23 LEU B 34 1.631 0.284 6.409 1.00 0.00 H new ATOM 1861 N MET B 35 -0.023 2.947 6.961 1.00 0.00 N ATOM 1862 CA MET B 35 -1.378 2.422 7.068 1.00 0.00 C ATOM 1863 C MET B 35 -2.313 3.140 6.090 1.00 0.00 C ATOM 1864 O MET B 35 -3.259 2.547 5.567 1.00 0.00 O ATOM 1865 CB MET B 35 -1.885 2.560 8.506 1.00 0.00 C ATOM 1866 CG MET B 35 -3.321 2.110 8.704 1.00 0.00 C ATOM 1867 SD MET B 35 -3.811 2.113 10.439 1.00 0.00 S ATOM 1868 CE MET B 35 -3.264 3.742 10.952 1.00 0.00 C ATOM 0 H MET B 35 0.291 3.474 7.776 1.00 0.00 H new ATOM 0 HA MET B 35 -1.365 1.364 6.806 1.00 0.00 H new ATOM 0 HB2 MET B 35 -1.240 1.979 9.165 1.00 0.00 H new ATOM 0 HB3 MET B 35 -1.797 3.602 8.812 1.00 0.00 H new ATOM 0 HG2 MET B 35 -3.985 2.766 8.141 1.00 0.00 H new ATOM 0 HG3 MET B 35 -3.444 1.106 8.297 1.00 0.00 H new ATOM 0 HE1 MET B 35 -3.752 4.011 11.889 1.00 0.00 H new ATOM 0 HE2 MET B 35 -2.183 3.735 11.095 1.00 0.00 H new ATOM 0 HE3 MET B 35 -3.524 4.471 10.185 1.00 0.00 H new ATOM 1878 N ILE B 36 -2.043 4.419 5.847 1.00 0.00 N ATOM 1879 CA ILE B 36 -2.781 5.182 4.846 1.00 0.00 C ATOM 1880 C ILE B 36 -2.570 4.579 3.462 1.00 0.00 C ATOM 1881 O ILE B 36 -3.523 4.408 2.700 1.00 0.00 O ATOM 1882 CB ILE B 36 -2.375 6.678 4.854 1.00 0.00 C ATOM 1883 CG1 ILE B 36 -3.005 7.379 6.063 1.00 0.00 C ATOM 1884 CG2 ILE B 36 -2.779 7.368 3.555 1.00 0.00 C ATOM 1885 CD1 ILE B 36 -2.640 8.842 6.188 1.00 0.00 C ATOM 0 H ILE B 36 -1.318 4.949 6.330 1.00 0.00 H new ATOM 0 HA ILE B 36 -3.840 5.128 5.099 1.00 0.00 H new ATOM 0 HB ILE B 36 -1.290 6.742 4.933 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -4.089 7.291 5.996 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -2.698 6.860 6.971 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -2.481 8.416 3.592 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -2.286 6.879 2.715 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -3.860 7.303 3.429 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -3.126 9.264 7.068 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -1.559 8.940 6.288 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -2.972 9.377 5.298 1.00 0.00 H new ATOM 1897 N ALA B 37 -1.324 4.228 3.157 1.00 0.00 N ATOM 1898 CA ALA B 37 -1.004 3.543 1.907 1.00 0.00 C ATOM 1899 C ALA B 37 -1.774 2.231 1.813 1.00 0.00 C ATOM 1900 O ALA B 37 -2.266 1.856 0.747 1.00 0.00 O ATOM 1901 CB ALA B 37 0.493 3.291 1.807 1.00 0.00 C ATOM 0 H ALA B 37 -0.519 4.406 3.758 1.00 0.00 H new ATOM 0 HA ALA B 37 -1.301 4.181 1.074 1.00 0.00 H new ATOM 0 HB1 ALA B 37 0.714 2.780 0.870 1.00 0.00 H new ATOM 0 HB2 ALA B 37 1.025 4.242 1.836 1.00 0.00 H new ATOM 0 HB3 ALA B 37 0.814 2.670 2.643 1.00 0.00 H new ATOM 1907 N GLY B 38 -1.887 1.548 2.949 1.00 0.00 N ATOM 1908 CA GLY B 38 -2.675 0.333 3.016 1.00 0.00 C ATOM 1909 C GLY B 38 -4.128 0.581 2.686 1.00 0.00 C ATOM 1910 O GLY B 38 -4.722 -0.152 1.897 1.00 0.00 O ATOM 0 H GLY B 38 -1.444 1.817 3.827 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -2.266 -0.403 2.323 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -2.598 -0.094 4.016 1.00 0.00 H new ATOM 1914 N ASN B 39 -4.695 1.625 3.279 1.00 0.00 N ATOM 1915 CA ASN B 39 -6.078 2.008 3.007 1.00 0.00 C ATOM 1916 C ASN B 39 -6.281 2.290 1.525 1.00 0.00 C ATOM 1917 O ASN B 39 -7.308 1.922 0.951 1.00 0.00 O ATOM 1918 CB ASN B 39 -6.485 3.237 3.826 1.00 0.00 C ATOM 1919 CG ASN B 39 -6.936 2.890 5.235 1.00 0.00 C ATOM 1920 OD1 ASN B 39 -8.110 2.608 5.467 1.00 0.00 O ATOM 1921 ND2 ASN B 39 -6.014 2.920 6.187 1.00 0.00 N ATOM 0 H ASN B 39 -4.218 2.224 3.953 1.00 0.00 H new ATOM 0 HA ASN B 39 -6.711 1.170 3.299 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -5.642 3.926 3.880 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -7.291 3.759 3.311 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -6.269 2.705 7.151 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -5.050 3.159 5.956 1.00 0.00 H new ATOM 1928 N ILE B 40 -5.297 2.938 0.911 1.00 0.00 N ATOM 1929 CA ILE B 40 -5.340 3.214 -0.519 1.00 0.00 C ATOM 1930 C ILE B 40 -5.463 1.918 -1.313 1.00 0.00 C ATOM 1931 O ILE B 40 -6.430 1.727 -2.054 1.00 0.00 O ATOM 1932 CB ILE B 40 -4.085 3.983 -0.989 1.00 0.00 C ATOM 1933 CG1 ILE B 40 -3.998 5.340 -0.290 1.00 0.00 C ATOM 1934 CG2 ILE B 40 -4.101 4.163 -2.501 1.00 0.00 C ATOM 1935 CD1 ILE B 40 -2.792 6.154 -0.704 1.00 0.00 C ATOM 0 H ILE B 40 -4.460 3.282 1.382 1.00 0.00 H new ATOM 0 HA ILE B 40 -6.216 3.837 -0.699 1.00 0.00 H new ATOM 0 HB ILE B 40 -3.204 3.399 -0.723 1.00 0.00 H new ATOM 0 HG12 ILE B 40 -4.902 5.909 -0.505 1.00 0.00 H new ATOM 0 HG13 ILE B 40 -3.968 5.183 0.788 1.00 0.00 H new ATOM 0 HG21 ILE B 40 -3.209 4.707 -2.812 1.00 0.00 H new ATOM 0 HG22 ILE B 40 -4.117 3.186 -2.984 1.00 0.00 H new ATOM 0 HG23 ILE B 40 -4.988 4.726 -2.791 1.00 0.00 H new ATOM 0 HD11 ILE B 40 -2.793 7.104 -0.170 1.00 0.00 H new ATOM 0 HD12 ILE B 40 -1.882 5.604 -0.464 1.00 0.00 H new ATOM 0 HD13 ILE B 40 -2.830 6.341 -1.777 1.00 0.00 H new ATOM 1947 N ALA B 41 -4.496 1.021 -1.125 1.00 0.00 N ATOM 1948 CA ALA B 41 -4.478 -0.259 -1.825 1.00 0.00 C ATOM 1949 C ALA B 41 -5.740 -1.065 -1.530 1.00 0.00 C ATOM 1950 O ALA B 41 -6.273 -1.742 -2.407 1.00 0.00 O ATOM 1951 CB ALA B 41 -3.241 -1.050 -1.434 1.00 0.00 C ATOM 0 H ALA B 41 -3.711 1.160 -0.489 1.00 0.00 H new ATOM 0 HA ALA B 41 -4.449 -0.062 -2.897 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -3.237 -2.004 -1.962 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -2.348 -0.484 -1.700 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -3.249 -1.230 -0.359 1.00 0.00 H new ATOM 1957 N THR B 42 -6.216 -0.975 -0.292 1.00 0.00 N ATOM 1958 CA THR B 42 -7.436 -1.655 0.113 1.00 0.00 C ATOM 1959 C THR B 42 -8.623 -1.188 -0.728 1.00 0.00 C ATOM 1960 O THR B 42 -9.377 -2.002 -1.254 1.00 0.00 O ATOM 1961 CB THR B 42 -7.734 -1.418 1.607 1.00 0.00 C ATOM 1962 OG1 THR B 42 -6.635 -1.888 2.399 1.00 0.00 O ATOM 1963 CG2 THR B 42 -9.006 -2.130 2.033 1.00 0.00 C ATOM 0 H THR B 42 -5.771 -0.434 0.450 1.00 0.00 H new ATOM 0 HA THR B 42 -7.285 -2.722 -0.048 1.00 0.00 H new ATOM 0 HB THR B 42 -7.872 -0.348 1.760 1.00 0.00 H new ATOM 0 HG1 THR B 42 -5.922 -1.216 2.401 1.00 0.00 H new ATOM 0 HG21 THR B 42 -9.190 -1.944 3.091 1.00 0.00 H new ATOM 0 HG22 THR B 42 -9.846 -1.756 1.448 1.00 0.00 H new ATOM 0 HG23 THR B 42 -8.896 -3.202 1.866 1.00 0.00 H new ATOM 1971 N ASN B 43 -8.770 0.125 -0.867 1.00 0.00 N ATOM 1972 CA ASN B 43 -9.856 0.686 -1.665 1.00 0.00 C ATOM 1973 C ASN B 43 -9.716 0.277 -3.123 1.00 0.00 C ATOM 1974 O ASN B 43 -10.712 0.035 -3.807 1.00 0.00 O ATOM 1975 CB ASN B 43 -9.902 2.214 -1.546 1.00 0.00 C ATOM 1976 CG ASN B 43 -10.615 2.680 -0.290 1.00 0.00 C ATOM 1977 OD1 ASN B 43 -11.832 2.852 -0.283 1.00 0.00 O ATOM 1978 ND2 ASN B 43 -9.867 2.887 0.781 1.00 0.00 N ATOM 0 H ASN B 43 -8.155 0.818 -0.440 1.00 0.00 H new ATOM 0 HA ASN B 43 -10.793 0.287 -1.276 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -8.885 2.606 -1.549 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -10.405 2.628 -2.420 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -10.298 3.200 1.651 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -8.860 2.733 0.737 1.00 0.00 H new ATOM 1985 N VAL B 44 -8.477 0.193 -3.594 1.00 0.00 N ATOM 1986 CA VAL B 44 -8.207 -0.289 -4.941 1.00 0.00 C ATOM 1987 C VAL B 44 -8.720 -1.713 -5.098 1.00 0.00 C ATOM 1988 O VAL B 44 -9.501 -2.009 -5.999 1.00 0.00 O ATOM 1989 CB VAL B 44 -6.700 -0.268 -5.276 1.00 0.00 C ATOM 1990 CG1 VAL B 44 -6.465 -0.704 -6.715 1.00 0.00 C ATOM 1991 CG2 VAL B 44 -6.107 1.107 -5.034 1.00 0.00 C ATOM 0 H VAL B 44 -7.646 0.452 -3.063 1.00 0.00 H new ATOM 0 HA VAL B 44 -8.722 0.382 -5.628 1.00 0.00 H new ATOM 0 HB VAL B 44 -6.199 -0.974 -4.614 1.00 0.00 H new ATOM 0 HG11 VAL B 44 -5.397 -0.683 -6.932 1.00 0.00 H new ATOM 0 HG12 VAL B 44 -6.843 -1.717 -6.855 1.00 0.00 H new ATOM 0 HG13 VAL B 44 -6.986 -0.025 -7.390 1.00 0.00 H new ATOM 0 HG21 VAL B 44 -5.045 1.093 -5.278 1.00 0.00 H new ATOM 0 HG22 VAL B 44 -6.614 1.838 -5.664 1.00 0.00 H new ATOM 0 HG23 VAL B 44 -6.235 1.379 -3.986 1.00 0.00 H new ATOM 2001 N LEU B 45 -8.309 -2.579 -4.184 1.00 0.00 N ATOM 2002 CA LEU B 45 -8.666 -3.989 -4.246 1.00 0.00 C ATOM 2003 C LEU B 45 -10.151 -4.211 -3.965 1.00 0.00 C ATOM 2004 O LEU B 45 -10.679 -5.296 -4.206 1.00 0.00 O ATOM 2005 CB LEU B 45 -7.819 -4.792 -3.257 1.00 0.00 C ATOM 2006 CG LEU B 45 -6.304 -4.693 -3.463 1.00 0.00 C ATOM 2007 CD1 LEU B 45 -5.566 -5.440 -2.365 1.00 0.00 C ATOM 2008 CD2 LEU B 45 -5.907 -5.234 -4.830 1.00 0.00 C ATOM 0 H LEU B 45 -7.725 -2.328 -3.386 1.00 0.00 H new ATOM 0 HA LEU B 45 -8.465 -4.335 -5.260 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -8.055 -4.457 -2.247 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -8.110 -5.840 -3.322 1.00 0.00 H new ATOM 0 HG LEU B 45 -6.024 -3.641 -3.416 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -4.491 -5.358 -2.528 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -5.820 -5.008 -1.397 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -5.857 -6.490 -2.381 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -4.827 -5.153 -4.954 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -6.204 -6.280 -4.908 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -6.405 -4.657 -5.609 1.00 0.00 H new ATOM 2020 N ASN B 46 -10.823 -3.189 -3.456 1.00 0.00 N ATOM 2021 CA ASN B 46 -12.232 -3.324 -3.103 1.00 0.00 C ATOM 2022 C ASN B 46 -13.180 -2.755 -4.158 1.00 0.00 C ATOM 2023 O ASN B 46 -14.231 -3.340 -4.410 1.00 0.00 O ATOM 2024 CB ASN B 46 -12.518 -2.663 -1.749 1.00 0.00 C ATOM 2025 CG ASN B 46 -12.343 -3.618 -0.579 1.00 0.00 C ATOM 2026 OD1 ASN B 46 -13.295 -4.275 -0.153 1.00 0.00 O ATOM 2027 ND2 ASN B 46 -11.132 -3.705 -0.054 1.00 0.00 N ATOM 0 H ASN B 46 -10.423 -2.267 -3.279 1.00 0.00 H new ATOM 0 HA ASN B 46 -12.422 -4.396 -3.044 1.00 0.00 H new ATOM 0 HB2 ASN B 46 -11.852 -1.810 -1.618 1.00 0.00 H new ATOM 0 HB3 ASN B 46 -13.537 -2.276 -1.747 1.00 0.00 H new ATOM 0 HD21 ASN B 46 -10.961 -4.333 0.732 1.00 0.00 H new ATOM 0 HD22 ASN B 46 -10.370 -3.145 -0.435 1.00 0.00 H new ATOM 2034 N GLN B 47 -12.834 -1.635 -4.791 1.00 0.00 N ATOM 2035 CA GLN B 47 -13.822 -0.909 -5.585 1.00 0.00 C ATOM 2036 C GLN B 47 -13.171 -0.274 -6.793 1.00 0.00 C ATOM 2037 O GLN B 47 -13.610 0.773 -7.267 1.00 0.00 O ATOM 2038 CB GLN B 47 -14.484 0.192 -4.741 1.00 0.00 C ATOM 2039 CG GLN B 47 -15.214 -0.314 -3.506 1.00 0.00 C ATOM 2040 CD GLN B 47 -15.823 0.806 -2.681 1.00 0.00 C ATOM 2041 OE1 GLN B 47 -15.194 1.973 -2.696 1.00 0.00 O flip ATOM 2042 NE2 GLN B 47 -16.849 0.621 -2.029 1.00 0.00 N flip ATOM 0 H GLN B 47 -11.903 -1.220 -4.772 1.00 0.00 H new ATOM 0 HA GLN B 47 -14.577 -1.623 -5.913 1.00 0.00 H new ATOM 0 HB2 GLN B 47 -13.719 0.903 -4.430 1.00 0.00 H new ATOM 0 HB3 GLN B 47 -15.190 0.737 -5.367 1.00 0.00 H new ATOM 0 HG2 GLN B 47 -16.001 -1.003 -3.812 1.00 0.00 H new ATOM 0 HG3 GLN B 47 -14.519 -0.880 -2.885 1.00 0.00 H new ATOM 0 HE21 GLN B 47 -17.304 -0.292 -2.043 1.00 0.00 H new ATOM 0 HE22 GLN B 47 -17.245 1.380 -1.474 1.00 0.00 H new ATOM 2051 N ARG B 48 -12.132 -0.905 -7.307 1.00 0.00 N ATOM 2052 CA ARG B 48 -11.322 -0.257 -8.315 1.00 0.00 C ATOM 2053 C ARG B 48 -10.580 -1.260 -9.205 1.00 0.00 C ATOM 2054 O ARG B 48 -10.590 -1.131 -10.430 1.00 0.00 O ATOM 2055 CB ARG B 48 -10.363 0.700 -7.602 1.00 0.00 C ATOM 2056 CG ARG B 48 -9.352 1.349 -8.507 1.00 0.00 C ATOM 2057 CD ARG B 48 -8.806 2.645 -7.917 1.00 0.00 C ATOM 2058 NE ARG B 48 -9.864 3.627 -7.680 1.00 0.00 N ATOM 2059 CZ ARG B 48 -9.666 4.937 -7.529 1.00 0.00 C ATOM 2060 NH1 ARG B 48 -8.442 5.452 -7.577 1.00 0.00 N ATOM 2061 NH2 ARG B 48 -10.707 5.730 -7.324 1.00 0.00 N ATOM 0 H ARG B 48 -11.835 -1.846 -7.049 1.00 0.00 H new ATOM 0 HA ARG B 48 -11.966 0.301 -8.995 1.00 0.00 H new ATOM 0 HB2 ARG B 48 -10.945 1.479 -7.109 1.00 0.00 H new ATOM 0 HB3 ARG B 48 -9.836 0.153 -6.821 1.00 0.00 H new ATOM 0 HG2 ARG B 48 -8.529 0.657 -8.686 1.00 0.00 H new ATOM 0 HG3 ARG B 48 -9.811 1.556 -9.474 1.00 0.00 H new ATOM 0 HD2 ARG B 48 -8.295 2.429 -6.979 1.00 0.00 H new ATOM 0 HD3 ARG B 48 -8.064 3.068 -8.595 1.00 0.00 H new ATOM 0 HE ARG B 48 -10.823 3.285 -7.626 1.00 0.00 H new ATOM 0 HH11 ARG B 48 -7.638 4.843 -7.731 1.00 0.00 H new ATOM 0 HH12 ARG B 48 -8.306 6.456 -7.460 1.00 0.00 H new ATOM 0 HH21 ARG B 48 -11.647 5.337 -7.283 1.00 0.00 H new ATOM 0 HH22 ARG B 48 -10.568 6.734 -7.207 1.00 0.00 H new ATOM 2075 N VAL B 49 -9.954 -2.258 -8.601 1.00 0.00 N ATOM 2076 CA VAL B 49 -9.175 -3.238 -9.353 1.00 0.00 C ATOM 2077 C VAL B 49 -10.068 -4.376 -9.863 1.00 0.00 C ATOM 2078 O VAL B 49 -11.198 -4.546 -9.401 1.00 0.00 O ATOM 2079 CB VAL B 49 -8.042 -3.829 -8.480 1.00 0.00 C ATOM 2080 CG1 VAL B 49 -8.566 -4.937 -7.577 1.00 0.00 C ATOM 2081 CG2 VAL B 49 -6.887 -4.330 -9.333 1.00 0.00 C ATOM 0 H VAL B 49 -9.968 -2.413 -7.593 1.00 0.00 H new ATOM 0 HA VAL B 49 -8.737 -2.720 -10.206 1.00 0.00 H new ATOM 0 HB VAL B 49 -7.665 -3.025 -7.847 1.00 0.00 H new ATOM 0 HG11 VAL B 49 -7.748 -5.333 -6.975 1.00 0.00 H new ATOM 0 HG12 VAL B 49 -9.338 -4.537 -6.920 1.00 0.00 H new ATOM 0 HG13 VAL B 49 -8.987 -5.735 -8.188 1.00 0.00 H new ATOM 0 HG21 VAL B 49 -6.109 -4.738 -8.688 1.00 0.00 H new ATOM 0 HG22 VAL B 49 -7.244 -5.108 -10.008 1.00 0.00 H new ATOM 0 HG23 VAL B 49 -6.479 -3.503 -9.915 1.00 0.00 H new ATOM 2091 N ALA B 50 -9.556 -5.150 -10.815 1.00 0.00 N ATOM 2092 CA ALA B 50 -10.261 -6.320 -11.316 1.00 0.00 C ATOM 2093 C ALA B 50 -10.111 -7.488 -10.350 1.00 0.00 C ATOM 2094 O ALA B 50 -9.038 -7.695 -9.794 1.00 0.00 O ATOM 2095 CB ALA B 50 -9.734 -6.704 -12.688 1.00 0.00 C ATOM 0 H ALA B 50 -8.651 -4.985 -11.255 1.00 0.00 H new ATOM 0 HA ALA B 50 -11.320 -6.075 -11.402 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -10.270 -7.581 -13.051 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -9.883 -5.875 -13.380 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -8.670 -6.932 -12.618 1.00 0.00 H new ATOM 2101 N ALA B 51 -11.190 -8.236 -10.147 1.00 0.00 N ATOM 2102 CA ALA B 51 -11.175 -9.419 -9.295 1.00 0.00 C ATOM 2103 C ALA B 51 -10.098 -10.409 -9.730 1.00 0.00 C ATOM 2104 O ALA B 51 -9.366 -10.945 -8.898 1.00 0.00 O ATOM 2105 CB ALA B 51 -12.542 -10.091 -9.308 1.00 0.00 C ATOM 0 H ALA B 51 -12.098 -8.040 -10.568 1.00 0.00 H new ATOM 0 HA ALA B 51 -10.941 -9.097 -8.280 1.00 0.00 H new ATOM 0 HB1 ALA B 51 -12.520 -10.973 -8.669 1.00 0.00 H new ATOM 0 HB2 ALA B 51 -13.294 -9.394 -8.938 1.00 0.00 H new ATOM 0 HB3 ALA B 51 -12.792 -10.387 -10.327 1.00 0.00 H new ATOM 2111 N SER B 52 -10.004 -10.641 -11.033 1.00 0.00 N ATOM 2112 CA SER B 52 -9.024 -11.567 -11.586 1.00 0.00 C ATOM 2113 C SER B 52 -7.606 -11.015 -11.439 1.00 0.00 C ATOM 2114 O SER B 52 -6.648 -11.764 -11.247 1.00 0.00 O ATOM 2115 CB SER B 52 -9.344 -11.821 -13.059 1.00 0.00 C ATOM 2116 OG SER B 52 -10.722 -12.110 -13.227 1.00 0.00 O ATOM 0 H SER B 52 -10.600 -10.197 -11.732 1.00 0.00 H new ATOM 0 HA SER B 52 -9.076 -12.506 -11.034 1.00 0.00 H new ATOM 0 HB2 SER B 52 -9.075 -10.946 -13.651 1.00 0.00 H new ATOM 0 HB3 SER B 52 -8.745 -12.653 -13.429 1.00 0.00 H new ATOM 0 HG SER B 52 -10.910 -12.268 -14.176 1.00 0.00 H new ATOM 2122 N GLN B 53 -7.489 -9.696 -11.496 1.00 0.00 N ATOM 2123 CA GLN B 53 -6.195 -9.033 -11.405 1.00 0.00 C ATOM 2124 C GLN B 53 -5.798 -8.863 -9.945 1.00 0.00 C ATOM 2125 O GLN B 53 -4.640 -8.645 -9.626 1.00 0.00 O ATOM 2126 CB GLN B 53 -6.268 -7.655 -12.073 1.00 0.00 C ATOM 2127 CG GLN B 53 -4.910 -7.058 -12.410 1.00 0.00 C ATOM 2128 CD GLN B 53 -4.078 -7.968 -13.291 1.00 0.00 C ATOM 2129 OE1 GLN B 53 -3.300 -8.783 -12.801 1.00 0.00 O ATOM 2130 NE2 GLN B 53 -4.242 -7.842 -14.596 1.00 0.00 N ATOM 0 H GLN B 53 -8.279 -9.060 -11.605 1.00 0.00 H new ATOM 0 HA GLN B 53 -5.450 -9.646 -11.913 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -6.855 -7.737 -12.988 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -6.801 -6.970 -11.413 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -5.052 -6.101 -12.913 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -4.367 -6.855 -11.487 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -4.898 -7.153 -14.963 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -3.712 -8.434 -15.236 1.00 0.00 H new ATOM 2139 N ARG B 54 -6.779 -9.011 -9.073 1.00 0.00 N ATOM 2140 CA ARG B 54 -6.663 -8.634 -7.670 1.00 0.00 C ATOM 2141 C ARG B 54 -5.509 -9.340 -6.954 1.00 0.00 C ATOM 2142 O ARG B 54 -4.677 -8.687 -6.327 1.00 0.00 O ATOM 2143 CB ARG B 54 -7.994 -8.917 -6.981 1.00 0.00 C ATOM 2144 CG ARG B 54 -8.105 -8.372 -5.573 1.00 0.00 C ATOM 2145 CD ARG B 54 -9.504 -7.838 -5.308 1.00 0.00 C ATOM 2146 NE ARG B 54 -10.550 -8.741 -5.796 1.00 0.00 N ATOM 2147 CZ ARG B 54 -11.854 -8.459 -5.762 1.00 0.00 C ATOM 2148 NH1 ARG B 54 -12.277 -7.290 -5.298 1.00 0.00 N ATOM 2149 NH2 ARG B 54 -12.732 -9.354 -6.194 1.00 0.00 N ATOM 0 H ARG B 54 -7.689 -9.400 -9.318 1.00 0.00 H new ATOM 0 HA ARG B 54 -6.430 -7.570 -7.619 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -8.797 -8.494 -7.584 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -8.151 -9.995 -6.952 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -7.869 -9.157 -4.855 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -7.374 -7.577 -5.428 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -9.633 -7.682 -4.237 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -9.615 -6.865 -5.787 1.00 0.00 H new ATOM 0 HE ARG B 54 -10.264 -9.639 -6.185 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -11.604 -6.600 -4.964 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -13.275 -7.081 -5.275 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -12.410 -10.254 -6.550 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -13.730 -9.143 -6.170 1.00 0.00 H new ATOM 2163 N LYS B 55 -5.446 -10.661 -7.048 1.00 0.00 N ATOM 2164 CA LYS B 55 -4.390 -11.406 -6.367 1.00 0.00 C ATOM 2165 C LYS B 55 -3.053 -11.260 -7.085 1.00 0.00 C ATOM 2166 O LYS B 55 -2.001 -11.245 -6.446 1.00 0.00 O ATOM 2167 CB LYS B 55 -4.755 -12.887 -6.226 1.00 0.00 C ATOM 2168 CG LYS B 55 -5.608 -13.193 -5.002 1.00 0.00 C ATOM 2169 CD LYS B 55 -4.920 -12.741 -3.716 1.00 0.00 C ATOM 2170 CE LYS B 55 -5.658 -13.214 -2.470 1.00 0.00 C ATOM 2171 NZ LYS B 55 -5.501 -14.677 -2.242 1.00 0.00 N ATOM 0 H LYS B 55 -6.101 -11.234 -7.580 1.00 0.00 H new ATOM 0 HA LYS B 55 -4.291 -10.980 -5.369 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -5.290 -13.207 -7.120 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -3.838 -13.475 -6.175 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -6.573 -12.694 -5.095 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -5.806 -14.264 -4.953 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -3.899 -13.123 -3.699 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -4.853 -11.653 -3.705 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -5.285 -12.671 -1.601 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -6.717 -12.975 -2.565 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -5.948 -14.938 -1.340 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -5.956 -15.200 -3.018 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -4.490 -14.917 -2.209 1.00 0.00 H new ATOM 2185 N LEU B 56 -3.097 -11.128 -8.405 1.00 0.00 N ATOM 2186 CA LEU B 56 -1.878 -11.000 -9.195 1.00 0.00 C ATOM 2187 C LEU B 56 -1.228 -9.646 -8.921 1.00 0.00 C ATOM 2188 O LEU B 56 -0.046 -9.571 -8.590 1.00 0.00 O ATOM 2189 CB LEU B 56 -2.194 -11.160 -10.693 1.00 0.00 C ATOM 2190 CG LEU B 56 -1.008 -11.526 -11.607 1.00 0.00 C ATOM 2191 CD1 LEU B 56 -1.501 -11.823 -13.013 1.00 0.00 C ATOM 2192 CD2 LEU B 56 0.030 -10.414 -11.661 1.00 0.00 C ATOM 0 H LEU B 56 -3.959 -11.107 -8.949 1.00 0.00 H new ATOM 0 HA LEU B 56 -1.181 -11.788 -8.910 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -2.959 -11.929 -10.801 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -2.627 -10.227 -11.053 1.00 0.00 H new ATOM 0 HG LEU B 56 -0.535 -12.413 -11.185 1.00 0.00 H new ATOM 0 HD11 LEU B 56 -0.654 -12.080 -13.649 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -2.200 -12.659 -12.984 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -2.003 -10.943 -13.416 1.00 0.00 H new ATOM 0 HD21 LEU B 56 0.849 -10.712 -12.316 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -0.431 -9.505 -12.047 1.00 0.00 H new ATOM 0 HD23 LEU B 56 0.416 -10.228 -10.659 1.00 0.00 H new ATOM 2204 N ILE B 57 -2.016 -8.583 -9.027 1.00 0.00 N ATOM 2205 CA ILE B 57 -1.508 -7.230 -8.856 1.00 0.00 C ATOM 2206 C ILE B 57 -1.058 -7.006 -7.413 1.00 0.00 C ATOM 2207 O ILE B 57 -0.137 -6.233 -7.159 1.00 0.00 O ATOM 2208 CB ILE B 57 -2.564 -6.173 -9.271 1.00 0.00 C ATOM 2209 CG1 ILE B 57 -1.903 -4.815 -9.518 1.00 0.00 C ATOM 2210 CG2 ILE B 57 -3.654 -6.044 -8.215 1.00 0.00 C ATOM 2211 CD1 ILE B 57 -2.839 -3.795 -10.133 1.00 0.00 C ATOM 0 H ILE B 57 -3.014 -8.634 -9.232 1.00 0.00 H new ATOM 0 HA ILE B 57 -0.645 -7.111 -9.512 1.00 0.00 H new ATOM 0 HB ILE B 57 -3.025 -6.510 -10.199 1.00 0.00 H new ATOM 0 HG12 ILE B 57 -1.524 -4.426 -8.573 1.00 0.00 H new ATOM 0 HG13 ILE B 57 -1.044 -4.951 -10.174 1.00 0.00 H new ATOM 0 HG21 ILE B 57 -4.381 -5.296 -8.532 1.00 0.00 H new ATOM 0 HG22 ILE B 57 -4.153 -7.005 -8.088 1.00 0.00 H new ATOM 0 HG23 ILE B 57 -3.209 -5.739 -7.268 1.00 0.00 H new ATOM 0 HD11 ILE B 57 -2.307 -2.856 -10.281 1.00 0.00 H new ATOM 0 HD12 ILE B 57 -3.199 -4.164 -11.094 1.00 0.00 H new ATOM 0 HD13 ILE B 57 -3.686 -3.631 -9.467 1.00 0.00 H new ATOM 2223 N ALA B 58 -1.693 -7.707 -6.478 1.00 0.00 N ATOM 2224 CA ALA B 58 -1.304 -7.635 -5.077 1.00 0.00 C ATOM 2225 C ALA B 58 0.034 -8.333 -4.859 1.00 0.00 C ATOM 2226 O ALA B 58 0.890 -7.841 -4.122 1.00 0.00 O ATOM 2227 CB ALA B 58 -2.376 -8.243 -4.188 1.00 0.00 C ATOM 0 H ALA B 58 -2.478 -8.330 -6.667 1.00 0.00 H new ATOM 0 HA ALA B 58 -1.194 -6.585 -4.806 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -2.064 -8.178 -3.146 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -3.311 -7.699 -4.321 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -2.523 -9.289 -4.458 1.00 0.00 H new ATOM 2233 N GLU B 59 0.212 -9.480 -5.509 1.00 0.00 N ATOM 2234 CA GLU B 59 1.478 -10.199 -5.456 1.00 0.00 C ATOM 2235 C GLU B 59 2.570 -9.376 -6.131 1.00 0.00 C ATOM 2236 O GLU B 59 3.691 -9.276 -5.627 1.00 0.00 O ATOM 2237 CB GLU B 59 1.350 -11.568 -6.134 1.00 0.00 C ATOM 2238 CG GLU B 59 2.647 -12.356 -6.150 1.00 0.00 C ATOM 2239 CD GLU B 59 2.495 -13.727 -6.767 1.00 0.00 C ATOM 2240 OE1 GLU B 59 2.567 -13.841 -8.009 1.00 0.00 O ATOM 2241 OE2 GLU B 59 2.321 -14.704 -6.012 1.00 0.00 O ATOM 0 H GLU B 59 -0.505 -9.930 -6.078 1.00 0.00 H new ATOM 0 HA GLU B 59 1.746 -10.358 -4.411 1.00 0.00 H new ATOM 0 HB2 GLU B 59 0.586 -12.150 -5.619 1.00 0.00 H new ATOM 0 HB3 GLU B 59 1.006 -11.427 -7.159 1.00 0.00 H new ATOM 0 HG2 GLU B 59 3.400 -11.795 -6.704 1.00 0.00 H new ATOM 0 HG3 GLU B 59 3.015 -12.461 -5.129 1.00 0.00 H new ATOM 2248 N LYS B 60 2.221 -8.784 -7.267 1.00 0.00 N ATOM 2249 CA LYS B 60 3.119 -7.896 -7.988 1.00 0.00 C ATOM 2250 C LYS B 60 3.526 -6.732 -7.091 1.00 0.00 C ATOM 2251 O LYS B 60 4.693 -6.349 -7.044 1.00 0.00 O ATOM 2252 CB LYS B 60 2.436 -7.374 -9.262 1.00 0.00 C ATOM 2253 CG LYS B 60 3.354 -6.562 -10.167 1.00 0.00 C ATOM 2254 CD LYS B 60 2.677 -6.181 -11.479 1.00 0.00 C ATOM 2255 CE LYS B 60 1.604 -5.116 -11.292 1.00 0.00 C ATOM 2256 NZ LYS B 60 1.054 -4.663 -12.600 1.00 0.00 N ATOM 0 H LYS B 60 1.311 -8.906 -7.711 1.00 0.00 H new ATOM 0 HA LYS B 60 4.013 -8.450 -8.275 1.00 0.00 H new ATOM 0 HB2 LYS B 60 2.044 -8.221 -9.825 1.00 0.00 H new ATOM 0 HB3 LYS B 60 1.583 -6.757 -8.978 1.00 0.00 H new ATOM 0 HG2 LYS B 60 3.668 -5.658 -9.646 1.00 0.00 H new ATOM 0 HG3 LYS B 60 4.255 -7.138 -10.379 1.00 0.00 H new ATOM 0 HD2 LYS B 60 3.428 -5.817 -12.180 1.00 0.00 H new ATOM 0 HD3 LYS B 60 2.229 -7.069 -11.925 1.00 0.00 H new ATOM 0 HE2 LYS B 60 0.798 -5.514 -10.675 1.00 0.00 H new ATOM 0 HE3 LYS B 60 2.024 -4.264 -10.758 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 0.280 -3.988 -12.436 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 1.805 -4.201 -13.151 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 0.693 -5.483 -13.127 1.00 0.00 H new ATOM 2270 N PHE B 61 2.548 -6.194 -6.371 1.00 0.00 N ATOM 2271 CA PHE B 61 2.782 -5.119 -5.418 1.00 0.00 C ATOM 2272 C PHE B 61 3.742 -5.562 -4.320 1.00 0.00 C ATOM 2273 O PHE B 61 4.765 -4.922 -4.088 1.00 0.00 O ATOM 2274 CB PHE B 61 1.453 -4.673 -4.807 1.00 0.00 C ATOM 2275 CG PHE B 61 1.596 -3.700 -3.673 1.00 0.00 C ATOM 2276 CD1 PHE B 61 1.899 -2.374 -3.915 1.00 0.00 C ATOM 2277 CD2 PHE B 61 1.425 -4.119 -2.365 1.00 0.00 C ATOM 2278 CE1 PHE B 61 2.027 -1.480 -2.871 1.00 0.00 C ATOM 2279 CE2 PHE B 61 1.553 -3.230 -1.319 1.00 0.00 C ATOM 2280 CZ PHE B 61 1.854 -1.908 -1.571 1.00 0.00 C ATOM 0 H PHE B 61 1.574 -6.491 -6.432 1.00 0.00 H new ATOM 0 HA PHE B 61 3.237 -4.281 -5.946 1.00 0.00 H new ATOM 0 HB2 PHE B 61 0.841 -4.219 -5.586 1.00 0.00 H new ATOM 0 HB3 PHE B 61 0.915 -5.552 -4.452 1.00 0.00 H new ATOM 0 HD1 PHE B 61 2.037 -2.034 -4.931 1.00 0.00 H new ATOM 0 HD2 PHE B 61 1.189 -5.153 -2.162 1.00 0.00 H new ATOM 0 HE1 PHE B 61 2.263 -0.445 -3.072 1.00 0.00 H new ATOM 0 HE2 PHE B 61 1.418 -3.569 -0.303 1.00 0.00 H new ATOM 0 HZ PHE B 61 1.954 -1.210 -0.753 1.00 0.00 H new ATOM 2290 N ALA B 62 3.410 -6.660 -3.650 1.00 0.00 N ATOM 2291 CA ALA B 62 4.231 -7.166 -2.556 1.00 0.00 C ATOM 2292 C ALA B 62 5.651 -7.466 -3.023 1.00 0.00 C ATOM 2293 O ALA B 62 6.616 -7.116 -2.350 1.00 0.00 O ATOM 2294 CB ALA B 62 3.596 -8.409 -1.948 1.00 0.00 C ATOM 0 H ALA B 62 2.578 -7.217 -3.845 1.00 0.00 H new ATOM 0 HA ALA B 62 4.288 -6.391 -1.792 1.00 0.00 H new ATOM 0 HB1 ALA B 62 4.220 -8.775 -1.133 1.00 0.00 H new ATOM 0 HB2 ALA B 62 2.606 -8.161 -1.564 1.00 0.00 H new ATOM 0 HB3 ALA B 62 3.506 -9.182 -2.711 1.00 0.00 H new ATOM 2300 N GLN B 63 5.773 -8.094 -4.187 1.00 0.00 N ATOM 2301 CA GLN B 63 7.080 -8.425 -4.745 1.00 0.00 C ATOM 2302 C GLN B 63 7.871 -7.158 -5.048 1.00 0.00 C ATOM 2303 O GLN B 63 9.066 -7.078 -4.764 1.00 0.00 O ATOM 2304 CB GLN B 63 6.925 -9.258 -6.019 1.00 0.00 C ATOM 2305 CG GLN B 63 7.490 -10.668 -5.909 1.00 0.00 C ATOM 2306 CD GLN B 63 6.818 -11.504 -4.831 1.00 0.00 C ATOM 2307 OE1 GLN B 63 7.449 -12.369 -4.223 1.00 0.00 O ATOM 2308 NE2 GLN B 63 5.536 -11.266 -4.589 1.00 0.00 N ATOM 0 H GLN B 63 4.983 -8.384 -4.763 1.00 0.00 H new ATOM 0 HA GLN B 63 7.625 -9.011 -4.005 1.00 0.00 H new ATOM 0 HB2 GLN B 63 5.867 -9.320 -6.274 1.00 0.00 H new ATOM 0 HB3 GLN B 63 7.421 -8.742 -6.841 1.00 0.00 H new ATOM 0 HG2 GLN B 63 7.381 -11.171 -6.870 1.00 0.00 H new ATOM 0 HG3 GLN B 63 8.558 -10.608 -5.700 1.00 0.00 H new ATOM 0 HE21 GLN B 63 5.044 -10.541 -5.112 1.00 0.00 H new ATOM 0 HE22 GLN B 63 5.042 -11.808 -3.880 1.00 0.00 H new ATOM 2317 N ALA B 64 7.195 -6.166 -5.617 1.00 0.00 N ATOM 2318 CA ALA B 64 7.828 -4.892 -5.922 1.00 0.00 C ATOM 2319 C ALA B 64 8.233 -4.177 -4.640 1.00 0.00 C ATOM 2320 O ALA B 64 9.305 -3.586 -4.558 1.00 0.00 O ATOM 2321 CB ALA B 64 6.903 -4.014 -6.747 1.00 0.00 C ATOM 0 H ALA B 64 6.210 -6.221 -5.875 1.00 0.00 H new ATOM 0 HA ALA B 64 8.725 -5.090 -6.508 1.00 0.00 H new ATOM 0 HB1 ALA B 64 7.397 -3.067 -6.963 1.00 0.00 H new ATOM 0 HB2 ALA B 64 6.661 -4.519 -7.682 1.00 0.00 H new ATOM 0 HB3 ALA B 64 5.986 -3.826 -6.188 1.00 0.00 H new ATOM 2327 N LEU B 65 7.374 -4.256 -3.634 1.00 0.00 N ATOM 2328 CA LEU B 65 7.642 -3.629 -2.352 1.00 0.00 C ATOM 2329 C LEU B 65 8.833 -4.290 -1.662 1.00 0.00 C ATOM 2330 O LEU B 65 9.633 -3.619 -1.016 1.00 0.00 O ATOM 2331 CB LEU B 65 6.404 -3.699 -1.456 1.00 0.00 C ATOM 2332 CG LEU B 65 6.465 -2.831 -0.198 1.00 0.00 C ATOM 2333 CD1 LEU B 65 6.698 -1.379 -0.579 1.00 0.00 C ATOM 2334 CD2 LEU B 65 5.183 -2.968 0.610 1.00 0.00 C ATOM 0 H LEU B 65 6.483 -4.750 -3.683 1.00 0.00 H new ATOM 0 HA LEU B 65 7.888 -2.582 -2.530 1.00 0.00 H new ATOM 0 HB2 LEU B 65 5.533 -3.403 -2.041 1.00 0.00 H new ATOM 0 HB3 LEU B 65 6.249 -4.736 -1.157 1.00 0.00 H new ATOM 0 HG LEU B 65 7.296 -3.171 0.420 1.00 0.00 H new ATOM 0 HD11 LEU B 65 6.740 -0.768 0.323 1.00 0.00 H new ATOM 0 HD12 LEU B 65 7.640 -1.292 -1.121 1.00 0.00 H new ATOM 0 HD13 LEU B 65 5.881 -1.034 -1.213 1.00 0.00 H new ATOM 0 HD21 LEU B 65 5.246 -2.343 1.501 1.00 0.00 H new ATOM 0 HD22 LEU B 65 4.335 -2.651 0.003 1.00 0.00 H new ATOM 0 HD23 LEU B 65 5.049 -4.009 0.906 1.00 0.00 H new ATOM 2346 N MET B 66 8.951 -5.607 -1.817 1.00 0.00 N ATOM 2347 CA MET B 66 10.074 -6.345 -1.240 1.00 0.00 C ATOM 2348 C MET B 66 11.374 -5.972 -1.936 1.00 0.00 C ATOM 2349 O MET B 66 12.420 -5.864 -1.302 1.00 0.00 O ATOM 2350 CB MET B 66 9.855 -7.860 -1.342 1.00 0.00 C ATOM 2351 CG MET B 66 8.725 -8.404 -0.474 1.00 0.00 C ATOM 2352 SD MET B 66 8.927 -8.025 1.280 1.00 0.00 S ATOM 2353 CE MET B 66 8.096 -6.441 1.380 1.00 0.00 C ATOM 0 H MET B 66 8.287 -6.183 -2.334 1.00 0.00 H new ATOM 0 HA MET B 66 10.138 -6.072 -0.187 1.00 0.00 H new ATOM 0 HB2 MET B 66 9.650 -8.114 -2.382 1.00 0.00 H new ATOM 0 HB3 MET B 66 10.781 -8.366 -1.067 1.00 0.00 H new ATOM 0 HG2 MET B 66 7.778 -7.991 -0.821 1.00 0.00 H new ATOM 0 HG3 MET B 66 8.667 -9.485 -0.601 1.00 0.00 H new ATOM 0 HE1 MET B 66 8.794 -5.686 1.742 1.00 0.00 H new ATOM 0 HE2 MET B 66 7.734 -6.157 0.392 1.00 0.00 H new ATOM 0 HE3 MET B 66 7.253 -6.515 2.067 1.00 0.00 H new ATOM 2363 N SER B 67 11.295 -5.754 -3.241 1.00 0.00 N ATOM 2364 CA SER B 67 12.467 -5.410 -4.032 1.00 0.00 C ATOM 2365 C SER B 67 12.773 -3.912 -3.940 1.00 0.00 C ATOM 2366 O SER B 67 13.805 -3.443 -4.431 1.00 0.00 O ATOM 2367 CB SER B 67 12.263 -5.848 -5.486 1.00 0.00 C ATOM 2368 OG SER B 67 10.964 -5.518 -5.945 1.00 0.00 O ATOM 0 H SER B 67 10.428 -5.810 -3.776 1.00 0.00 H new ATOM 0 HA SER B 67 13.329 -5.942 -3.629 1.00 0.00 H new ATOM 0 HB2 SER B 67 13.008 -5.368 -6.121 1.00 0.00 H new ATOM 0 HB3 SER B 67 12.418 -6.924 -5.569 1.00 0.00 H new ATOM 0 HG SER B 67 10.323 -6.183 -5.618 1.00 0.00 H new ATOM 2374 N SER B 68 11.868 -3.166 -3.312 1.00 0.00 N ATOM 2375 CA SER B 68 12.089 -1.751 -3.053 1.00 0.00 C ATOM 2376 C SER B 68 12.461 -1.538 -1.587 1.00 0.00 C ATOM 2377 O SER B 68 12.726 -0.415 -1.148 1.00 0.00 O ATOM 2378 CB SER B 68 10.837 -0.948 -3.405 1.00 0.00 C ATOM 2379 OG SER B 68 10.439 -1.187 -4.746 1.00 0.00 O ATOM 0 H SER B 68 10.974 -3.521 -2.973 1.00 0.00 H new ATOM 0 HA SER B 68 12.912 -1.403 -3.677 1.00 0.00 H new ATOM 0 HB2 SER B 68 10.026 -1.217 -2.728 1.00 0.00 H new ATOM 0 HB3 SER B 68 11.031 0.115 -3.264 1.00 0.00 H new ATOM 0 HG SER B 68 10.001 -2.061 -4.806 1.00 0.00 H new ATOM 2385 N LEU B 69 12.473 -2.631 -0.831 1.00 0.00 N ATOM 2386 CA LEU B 69 12.868 -2.591 0.565 1.00 0.00 C ATOM 2387 C LEU B 69 14.385 -2.504 0.632 1.00 0.00 C ATOM 2388 O LEU B 69 15.085 -3.504 0.466 1.00 0.00 O ATOM 2389 CB LEU B 69 12.345 -3.838 1.302 1.00 0.00 C ATOM 2390 CG LEU B 69 12.343 -3.772 2.837 1.00 0.00 C ATOM 2391 CD1 LEU B 69 11.454 -4.867 3.403 1.00 0.00 C ATOM 2392 CD2 LEU B 69 13.751 -3.904 3.401 1.00 0.00 C ATOM 0 H LEU B 69 12.212 -3.558 -1.167 1.00 0.00 H new ATOM 0 HA LEU B 69 12.437 -1.719 1.056 1.00 0.00 H new ATOM 0 HB2 LEU B 69 11.326 -4.031 0.967 1.00 0.00 H new ATOM 0 HB3 LEU B 69 12.948 -4.693 0.997 1.00 0.00 H new ATOM 0 HG LEU B 69 11.952 -2.798 3.131 1.00 0.00 H new ATOM 0 HD11 LEU B 69 11.458 -4.813 4.492 1.00 0.00 H new ATOM 0 HD12 LEU B 69 10.436 -4.734 3.037 1.00 0.00 H new ATOM 0 HD13 LEU B 69 11.829 -5.840 3.087 1.00 0.00 H new ATOM 0 HD21 LEU B 69 13.713 -3.853 4.489 1.00 0.00 H new ATOM 0 HD22 LEU B 69 14.177 -4.860 3.097 1.00 0.00 H new ATOM 0 HD23 LEU B 69 14.373 -3.093 3.021 1.00 0.00 H new