USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 844 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: C 13 ASN : amide:sc= -0.0791 K(o=-0.063,f=-1.9!) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc= 0.0156 USER MOD Set 2.1: C 11 SER OG : rot 180:sc= 0 USER MOD Set 2.2: C 21 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 13 ASN : amide:sc= -0.299 K(o=-0.3,f=-1.6!) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 11 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -129:sc= -0.0916 (180deg=-0.532) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN :FLIP amide:sc= -0.229 F(o=-0.96,f=-0.23) USER MOD Single : A 29 GLN : amide:sc=-0.00125 X(o=-0.0012,f=-0.44) USER MOD Single : A 35 ASN : amide:sc= -0.0767 K(o=-0.077,f=-2.1!) USER MOD Single : A 38 LYS NZ :NH3+ -102:sc= -0.71 (180deg=-2.61!) USER MOD Single : A 43 HIS : no HE2:sc= -0.967 X(o=-0.97,f=-1.5) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 1 K(o=1,f=0) USER MOD Single : C 1 MET CE :methyl 174:sc=-0.00399 (180deg=-0.0329) USER MOD Single : C 1 MET N :NH3+ 138:sc= 0.00323 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0.00194 USER MOD Single : C 7 LYS NZ :NH3+ -163:sc= -0.0353 (180deg=-0.278) USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN : amide:sc= -0.65 X(o=-0.65,f=-0.44) USER MOD Single : C 29 GLN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : C 35 ASN : amide:sc= -0.0235 K(o=-0.024,f=-1.7) USER MOD Single : C 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 HIS : no HE2:sc= -1.36 K(o=-1.4,f=-2.5) USER MOD Single : C 48 TYR OH : rot 8:sc= 0.922 USER MOD Single : C 49 GLN : amide:sc= 0.788 K(o=0.79,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.873 3.104 -1.946 1.00 0.00 N ATOM 2 CA MET A 1 -11.897 2.525 -1.001 1.00 0.00 C ATOM 3 C MET A 1 -11.969 1.009 -1.023 1.00 0.00 C ATOM 4 O MET A 1 -13.050 0.448 -0.876 1.00 0.00 O ATOM 5 CB MET A 1 -12.165 3.002 0.425 1.00 0.00 C ATOM 6 CG MET A 1 -11.223 2.326 1.423 1.00 0.00 C ATOM 7 SD MET A 1 -9.508 2.890 1.353 1.00 0.00 S ATOM 8 CE MET A 1 -9.696 4.365 2.383 1.00 0.00 C ATOM 0 H1 MET A 1 -12.810 4.142 -1.918 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.664 2.770 -2.909 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.833 2.808 -1.678 1.00 0.00 H new ATOM 0 HA MET A 1 -10.906 2.855 -1.314 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.040 4.083 0.479 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.199 2.787 0.694 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.604 2.493 2.430 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.244 1.250 1.249 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.735 4.872 2.471 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.421 5.038 1.926 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.045 4.075 3.374 1.00 0.00 H new ATOM 20 N LEU A 2 -10.829 0.344 -1.196 1.00 0.00 N ATOM 21 CA LEU A 2 -10.735 -1.103 -1.122 1.00 0.00 C ATOM 22 C LEU A 2 -9.622 -1.421 -0.126 1.00 0.00 C ATOM 23 O LEU A 2 -8.448 -1.182 -0.408 1.00 0.00 O ATOM 24 CB LEU A 2 -10.473 -1.646 -2.532 1.00 0.00 C ATOM 25 CG LEU A 2 -10.555 -3.173 -2.678 1.00 0.00 C ATOM 26 CD1 LEU A 2 -9.151 -3.750 -2.725 1.00 0.00 C ATOM 27 CD2 LEU A 2 -11.313 -3.885 -1.562 1.00 0.00 C ATOM 0 H LEU A 2 -9.940 0.803 -1.393 1.00 0.00 H new ATOM 0 HA LEU A 2 -11.651 -1.579 -0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.191 -1.194 -3.216 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -9.482 -1.321 -2.850 1.00 0.00 H new ATOM 0 HG LEU A 2 -11.112 -3.344 -3.599 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.206 -4.834 -2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.614 -3.331 -3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.624 -3.500 -1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -11.317 -4.958 -1.752 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -10.825 -3.688 -0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -12.339 -3.518 -1.528 1.00 0.00 H new ATOM 39 N ILE A 3 -9.997 -1.957 1.041 1.00 0.00 N ATOM 40 CA ILE A 3 -9.054 -2.308 2.089 1.00 0.00 C ATOM 41 C ILE A 3 -8.543 -3.725 1.861 1.00 0.00 C ATOM 42 O ILE A 3 -9.265 -4.586 1.361 1.00 0.00 O ATOM 43 CB ILE A 3 -9.712 -2.242 3.482 1.00 0.00 C ATOM 44 CG1 ILE A 3 -10.101 -0.815 3.881 1.00 0.00 C ATOM 45 CG2 ILE A 3 -8.706 -2.727 4.529 1.00 0.00 C ATOM 46 CD1 ILE A 3 -11.510 -0.463 3.416 1.00 0.00 C ATOM 0 H ILE A 3 -10.969 -2.157 1.278 1.00 0.00 H new ATOM 0 HA ILE A 3 -8.233 -1.592 2.053 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.609 -2.860 3.438 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.039 -0.710 4.964 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.389 -0.110 3.451 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.161 -2.684 5.518 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.416 -3.754 4.307 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -7.823 -2.088 4.508 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -11.749 0.557 3.718 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -11.565 -0.542 2.330 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -12.225 -1.152 3.867 1.00 0.00 H new ATOM 58 N LEU A 4 -7.285 -3.947 2.240 1.00 0.00 N ATOM 59 CA LEU A 4 -6.657 -5.255 2.231 1.00 0.00 C ATOM 60 C LEU A 4 -5.785 -5.361 3.476 1.00 0.00 C ATOM 61 O LEU A 4 -5.339 -4.347 4.015 1.00 0.00 O ATOM 62 CB LEU A 4 -5.810 -5.416 0.965 1.00 0.00 C ATOM 63 CG LEU A 4 -6.642 -5.429 -0.322 1.00 0.00 C ATOM 64 CD1 LEU A 4 -5.719 -5.424 -1.541 1.00 0.00 C ATOM 65 CD2 LEU A 4 -7.512 -6.685 -0.402 1.00 0.00 C ATOM 0 H LEU A 4 -6.667 -3.204 2.567 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.409 -6.044 2.235 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.087 -4.602 0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.242 -6.344 1.032 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.275 -4.542 -0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.318 -5.433 -2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.099 -4.528 -1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.081 -6.307 -1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.092 -6.668 -1.325 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.876 -7.570 -0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.190 -6.713 0.451 1.00 0.00 H new ATOM 77 N THR A 5 -5.534 -6.586 3.933 1.00 0.00 N ATOM 78 CA THR A 5 -4.658 -6.826 5.074 1.00 0.00 C ATOM 79 C THR A 5 -3.487 -7.677 4.624 1.00 0.00 C ATOM 80 O THR A 5 -3.651 -8.587 3.811 1.00 0.00 O ATOM 81 CB THR A 5 -5.394 -7.541 6.209 1.00 0.00 C ATOM 82 OG1 THR A 5 -6.178 -8.605 5.717 1.00 0.00 O ATOM 83 CG2 THR A 5 -6.291 -6.568 6.961 1.00 0.00 C ATOM 0 H THR A 5 -5.929 -7.433 3.525 1.00 0.00 H new ATOM 0 HA THR A 5 -4.313 -5.863 5.450 1.00 0.00 H new ATOM 0 HB THR A 5 -4.640 -7.941 6.887 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.636 -9.046 6.463 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.806 -7.095 7.764 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.685 -5.766 7.383 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.025 -6.145 6.275 1.00 0.00 H new ATOM 91 N ARG A 6 -2.298 -7.381 5.149 1.00 0.00 N ATOM 92 CA ARG A 6 -1.113 -8.150 4.806 1.00 0.00 C ATOM 93 C ARG A 6 -0.110 -8.167 5.944 1.00 0.00 C ATOM 94 O ARG A 6 -0.219 -7.369 6.870 1.00 0.00 O ATOM 95 CB ARG A 6 -0.504 -7.574 3.530 1.00 0.00 C ATOM 96 CG ARG A 6 -0.477 -8.685 2.486 1.00 0.00 C ATOM 97 CD ARG A 6 -0.242 -8.111 1.093 1.00 0.00 C ATOM 98 NE ARG A 6 1.035 -7.394 0.977 1.00 0.00 N ATOM 99 CZ ARG A 6 1.194 -6.072 1.096 1.00 0.00 C ATOM 100 NH1 ARG A 6 0.206 -5.288 1.509 1.00 0.00 N ATOM 101 NH2 ARG A 6 2.364 -5.522 0.797 1.00 0.00 N ATOM 0 H ARG A 6 -2.135 -6.619 5.808 1.00 0.00 H new ATOM 0 HA ARG A 6 -1.397 -9.188 4.632 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -1.092 -6.729 3.173 1.00 0.00 H new ATOM 0 HB3 ARG A 6 0.503 -7.204 3.720 1.00 0.00 H new ATOM 0 HG2 ARG A 6 0.310 -9.399 2.728 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.420 -9.232 2.505 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.266 -8.921 0.363 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.058 -7.433 0.843 1.00 0.00 H new ATOM 0 HE ARG A 6 1.869 -7.951 0.790 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.701 -5.691 1.744 1.00 0.00 H new ATOM 0 HH12 ARG A 6 0.354 -4.282 1.591 1.00 0.00 H new ATOM 0 HH21 ARG A 6 3.136 -6.107 0.478 1.00 0.00 H new ATOM 0 HH22 ARG A 6 2.491 -4.514 0.886 1.00 0.00 H new ATOM 115 N LYS A 7 0.861 -9.081 5.866 1.00 0.00 N ATOM 116 CA LYS A 7 1.902 -9.238 6.877 1.00 0.00 C ATOM 117 C LYS A 7 3.213 -8.742 6.272 1.00 0.00 C ATOM 118 O LYS A 7 3.392 -8.827 5.056 1.00 0.00 O ATOM 119 CB LYS A 7 1.996 -10.718 7.266 1.00 0.00 C ATOM 120 CG LYS A 7 2.217 -10.995 8.755 1.00 0.00 C ATOM 121 CD LYS A 7 0.992 -10.648 9.603 1.00 0.00 C ATOM 122 CE LYS A 7 1.137 -11.203 11.024 1.00 0.00 C ATOM 123 NZ LYS A 7 1.199 -12.677 11.036 1.00 0.00 N ATOM 0 H LYS A 7 0.945 -9.738 5.090 1.00 0.00 H new ATOM 0 HA LYS A 7 1.679 -8.664 7.777 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.078 -11.217 6.954 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.813 -11.172 6.705 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.464 -12.048 8.893 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.073 -10.418 9.106 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.866 -9.566 9.642 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.095 -11.057 9.138 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.040 -10.798 11.481 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.295 -10.870 11.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.508 -13.048 11.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.979 -13.041 10.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.155 -12.982 11.311 1.00 0.00 H new ATOM 137 N VAL A 8 4.133 -8.231 7.097 1.00 0.00 N ATOM 138 CA VAL A 8 5.396 -7.712 6.580 1.00 0.00 C ATOM 139 C VAL A 8 6.104 -8.778 5.732 1.00 0.00 C ATOM 140 O VAL A 8 6.318 -9.900 6.188 1.00 0.00 O ATOM 141 CB VAL A 8 6.280 -7.174 7.711 1.00 0.00 C ATOM 142 CG1 VAL A 8 5.536 -6.079 8.478 1.00 0.00 C ATOM 143 CG2 VAL A 8 6.713 -8.240 8.714 1.00 0.00 C ATOM 0 H VAL A 8 4.027 -8.167 8.109 1.00 0.00 H new ATOM 0 HA VAL A 8 5.187 -6.865 5.926 1.00 0.00 H new ATOM 0 HB VAL A 8 7.178 -6.790 7.226 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.170 -5.701 9.280 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.287 -5.264 7.798 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.620 -6.490 8.903 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.335 -7.784 9.484 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.831 -8.684 9.176 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.282 -9.014 8.199 1.00 0.00 H new ATOM 153 N GLY A 9 6.466 -8.424 4.495 1.00 0.00 N ATOM 154 CA GLY A 9 7.155 -9.318 3.571 1.00 0.00 C ATOM 155 C GLY A 9 6.308 -9.697 2.349 1.00 0.00 C ATOM 156 O GLY A 9 6.829 -10.336 1.435 1.00 0.00 O ATOM 0 H GLY A 9 6.285 -7.498 4.107 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.075 -8.841 3.233 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.442 -10.226 4.101 1.00 0.00 H new ATOM 160 N GLU A 10 5.028 -9.316 2.311 1.00 0.00 N ATOM 161 CA GLU A 10 4.126 -9.687 1.221 1.00 0.00 C ATOM 162 C GLU A 10 3.909 -8.544 0.224 1.00 0.00 C ATOM 163 O GLU A 10 4.476 -7.462 0.378 1.00 0.00 O ATOM 164 CB GLU A 10 2.796 -10.145 1.821 1.00 0.00 C ATOM 165 CG GLU A 10 2.961 -11.387 2.702 1.00 0.00 C ATOM 166 CD GLU A 10 3.532 -12.562 1.913 1.00 0.00 C ATOM 167 OE1 GLU A 10 2.998 -12.841 0.817 1.00 0.00 O ATOM 168 OE2 GLU A 10 4.498 -13.179 2.414 1.00 0.00 O ATOM 0 H GLU A 10 4.591 -8.744 3.033 1.00 0.00 H new ATOM 0 HA GLU A 10 4.584 -10.499 0.656 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.367 -9.336 2.412 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.091 -10.361 1.018 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.620 -11.155 3.539 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.995 -11.666 3.124 1.00 0.00 H new ATOM 175 N SER A 11 3.082 -8.770 -0.807 1.00 0.00 N ATOM 176 CA SER A 11 2.875 -7.797 -1.879 1.00 0.00 C ATOM 177 C SER A 11 1.408 -7.676 -2.308 1.00 0.00 C ATOM 178 O SER A 11 0.572 -8.503 -1.952 1.00 0.00 O ATOM 179 CB SER A 11 3.728 -8.190 -3.087 1.00 0.00 C ATOM 180 OG SER A 11 5.098 -8.197 -2.743 1.00 0.00 O ATOM 0 H SER A 11 2.543 -9.629 -0.917 1.00 0.00 H new ATOM 0 HA SER A 11 3.173 -6.823 -1.491 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.431 -9.176 -3.444 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.556 -7.490 -3.905 1.00 0.00 H new ATOM 0 HG SER A 11 5.630 -8.452 -3.525 1.00 0.00 H new ATOM 186 N ILE A 12 1.119 -6.618 -3.076 1.00 0.00 N ATOM 187 CA ILE A 12 -0.199 -6.263 -3.607 1.00 0.00 C ATOM 188 C ILE A 12 0.000 -5.684 -5.012 1.00 0.00 C ATOM 189 O ILE A 12 1.123 -5.345 -5.382 1.00 0.00 O ATOM 190 CB ILE A 12 -0.888 -5.271 -2.643 1.00 0.00 C ATOM 191 CG1 ILE A 12 -1.324 -6.050 -1.397 1.00 0.00 C ATOM 192 CG2 ILE A 12 -2.102 -4.562 -3.255 1.00 0.00 C ATOM 193 CD1 ILE A 12 -2.114 -5.219 -0.385 1.00 0.00 C ATOM 0 H ILE A 12 1.839 -5.952 -3.358 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.852 -7.132 -3.685 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.170 -4.487 -2.404 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.933 -6.899 -1.707 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.439 -6.455 -0.906 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.534 -3.882 -2.521 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.789 -3.997 -4.133 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.847 -5.302 -3.546 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.385 -5.843 0.466 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.502 -4.384 -0.043 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.019 -4.836 -0.856 1.00 0.00 H new ATOM 205 N ASN A 13 -1.069 -5.561 -5.803 1.00 0.00 N ATOM 206 CA ASN A 13 -0.995 -5.114 -7.185 1.00 0.00 C ATOM 207 C ASN A 13 -2.064 -4.077 -7.512 1.00 0.00 C ATOM 208 O ASN A 13 -3.130 -4.036 -6.896 1.00 0.00 O ATOM 209 CB ASN A 13 -1.155 -6.330 -8.099 1.00 0.00 C ATOM 210 CG ASN A 13 0.141 -7.119 -8.177 1.00 0.00 C ATOM 211 OD1 ASN A 13 0.278 -8.165 -7.552 1.00 0.00 O ATOM 212 ND2 ASN A 13 1.098 -6.622 -8.951 1.00 0.00 N ATOM 0 H ASN A 13 -2.017 -5.773 -5.493 1.00 0.00 H new ATOM 0 HA ASN A 13 -0.027 -4.637 -7.341 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.954 -6.970 -7.724 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.449 -6.005 -9.097 1.00 0.00 H new ATOM 0 HD21 ASN A 13 1.987 -7.114 -9.042 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.944 -5.748 -9.455 1.00 0.00 H new ATOM 219 N ILE A 14 -1.754 -3.237 -8.504 1.00 0.00 N ATOM 220 CA ILE A 14 -2.640 -2.193 -9.000 1.00 0.00 C ATOM 221 C ILE A 14 -2.459 -2.093 -10.511 1.00 0.00 C ATOM 222 O ILE A 14 -1.345 -2.243 -11.014 1.00 0.00 O ATOM 223 CB ILE A 14 -2.300 -0.857 -8.317 1.00 0.00 C ATOM 224 CG1 ILE A 14 -2.405 -0.984 -6.790 1.00 0.00 C ATOM 225 CG2 ILE A 14 -3.247 0.237 -8.819 1.00 0.00 C ATOM 226 CD1 ILE A 14 -2.061 0.320 -6.075 1.00 0.00 C ATOM 0 H ILE A 14 -0.859 -3.269 -8.992 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.679 -2.431 -8.774 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.274 -0.589 -8.569 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.417 -1.287 -6.522 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.735 -1.772 -6.446 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.002 1.181 -8.333 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.138 0.346 -9.898 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.276 -0.036 -8.584 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.150 0.179 -4.998 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.039 0.611 -6.320 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.748 1.103 -6.396 1.00 0.00 H new ATOM 238 N GLY A 15 -3.550 -1.838 -11.237 1.00 0.00 N ATOM 239 CA GLY A 15 -3.517 -1.793 -12.689 1.00 0.00 C ATOM 240 C GLY A 15 -2.952 -3.104 -13.232 1.00 0.00 C ATOM 241 O GLY A 15 -3.272 -4.180 -12.732 1.00 0.00 O ATOM 0 H GLY A 15 -4.470 -1.659 -10.834 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.521 -1.629 -13.080 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.904 -0.956 -13.023 1.00 0.00 H new ATOM 245 N ASP A 16 -2.106 -3.002 -14.259 1.00 0.00 N ATOM 246 CA ASP A 16 -1.428 -4.149 -14.848 1.00 0.00 C ATOM 247 C ASP A 16 0.070 -3.862 -14.964 1.00 0.00 C ATOM 248 O ASP A 16 0.804 -4.605 -15.613 1.00 0.00 O ATOM 249 CB ASP A 16 -2.074 -4.480 -16.197 1.00 0.00 C ATOM 250 CG ASP A 16 -1.583 -5.825 -16.737 1.00 0.00 C ATOM 251 OD1 ASP A 16 -1.693 -6.823 -15.988 1.00 0.00 O ATOM 252 OD2 ASP A 16 -1.103 -5.843 -17.894 1.00 0.00 O ATOM 0 H ASP A 16 -1.874 -2.115 -14.705 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.535 -5.026 -14.210 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.158 -4.505 -16.087 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.845 -3.693 -16.915 1.00 0.00 H new ATOM 257 N ASP A 17 0.526 -2.769 -14.335 1.00 0.00 N ATOM 258 CA ASP A 17 1.905 -2.311 -14.425 1.00 0.00 C ATOM 259 C ASP A 17 2.431 -1.811 -13.074 1.00 0.00 C ATOM 260 O ASP A 17 3.519 -1.241 -13.033 1.00 0.00 O ATOM 261 CB ASP A 17 2.007 -1.195 -15.469 1.00 0.00 C ATOM 262 CG ASP A 17 1.612 -1.682 -16.859 1.00 0.00 C ATOM 263 OD1 ASP A 17 2.480 -2.287 -17.526 1.00 0.00 O ATOM 264 OD2 ASP A 17 0.444 -1.440 -17.246 1.00 0.00 O ATOM 0 H ASP A 17 -0.063 -2.179 -13.747 1.00 0.00 H new ATOM 0 HA ASP A 17 2.521 -3.159 -14.724 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.363 -0.365 -15.178 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.028 -0.813 -15.494 1.00 0.00 H new ATOM 269 N ILE A 18 1.692 -2.007 -11.974 1.00 0.00 N ATOM 270 CA ILE A 18 2.144 -1.543 -10.668 1.00 0.00 C ATOM 271 C ILE A 18 2.057 -2.669 -9.640 1.00 0.00 C ATOM 272 O ILE A 18 1.160 -3.513 -9.688 1.00 0.00 O ATOM 273 CB ILE A 18 1.341 -0.314 -10.209 1.00 0.00 C ATOM 274 CG1 ILE A 18 1.468 0.859 -11.187 1.00 0.00 C ATOM 275 CG2 ILE A 18 1.843 0.153 -8.840 1.00 0.00 C ATOM 276 CD1 ILE A 18 0.372 0.829 -12.251 1.00 0.00 C ATOM 0 H ILE A 18 0.788 -2.480 -11.968 1.00 0.00 H new ATOM 0 HA ILE A 18 3.188 -1.242 -10.757 1.00 0.00 H new ATOM 0 HB ILE A 18 0.295 -0.618 -10.161 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.416 1.799 -10.637 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.445 0.826 -11.670 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.271 1.024 -8.520 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.719 -0.650 -8.114 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.898 0.418 -8.910 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.496 1.676 -12.925 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.441 -0.099 -12.818 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.604 0.888 -11.770 1.00 0.00 H new ATOM 288 N THR A 19 3.008 -2.671 -8.701 1.00 0.00 N ATOM 289 CA THR A 19 3.066 -3.625 -7.602 1.00 0.00 C ATOM 290 C THR A 19 3.448 -2.863 -6.337 1.00 0.00 C ATOM 291 O THR A 19 4.071 -1.807 -6.411 1.00 0.00 O ATOM 292 CB THR A 19 4.092 -4.718 -7.928 1.00 0.00 C ATOM 293 OG1 THR A 19 3.800 -5.300 -9.176 1.00 0.00 O ATOM 294 CG2 THR A 19 4.092 -5.828 -6.877 1.00 0.00 C ATOM 0 H THR A 19 3.771 -1.994 -8.688 1.00 0.00 H new ATOM 0 HA THR A 19 2.102 -4.110 -7.451 1.00 0.00 H new ATOM 0 HB THR A 19 5.072 -4.240 -7.943 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.461 -5.995 -9.375 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.832 -6.582 -7.144 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.339 -5.407 -5.903 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.105 -6.288 -6.833 1.00 0.00 H new ATOM 302 N ILE A 20 3.074 -3.410 -5.177 1.00 0.00 N ATOM 303 CA ILE A 20 3.278 -2.790 -3.877 1.00 0.00 C ATOM 304 C ILE A 20 3.831 -3.846 -2.926 1.00 0.00 C ATOM 305 O ILE A 20 3.517 -5.029 -3.072 1.00 0.00 O ATOM 306 CB ILE A 20 1.936 -2.259 -3.356 1.00 0.00 C ATOM 307 CG1 ILE A 20 1.255 -1.301 -4.346 1.00 0.00 C ATOM 308 CG2 ILE A 20 2.116 -1.570 -1.999 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.028 0.004 -4.528 1.00 0.00 C ATOM 0 H ILE A 20 2.611 -4.317 -5.121 1.00 0.00 H new ATOM 0 HA ILE A 20 3.979 -1.959 -3.952 1.00 0.00 H new ATOM 0 HB ILE A 20 1.283 -3.124 -3.239 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.152 -1.796 -5.312 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.248 -1.076 -3.994 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.152 -1.201 -1.648 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.516 -2.284 -1.279 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.808 -0.735 -2.104 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.502 0.643 -5.238 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.108 0.516 -3.569 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.026 -0.214 -4.907 1.00 0.00 H new ATOM 321 N THR A 21 4.648 -3.433 -1.957 1.00 0.00 N ATOM 322 CA THR A 21 5.262 -4.345 -1.002 1.00 0.00 C ATOM 323 C THR A 21 5.259 -3.726 0.393 1.00 0.00 C ATOM 324 O THR A 21 5.250 -2.502 0.531 1.00 0.00 O ATOM 325 CB THR A 21 6.692 -4.671 -1.459 1.00 0.00 C ATOM 326 OG1 THR A 21 6.664 -5.148 -2.787 1.00 0.00 O ATOM 327 CG2 THR A 21 7.339 -5.750 -0.596 1.00 0.00 C ATOM 0 H THR A 21 4.901 -2.455 -1.815 1.00 0.00 H new ATOM 0 HA THR A 21 4.689 -5.271 -0.958 1.00 0.00 H new ATOM 0 HB THR A 21 7.273 -3.753 -1.373 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.576 -5.355 -3.080 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.349 -5.947 -0.956 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.383 -5.410 0.439 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.748 -6.664 -0.653 1.00 0.00 H new ATOM 335 N ILE A 22 5.258 -4.570 1.428 1.00 0.00 N ATOM 336 CA ILE A 22 5.271 -4.126 2.815 1.00 0.00 C ATOM 337 C ILE A 22 6.601 -4.526 3.443 1.00 0.00 C ATOM 338 O ILE A 22 6.731 -5.601 4.030 1.00 0.00 O ATOM 339 CB ILE A 22 4.028 -4.641 3.563 1.00 0.00 C ATOM 340 CG1 ILE A 22 4.058 -4.273 5.048 1.00 0.00 C ATOM 341 CG2 ILE A 22 3.852 -6.160 3.463 1.00 0.00 C ATOM 342 CD1 ILE A 22 4.220 -2.774 5.263 1.00 0.00 C ATOM 0 H ILE A 22 5.248 -5.584 1.322 1.00 0.00 H new ATOM 0 HA ILE A 22 5.203 -3.040 2.881 1.00 0.00 H new ATOM 0 HB ILE A 22 3.189 -4.151 3.069 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.137 -4.610 5.523 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.879 -4.800 5.535 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.959 -6.460 4.011 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.749 -6.446 2.416 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.723 -6.656 3.891 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.236 -2.559 6.332 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.155 -2.441 4.812 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.385 -2.248 4.800 1.00 0.00 H new ATOM 354 N LEU A 23 7.595 -3.645 3.312 1.00 0.00 N ATOM 355 CA LEU A 23 8.949 -3.925 3.763 1.00 0.00 C ATOM 356 C LEU A 23 8.992 -4.110 5.278 1.00 0.00 C ATOM 357 O LEU A 23 9.832 -4.857 5.778 1.00 0.00 O ATOM 358 CB LEU A 23 9.880 -2.785 3.339 1.00 0.00 C ATOM 359 CG LEU A 23 9.741 -2.445 1.850 1.00 0.00 C ATOM 360 CD1 LEU A 23 10.733 -1.352 1.474 1.00 0.00 C ATOM 361 CD2 LEU A 23 10.011 -3.653 0.957 1.00 0.00 C ATOM 0 H LEU A 23 7.479 -2.723 2.892 1.00 0.00 H new ATOM 0 HA LEU A 23 9.285 -4.854 3.302 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.660 -1.899 3.934 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.912 -3.063 3.551 1.00 0.00 H new ATOM 0 HG LEU A 23 8.714 -2.115 1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.629 -1.115 0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.533 -0.459 2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.748 -1.698 1.671 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.901 -3.365 -0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 23 11.025 -4.013 1.129 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.300 -4.445 1.192 1.00 0.00 H new ATOM 373 N GLY A 24 8.101 -3.437 6.016 1.00 0.00 N ATOM 374 CA GLY A 24 7.985 -3.665 7.449 1.00 0.00 C ATOM 375 C GLY A 24 7.358 -2.486 8.183 1.00 0.00 C ATOM 376 O GLY A 24 6.849 -1.560 7.555 1.00 0.00 O ATOM 0 H GLY A 24 7.459 -2.738 5.643 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.384 -4.557 7.623 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.974 -3.861 7.863 1.00 0.00 H new ATOM 380 N VAL A 25 7.394 -2.527 9.517 1.00 0.00 N ATOM 381 CA VAL A 25 6.894 -1.434 10.348 1.00 0.00 C ATOM 382 C VAL A 25 7.913 -1.100 11.437 1.00 0.00 C ATOM 383 O VAL A 25 8.795 -1.906 11.745 1.00 0.00 O ATOM 384 CB VAL A 25 5.521 -1.764 10.954 1.00 0.00 C ATOM 385 CG1 VAL A 25 4.595 -2.406 9.921 1.00 0.00 C ATOM 386 CG2 VAL A 25 5.635 -2.696 12.162 1.00 0.00 C ATOM 0 H VAL A 25 7.768 -3.314 10.047 1.00 0.00 H new ATOM 0 HA VAL A 25 6.758 -0.558 9.714 1.00 0.00 H new ATOM 0 HB VAL A 25 5.098 -0.814 11.281 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.633 -2.627 10.383 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.449 -1.719 9.087 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.043 -3.330 9.556 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.640 -2.902 12.558 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.105 -3.631 11.857 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.241 -2.220 12.933 1.00 0.00 H new ATOM 396 N SER A 26 7.784 0.093 12.021 1.00 0.00 N ATOM 397 CA SER A 26 8.657 0.568 13.086 1.00 0.00 C ATOM 398 C SER A 26 7.844 1.505 13.965 1.00 0.00 C ATOM 399 O SER A 26 7.677 2.679 13.633 1.00 0.00 O ATOM 400 CB SER A 26 9.860 1.313 12.504 1.00 0.00 C ATOM 401 OG SER A 26 10.614 0.468 11.657 1.00 0.00 O ATOM 0 H SER A 26 7.059 0.762 11.761 1.00 0.00 H new ATOM 0 HA SER A 26 9.034 -0.275 13.665 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.518 2.184 11.945 1.00 0.00 H new ATOM 0 HB3 SER A 26 10.491 1.681 13.313 1.00 0.00 H new ATOM 0 HG SER A 26 11.377 0.965 11.295 1.00 0.00 H new ATOM 407 N GLY A 27 7.327 1.000 15.088 1.00 0.00 N ATOM 408 CA GLY A 27 6.403 1.769 15.898 1.00 0.00 C ATOM 409 C GLY A 27 5.118 1.965 15.108 1.00 0.00 C ATOM 410 O GLY A 27 4.413 0.992 14.833 1.00 0.00 O ATOM 0 H GLY A 27 7.536 0.069 15.448 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.197 1.250 16.834 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.839 2.734 16.158 1.00 0.00 H new ATOM 414 N GLN A 28 4.815 3.208 14.741 1.00 0.00 N ATOM 415 CA GLN A 28 3.629 3.519 13.956 1.00 0.00 C ATOM 416 C GLN A 28 4.017 3.849 12.517 1.00 0.00 C ATOM 417 O GLN A 28 3.149 4.144 11.699 1.00 0.00 O ATOM 418 CB GLN A 28 2.842 4.664 14.603 1.00 0.00 C ATOM 419 CG GLN A 28 1.821 4.143 15.615 1.00 0.00 C ATOM 420 CD GLN A 28 2.466 3.471 16.823 1.00 0.00 C ATOM 421 OE1 GLN A 28 2.649 2.152 16.767 1.00 0.00 O flip ATOM 422 NE2 GLN A 28 2.800 4.134 17.802 1.00 0.00 N flip ATOM 0 H GLN A 28 5.382 4.021 14.979 1.00 0.00 H new ATOM 0 HA GLN A 28 2.980 2.643 13.934 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.532 5.346 15.100 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.330 5.237 13.830 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.201 4.972 15.956 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.159 3.432 15.121 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.645 5.142 17.812 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.232 3.676 18.605 1.00 0.00 H new ATOM 431 N GLN A 29 5.311 3.810 12.191 1.00 0.00 N ATOM 432 CA GLN A 29 5.749 3.946 10.812 1.00 0.00 C ATOM 433 C GLN A 29 5.538 2.634 10.078 1.00 0.00 C ATOM 434 O GLN A 29 5.405 1.576 10.689 1.00 0.00 O ATOM 435 CB GLN A 29 7.240 4.266 10.732 1.00 0.00 C ATOM 436 CG GLN A 29 7.536 5.746 10.925 1.00 0.00 C ATOM 437 CD GLN A 29 8.961 6.024 10.476 1.00 0.00 C ATOM 438 OE1 GLN A 29 9.179 6.641 9.440 1.00 0.00 O ATOM 439 NE2 GLN A 29 9.940 5.566 11.248 1.00 0.00 N ATOM 0 H GLN A 29 6.067 3.686 12.865 1.00 0.00 H new ATOM 0 HA GLN A 29 5.170 4.754 10.366 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.772 3.692 11.491 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.624 3.946 9.763 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.834 6.349 10.349 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.410 6.023 11.972 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.719 5.056 12.104 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.913 5.724 10.985 1.00 0.00 H new ATOM 448 N VAL A 30 5.509 2.722 8.750 1.00 0.00 N ATOM 449 CA VAL A 30 5.395 1.573 7.881 1.00 0.00 C ATOM 450 C VAL A 30 6.280 1.830 6.672 1.00 0.00 C ATOM 451 O VAL A 30 6.038 2.778 5.927 1.00 0.00 O ATOM 452 CB VAL A 30 3.932 1.394 7.455 1.00 0.00 C ATOM 453 CG1 VAL A 30 3.796 0.147 6.586 1.00 0.00 C ATOM 454 CG2 VAL A 30 3.021 1.231 8.672 1.00 0.00 C ATOM 0 H VAL A 30 5.565 3.609 8.249 1.00 0.00 H new ATOM 0 HA VAL A 30 5.710 0.661 8.388 1.00 0.00 H new ATOM 0 HB VAL A 30 3.636 2.284 6.899 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.755 0.024 6.286 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.419 0.252 5.698 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.116 -0.728 7.152 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.990 1.106 8.341 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.328 0.354 9.241 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.094 2.117 9.303 1.00 0.00 H new ATOM 464 N ARG A 31 7.304 0.995 6.471 1.00 0.00 N ATOM 465 CA ARG A 31 8.094 1.062 5.255 1.00 0.00 C ATOM 466 C ARG A 31 7.307 0.360 4.165 1.00 0.00 C ATOM 467 O ARG A 31 7.175 -0.864 4.180 1.00 0.00 O ATOM 468 CB ARG A 31 9.455 0.377 5.395 1.00 0.00 C ATOM 469 CG ARG A 31 10.483 1.269 6.082 1.00 0.00 C ATOM 470 CD ARG A 31 11.878 0.701 5.815 1.00 0.00 C ATOM 471 NE ARG A 31 12.897 1.422 6.587 1.00 0.00 N ATOM 472 CZ ARG A 31 14.208 1.159 6.535 1.00 0.00 C ATOM 473 NH1 ARG A 31 14.674 0.171 5.778 1.00 0.00 N ATOM 474 NH2 ARG A 31 15.060 1.891 7.245 1.00 0.00 N ATOM 0 H ARG A 31 7.597 0.275 7.131 1.00 0.00 H new ATOM 0 HA ARG A 31 8.284 2.110 5.024 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.338 -0.545 5.965 1.00 0.00 H new ATOM 0 HB3 ARG A 31 9.822 0.097 4.407 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.411 2.289 5.704 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.291 1.312 7.154 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.900 -0.357 6.077 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.105 0.771 4.751 1.00 0.00 H new ATOM 0 HE ARG A 31 12.585 2.173 7.203 1.00 0.00 H new ATOM 0 HH11 ARG A 31 14.030 -0.397 5.228 1.00 0.00 H new ATOM 0 HH12 ARG A 31 15.676 -0.019 5.747 1.00 0.00 H new ATOM 0 HH21 ARG A 31 14.714 2.653 7.829 1.00 0.00 H new ATOM 0 HH22 ARG A 31 16.059 1.691 7.206 1.00 0.00 H new ATOM 488 N ILE A 32 6.796 1.158 3.230 1.00 0.00 N ATOM 489 CA ILE A 32 6.044 0.666 2.092 1.00 0.00 C ATOM 490 C ILE A 32 6.956 0.766 0.878 1.00 0.00 C ATOM 491 O ILE A 32 7.766 1.686 0.787 1.00 0.00 O ATOM 492 CB ILE A 32 4.769 1.503 1.900 1.00 0.00 C ATOM 493 CG1 ILE A 32 4.041 1.656 3.241 1.00 0.00 C ATOM 494 CG2 ILE A 32 3.875 0.838 0.846 1.00 0.00 C ATOM 495 CD1 ILE A 32 2.695 2.366 3.110 1.00 0.00 C ATOM 0 H ILE A 32 6.897 2.173 3.247 1.00 0.00 H new ATOM 0 HA ILE A 32 5.730 -0.367 2.242 1.00 0.00 H new ATOM 0 HB ILE A 32 5.028 2.501 1.545 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.885 0.670 3.678 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.674 2.214 3.931 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.971 1.431 0.709 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.413 0.774 -0.100 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.605 -0.164 1.178 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.228 2.444 4.092 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.849 3.364 2.701 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.047 1.797 2.444 1.00 0.00 H new ATOM 507 N GLY A 33 6.828 -0.175 -0.053 1.00 0.00 N ATOM 508 CA GLY A 33 7.630 -0.185 -1.262 1.00 0.00 C ATOM 509 C GLY A 33 6.702 -0.191 -2.465 1.00 0.00 C ATOM 510 O GLY A 33 5.603 -0.739 -2.397 1.00 0.00 O ATOM 0 H GLY A 33 6.166 -0.948 0.013 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.280 0.690 -1.291 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.276 -1.063 -1.279 1.00 0.00 H new ATOM 514 N ILE A 34 7.143 0.416 -3.566 1.00 0.00 N ATOM 515 CA ILE A 34 6.344 0.487 -4.773 1.00 0.00 C ATOM 516 C ILE A 34 7.226 0.118 -5.953 1.00 0.00 C ATOM 517 O ILE A 34 8.417 0.430 -5.966 1.00 0.00 O ATOM 518 CB ILE A 34 5.754 1.898 -4.914 1.00 0.00 C ATOM 519 CG1 ILE A 34 4.931 2.242 -3.663 1.00 0.00 C ATOM 520 CG2 ILE A 34 4.887 1.966 -6.178 1.00 0.00 C ATOM 521 CD1 ILE A 34 4.390 3.672 -3.682 1.00 0.00 C ATOM 0 H ILE A 34 8.055 0.866 -3.640 1.00 0.00 H new ATOM 0 HA ILE A 34 5.509 -0.213 -4.733 1.00 0.00 H new ATOM 0 HB ILE A 34 6.558 2.628 -5.006 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.098 1.545 -3.579 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.551 2.105 -2.777 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.468 2.967 -6.278 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.499 1.739 -7.051 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.078 1.240 -6.103 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.817 3.856 -2.773 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.221 4.375 -3.736 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.745 3.806 -4.551 1.00 0.00 H new ATOM 533 N ASN A 35 6.633 -0.549 -6.943 1.00 0.00 N ATOM 534 CA ASN A 35 7.347 -1.010 -8.117 1.00 0.00 C ATOM 535 C ASN A 35 6.497 -0.721 -9.346 1.00 0.00 C ATOM 536 O ASN A 35 5.541 -1.437 -9.637 1.00 0.00 O ATOM 537 CB ASN A 35 7.661 -2.499 -7.963 1.00 0.00 C ATOM 538 CG ASN A 35 8.643 -2.995 -9.016 1.00 0.00 C ATOM 539 OD1 ASN A 35 8.942 -2.301 -9.985 1.00 0.00 O ATOM 540 ND2 ASN A 35 9.153 -4.207 -8.830 1.00 0.00 N ATOM 0 H ASN A 35 5.640 -0.782 -6.946 1.00 0.00 H new ATOM 0 HA ASN A 35 8.296 -0.487 -8.233 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.074 -2.680 -6.971 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.736 -3.072 -8.033 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.816 -4.590 -9.504 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.882 -4.755 -8.013 1.00 0.00 H new ATOM 547 N ALA A 36 6.864 0.345 -10.057 1.00 0.00 N ATOM 548 CA ALA A 36 6.153 0.803 -11.235 1.00 0.00 C ATOM 549 C ALA A 36 7.157 1.334 -12.257 1.00 0.00 C ATOM 550 O ALA A 36 8.257 1.741 -11.880 1.00 0.00 O ATOM 551 CB ALA A 36 5.185 1.907 -10.798 1.00 0.00 C ATOM 0 H ALA A 36 7.675 0.917 -9.822 1.00 0.00 H new ATOM 0 HA ALA A 36 5.595 -0.011 -11.699 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.634 2.272 -11.665 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.484 1.507 -10.065 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.747 2.728 -10.353 1.00 0.00 H new ATOM 557 N PRO A 37 6.805 1.341 -13.548 1.00 0.00 N ATOM 558 CA PRO A 37 7.650 1.879 -14.599 1.00 0.00 C ATOM 559 C PRO A 37 7.664 3.397 -14.531 1.00 0.00 C ATOM 560 O PRO A 37 6.707 4.008 -14.064 1.00 0.00 O ATOM 561 CB PRO A 37 6.997 1.410 -15.902 1.00 0.00 C ATOM 562 CG PRO A 37 5.515 1.299 -15.537 1.00 0.00 C ATOM 563 CD PRO A 37 5.561 0.823 -14.087 1.00 0.00 C ATOM 0 HA PRO A 37 8.684 1.546 -14.514 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.159 2.122 -16.711 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.402 0.454 -16.233 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.002 2.256 -15.633 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.992 0.591 -16.179 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.705 1.195 -13.525 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.532 -0.265 -14.030 1.00 0.00 H new ATOM 571 N LYS A 38 8.747 4.020 -15.005 1.00 0.00 N ATOM 572 CA LYS A 38 8.833 5.476 -15.068 1.00 0.00 C ATOM 573 C LYS A 38 7.818 6.039 -16.064 1.00 0.00 C ATOM 574 O LYS A 38 7.689 7.255 -16.192 1.00 0.00 O ATOM 575 CB LYS A 38 10.266 5.895 -15.420 1.00 0.00 C ATOM 576 CG LYS A 38 11.239 5.586 -14.273 1.00 0.00 C ATOM 577 CD LYS A 38 10.922 6.324 -12.964 1.00 0.00 C ATOM 578 CE LYS A 38 11.091 7.842 -13.068 1.00 0.00 C ATOM 579 NZ LYS A 38 9.935 8.496 -13.715 1.00 0.00 N ATOM 0 H LYS A 38 9.575 3.535 -15.350 1.00 0.00 H new ATOM 0 HA LYS A 38 8.586 5.891 -14.091 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.588 5.374 -16.322 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.290 6.962 -15.642 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.231 4.513 -14.083 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.249 5.846 -14.588 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.898 6.099 -12.667 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.573 5.946 -12.175 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.229 8.258 -12.070 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.995 8.066 -13.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.173 8.726 -14.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.118 7.853 -13.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.699 9.370 -13.203 1.00 0.00 H new ATOM 593 N ASP A 39 7.104 5.154 -16.759 1.00 0.00 N ATOM 594 CA ASP A 39 5.984 5.505 -17.617 1.00 0.00 C ATOM 595 C ASP A 39 4.800 6.019 -16.791 1.00 0.00 C ATOM 596 O ASP A 39 3.831 6.518 -17.360 1.00 0.00 O ATOM 597 CB ASP A 39 5.574 4.272 -18.423 1.00 0.00 C ATOM 598 CG ASP A 39 6.639 3.912 -19.453 1.00 0.00 C ATOM 599 OD1 ASP A 39 6.577 4.478 -20.568 1.00 0.00 O ATOM 600 OD2 ASP A 39 7.506 3.075 -19.117 1.00 0.00 O ATOM 0 H ASP A 39 7.296 4.153 -16.737 1.00 0.00 H new ATOM 0 HA ASP A 39 6.288 6.305 -18.293 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.415 3.430 -17.750 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.626 4.461 -18.926 1.00 0.00 H new ATOM 605 N VAL A 40 4.873 5.898 -15.459 1.00 0.00 N ATOM 606 CA VAL A 40 3.845 6.388 -14.547 1.00 0.00 C ATOM 607 C VAL A 40 4.496 7.040 -13.334 1.00 0.00 C ATOM 608 O VAL A 40 5.669 6.799 -13.045 1.00 0.00 O ATOM 609 CB VAL A 40 2.891 5.259 -14.124 1.00 0.00 C ATOM 610 CG1 VAL A 40 2.304 4.549 -15.344 1.00 0.00 C ATOM 611 CG2 VAL A 40 3.586 4.211 -13.249 1.00 0.00 C ATOM 0 H VAL A 40 5.658 5.452 -14.985 1.00 0.00 H new ATOM 0 HA VAL A 40 3.248 7.137 -15.068 1.00 0.00 H new ATOM 0 HB VAL A 40 2.098 5.735 -13.547 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.633 3.755 -15.015 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.749 5.265 -15.950 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.111 4.119 -15.938 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.872 3.434 -12.975 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.413 3.766 -13.802 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.968 4.687 -12.346 1.00 0.00 H new ATOM 621 N ALA A 41 3.738 7.874 -12.617 1.00 0.00 N ATOM 622 CA ALA A 41 4.264 8.624 -11.489 1.00 0.00 C ATOM 623 C ALA A 41 3.858 8.003 -10.158 1.00 0.00 C ATOM 624 O ALA A 41 2.865 7.281 -10.072 1.00 0.00 O ATOM 625 CB ALA A 41 3.743 10.059 -11.578 1.00 0.00 C ATOM 0 H ALA A 41 2.750 8.043 -12.806 1.00 0.00 H new ATOM 0 HA ALA A 41 5.353 8.607 -11.533 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.128 10.638 -10.739 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.076 10.510 -12.513 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.653 10.053 -11.546 1.00 0.00 H new ATOM 631 N VAL A 42 4.637 8.286 -9.111 1.00 0.00 N ATOM 632 CA VAL A 42 4.317 7.864 -7.752 1.00 0.00 C ATOM 633 C VAL A 42 4.953 8.843 -6.767 1.00 0.00 C ATOM 634 O VAL A 42 6.109 9.225 -6.937 1.00 0.00 O ATOM 635 CB VAL A 42 4.800 6.421 -7.526 1.00 0.00 C ATOM 636 CG1 VAL A 42 6.239 6.212 -7.998 1.00 0.00 C ATOM 637 CG2 VAL A 42 4.744 6.005 -6.059 1.00 0.00 C ATOM 0 H VAL A 42 5.506 8.814 -9.185 1.00 0.00 H new ATOM 0 HA VAL A 42 3.239 7.873 -7.593 1.00 0.00 H new ATOM 0 HB VAL A 42 4.115 5.808 -8.112 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.535 5.178 -7.818 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.307 6.428 -9.064 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.903 6.880 -7.449 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.096 4.978 -5.958 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.379 6.666 -5.469 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.717 6.073 -5.700 1.00 0.00 H new ATOM 647 N HIS A 43 4.201 9.256 -5.739 1.00 0.00 N ATOM 648 CA HIS A 43 4.656 10.255 -4.777 1.00 0.00 C ATOM 649 C HIS A 43 3.894 10.143 -3.462 1.00 0.00 C ATOM 650 O HIS A 43 2.894 9.431 -3.381 1.00 0.00 O ATOM 651 CB HIS A 43 4.384 11.659 -5.329 1.00 0.00 C ATOM 652 CG HIS A 43 4.949 11.942 -6.692 1.00 0.00 C ATOM 653 ND1 HIS A 43 6.270 12.308 -6.958 1.00 0.00 N ATOM 654 CD2 HIS A 43 4.246 11.885 -7.860 1.00 0.00 C ATOM 655 CE1 HIS A 43 6.329 12.468 -8.290 1.00 0.00 C ATOM 656 NE2 HIS A 43 5.132 12.223 -8.856 1.00 0.00 N ATOM 0 H HIS A 43 3.261 8.904 -5.555 1.00 0.00 H new ATOM 0 HA HIS A 43 5.719 10.085 -4.609 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.306 11.814 -5.363 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.789 12.390 -4.629 1.00 0.00 H new ATOM 0 HD1 HIS A 43 7.027 12.428 -6.285 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.204 11.627 -7.978 1.00 0.00 H new ATOM 0 HE1 HIS A 43 7.217 12.755 -8.834 1.00 0.00 H new ATOM 664 N ARG A 44 4.363 10.849 -2.426 1.00 0.00 N ATOM 665 CA ARG A 44 3.600 10.978 -1.192 1.00 0.00 C ATOM 666 C ARG A 44 2.398 11.879 -1.464 1.00 0.00 C ATOM 667 O ARG A 44 2.374 12.588 -2.465 1.00 0.00 O ATOM 668 CB ARG A 44 4.467 11.565 -0.076 1.00 0.00 C ATOM 669 CG ARG A 44 5.775 10.777 0.065 1.00 0.00 C ATOM 670 CD ARG A 44 6.505 11.106 1.370 1.00 0.00 C ATOM 671 NE ARG A 44 6.588 12.550 1.618 1.00 0.00 N ATOM 672 CZ ARG A 44 7.470 13.380 1.055 1.00 0.00 C ATOM 673 NH1 ARG A 44 8.352 12.954 0.160 1.00 0.00 N ATOM 674 NH2 ARG A 44 7.472 14.665 1.389 1.00 0.00 N ATOM 0 H ARG A 44 5.260 11.334 -2.423 1.00 0.00 H new ATOM 0 HA ARG A 44 3.263 9.995 -0.863 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.688 12.610 -0.292 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.920 11.543 0.866 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.560 9.709 0.029 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.426 11.000 -0.781 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.989 10.627 2.202 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.511 10.688 1.335 1.00 0.00 H new ATOM 0 HE ARG A 44 5.918 12.952 2.273 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.367 11.971 -0.113 1.00 0.00 H new ATOM 0 HH12 ARG A 44 9.015 13.609 -0.255 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.802 15.015 2.073 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.144 15.302 0.961 1.00 0.00 H new ATOM 688 N GLU A 45 1.398 11.867 -0.583 1.00 0.00 N ATOM 689 CA GLU A 45 0.206 12.685 -0.773 1.00 0.00 C ATOM 690 C GLU A 45 0.539 14.179 -0.701 1.00 0.00 C ATOM 691 O GLU A 45 -0.189 15.002 -1.256 1.00 0.00 O ATOM 692 CB GLU A 45 -0.847 12.263 0.258 1.00 0.00 C ATOM 693 CG GLU A 45 -2.208 12.920 0.013 1.00 0.00 C ATOM 694 CD GLU A 45 -2.384 14.257 0.737 1.00 0.00 C ATOM 695 OE1 GLU A 45 -1.456 14.667 1.472 1.00 0.00 O ATOM 696 OE2 GLU A 45 -3.459 14.865 0.546 1.00 0.00 O ATOM 0 H GLU A 45 1.392 11.301 0.266 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.202 12.522 -1.770 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.961 11.179 0.232 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.497 12.523 1.257 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.339 13.077 -1.058 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.995 12.237 0.334 1.00 0.00 H new ATOM 703 N GLU A 46 1.638 14.548 -0.029 1.00 0.00 N ATOM 704 CA GLU A 46 2.093 15.934 0.016 1.00 0.00 C ATOM 705 C GLU A 46 2.671 16.337 -1.336 1.00 0.00 C ATOM 706 O GLU A 46 2.335 17.384 -1.889 1.00 0.00 O ATOM 707 CB GLU A 46 3.218 16.055 1.046 1.00 0.00 C ATOM 708 CG GLU A 46 3.734 17.493 1.169 1.00 0.00 C ATOM 709 CD GLU A 46 2.675 18.420 1.772 1.00 0.00 C ATOM 710 OE1 GLU A 46 2.409 18.272 2.984 1.00 0.00 O ATOM 711 OE2 GLU A 46 2.143 19.266 1.020 1.00 0.00 O ATOM 0 H GLU A 46 2.227 13.898 0.492 1.00 0.00 H new ATOM 0 HA GLU A 46 1.248 16.572 0.273 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.858 15.715 2.017 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.040 15.398 0.763 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.629 17.508 1.792 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.024 17.862 0.185 1.00 0.00 H new ATOM 718 N ILE A 47 3.551 15.483 -1.857 1.00 0.00 N ATOM 719 CA ILE A 47 4.324 15.756 -3.053 1.00 0.00 C ATOM 720 C ILE A 47 3.468 15.603 -4.303 1.00 0.00 C ATOM 721 O ILE A 47 3.674 16.331 -5.269 1.00 0.00 O ATOM 722 CB ILE A 47 5.513 14.794 -3.061 1.00 0.00 C ATOM 723 CG1 ILE A 47 6.387 14.997 -1.820 1.00 0.00 C ATOM 724 CG2 ILE A 47 6.349 14.988 -4.321 1.00 0.00 C ATOM 725 CD1 ILE A 47 6.758 16.467 -1.584 1.00 0.00 C ATOM 0 H ILE A 47 3.745 14.569 -1.448 1.00 0.00 H new ATOM 0 HA ILE A 47 4.681 16.786 -3.052 1.00 0.00 H new ATOM 0 HB ILE A 47 5.122 13.777 -3.049 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.861 14.616 -0.945 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.299 14.410 -1.924 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.191 14.295 -4.310 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.733 14.796 -5.200 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.722 16.012 -4.356 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.378 16.547 -0.691 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.311 16.845 -2.444 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.850 17.054 -1.449 1.00 0.00 H new ATOM 737 N TYR A 48 2.513 14.675 -4.294 1.00 0.00 N ATOM 738 CA TYR A 48 1.653 14.480 -5.448 1.00 0.00 C ATOM 739 C TYR A 48 0.953 15.783 -5.818 1.00 0.00 C ATOM 740 O TYR A 48 0.835 16.110 -6.997 1.00 0.00 O ATOM 741 CB TYR A 48 0.621 13.404 -5.138 1.00 0.00 C ATOM 742 CG TYR A 48 -0.482 13.364 -6.169 1.00 0.00 C ATOM 743 CD1 TYR A 48 -0.162 13.332 -7.536 1.00 0.00 C ATOM 744 CD2 TYR A 48 -1.819 13.381 -5.754 1.00 0.00 C ATOM 745 CE1 TYR A 48 -1.183 13.348 -8.493 1.00 0.00 C ATOM 746 CE2 TYR A 48 -2.846 13.386 -6.706 1.00 0.00 C ATOM 747 CZ TYR A 48 -2.531 13.372 -8.081 1.00 0.00 C ATOM 748 OH TYR A 48 -3.528 13.380 -9.010 1.00 0.00 O ATOM 0 H TYR A 48 2.320 14.055 -3.507 1.00 0.00 H new ATOM 0 HA TYR A 48 2.263 14.164 -6.294 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.112 12.432 -5.095 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.191 13.587 -4.154 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.871 13.295 -7.849 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -2.058 13.390 -4.701 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -0.939 13.342 -9.545 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -3.878 13.401 -6.388 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.397 13.396 -8.557 1.00 0.00 H new ATOM 758 N GLN A 49 0.486 16.535 -4.817 1.00 0.00 N ATOM 759 CA GLN A 49 -0.212 17.783 -5.066 1.00 0.00 C ATOM 760 C GLN A 49 0.729 18.829 -5.658 1.00 0.00 C ATOM 761 O GLN A 49 0.270 19.778 -6.292 1.00 0.00 O ATOM 762 CB GLN A 49 -0.793 18.312 -3.755 1.00 0.00 C ATOM 763 CG GLN A 49 -1.820 17.346 -3.166 1.00 0.00 C ATOM 764 CD GLN A 49 -2.339 17.856 -1.828 1.00 0.00 C ATOM 765 OE1 GLN A 49 -3.092 18.823 -1.769 1.00 0.00 O ATOM 766 NE2 GLN A 49 -1.941 17.205 -0.741 1.00 0.00 N ATOM 0 H GLN A 49 0.582 16.295 -3.830 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.012 17.592 -5.781 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.012 18.471 -3.037 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.261 19.281 -3.928 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.651 17.224 -3.861 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.368 16.363 -3.035 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.314 16.405 -0.827 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.262 17.505 0.179 1.00 0.00 H new ATOM 775 N ARG A 50 2.042 18.667 -5.454 1.00 0.00 N ATOM 776 CA ARG A 50 3.023 19.619 -5.941 1.00 0.00 C ATOM 777 C ARG A 50 3.323 19.395 -7.416 1.00 0.00 C ATOM 778 O ARG A 50 3.487 20.363 -8.153 1.00 0.00 O ATOM 779 CB ARG A 50 4.297 19.502 -5.105 1.00 0.00 C ATOM 780 CG ARG A 50 5.310 20.544 -5.563 1.00 0.00 C ATOM 781 CD ARG A 50 6.543 20.500 -4.667 1.00 0.00 C ATOM 782 NE ARG A 50 6.250 20.992 -3.317 1.00 0.00 N ATOM 783 CZ ARG A 50 6.215 22.282 -2.975 1.00 0.00 C ATOM 784 NH1 ARG A 50 6.457 23.234 -3.869 1.00 0.00 N ATOM 785 NH2 ARG A 50 5.940 22.629 -1.718 1.00 0.00 N ATOM 0 H ARG A 50 2.443 17.876 -4.950 1.00 0.00 H new ATOM 0 HA ARG A 50 2.617 20.626 -5.842 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.065 19.646 -4.050 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.719 18.502 -5.206 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.595 20.356 -6.598 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.862 21.537 -5.531 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.914 19.477 -4.609 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.336 21.102 -5.110 1.00 0.00 H new ATOM 0 HE ARG A 50 6.060 20.302 -2.590 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.674 22.984 -4.834 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.426 24.215 -3.591 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.757 21.909 -1.019 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.913 23.614 -1.455 1.00 0.00 H new ATOM 799 N ILE A 51 3.396 18.139 -7.862 1.00 0.00 N ATOM 800 CA ILE A 51 3.595 17.858 -9.277 1.00 0.00 C ATOM 801 C ILE A 51 2.380 18.363 -10.064 1.00 0.00 C ATOM 802 O ILE A 51 2.452 18.542 -11.281 1.00 0.00 O ATOM 803 CB ILE A 51 3.903 16.369 -9.514 1.00 0.00 C ATOM 804 CG1 ILE A 51 5.322 16.020 -9.038 1.00 0.00 C ATOM 805 CG2 ILE A 51 3.861 16.022 -11.005 1.00 0.00 C ATOM 806 CD1 ILE A 51 5.425 15.902 -7.523 1.00 0.00 C ATOM 0 H ILE A 51 3.321 17.313 -7.269 1.00 0.00 H new ATOM 0 HA ILE A 51 4.471 18.393 -9.643 1.00 0.00 H new ATOM 0 HB ILE A 51 3.148 15.811 -8.960 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.632 15.079 -9.493 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.015 16.786 -9.386 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.083 14.963 -11.139 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.869 16.238 -11.401 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.602 16.618 -11.538 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.450 15.654 -7.246 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.144 16.850 -7.064 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.755 15.117 -7.173 1.00 0.00 H new ATOM 1635 N MET C 1 12.215 -0.097 -7.324 1.00 0.00 N ATOM 1636 CA MET C 1 11.608 0.078 -5.991 1.00 0.00 C ATOM 1637 C MET C 1 11.696 1.527 -5.543 1.00 0.00 C ATOM 1638 O MET C 1 12.750 2.140 -5.657 1.00 0.00 O ATOM 1639 CB MET C 1 12.326 -0.781 -4.946 1.00 0.00 C ATOM 1640 CG MET C 1 11.749 -0.554 -3.547 1.00 0.00 C ATOM 1641 SD MET C 1 10.135 -1.305 -3.262 1.00 0.00 S ATOM 1642 CE MET C 1 10.733 -2.977 -2.935 1.00 0.00 C ATOM 0 H1 MET C 1 12.779 -0.971 -7.337 1.00 0.00 H new ATOM 0 H2 MET C 1 11.465 -0.159 -8.042 1.00 0.00 H new ATOM 0 H3 MET C 1 12.830 0.715 -7.535 1.00 0.00 H new ATOM 0 HA MET C 1 10.565 -0.227 -6.073 1.00 0.00 H new ATOM 0 HB2 MET C 1 12.235 -1.834 -5.213 1.00 0.00 H new ATOM 0 HB3 MET C 1 13.390 -0.543 -4.946 1.00 0.00 H new ATOM 0 HG2 MET C 1 12.451 -0.947 -2.812 1.00 0.00 H new ATOM 0 HG3 MET C 1 11.671 0.519 -3.372 1.00 0.00 H new ATOM 0 HE1 MET C 1 9.900 -3.607 -2.624 1.00 0.00 H new ATOM 0 HE2 MET C 1 11.180 -3.387 -3.841 1.00 0.00 H new ATOM 0 HE3 MET C 1 11.481 -2.947 -2.143 1.00 0.00 H new ATOM 1654 N LEU C 2 10.591 2.071 -5.033 1.00 0.00 N ATOM 1655 CA LEU C 2 10.572 3.400 -4.447 1.00 0.00 C ATOM 1656 C LEU C 2 9.943 3.254 -3.059 1.00 0.00 C ATOM 1657 O LEU C 2 8.732 3.083 -2.936 1.00 0.00 O ATOM 1658 CB LEU C 2 9.806 4.338 -5.388 1.00 0.00 C ATOM 1659 CG LEU C 2 9.901 5.832 -5.054 1.00 0.00 C ATOM 1660 CD1 LEU C 2 8.618 6.279 -4.372 1.00 0.00 C ATOM 1661 CD2 LEU C 2 11.068 6.206 -4.149 1.00 0.00 C ATOM 0 H LEU C 2 9.687 1.598 -5.017 1.00 0.00 H new ATOM 0 HA LEU C 2 11.562 3.840 -4.325 1.00 0.00 H new ATOM 0 HB2 LEU C 2 10.175 4.186 -6.403 1.00 0.00 H new ATOM 0 HB3 LEU C 2 8.755 4.049 -5.384 1.00 0.00 H new ATOM 0 HG LEU C 2 10.063 6.334 -6.008 1.00 0.00 H new ATOM 0 HD11 LEU C 2 8.683 7.341 -4.134 1.00 0.00 H new ATOM 0 HD12 LEU C 2 7.773 6.108 -5.039 1.00 0.00 H new ATOM 0 HD13 LEU C 2 8.476 5.709 -3.454 1.00 0.00 H new ATOM 0 HD21 LEU C 2 11.057 7.280 -3.966 1.00 0.00 H new ATOM 0 HD22 LEU C 2 10.978 5.675 -3.201 1.00 0.00 H new ATOM 0 HD23 LEU C 2 12.006 5.930 -4.632 1.00 0.00 H new ATOM 1673 N ILE C 3 10.781 3.318 -2.019 1.00 0.00 N ATOM 1674 CA ILE C 3 10.347 3.190 -0.635 1.00 0.00 C ATOM 1675 C ILE C 3 9.747 4.515 -0.183 1.00 0.00 C ATOM 1676 O ILE C 3 10.210 5.579 -0.592 1.00 0.00 O ATOM 1677 CB ILE C 3 11.516 2.843 0.305 1.00 0.00 C ATOM 1678 CG1 ILE C 3 12.077 1.433 0.080 1.00 0.00 C ATOM 1679 CG2 ILE C 3 11.006 2.875 1.751 1.00 0.00 C ATOM 1680 CD1 ILE C 3 13.107 1.390 -1.045 1.00 0.00 C ATOM 0 H ILE C 3 11.786 3.461 -2.121 1.00 0.00 H new ATOM 0 HA ILE C 3 9.616 2.383 -0.587 1.00 0.00 H new ATOM 0 HB ILE C 3 12.302 3.571 0.104 1.00 0.00 H new ATOM 0 HG12 ILE C 3 12.535 1.076 1.002 1.00 0.00 H new ATOM 0 HG13 ILE C 3 11.259 0.752 -0.154 1.00 0.00 H new ATOM 0 HG21 ILE C 3 11.823 2.631 2.430 1.00 0.00 H new ATOM 0 HG22 ILE C 3 10.628 3.871 1.981 1.00 0.00 H new ATOM 0 HG23 ILE C 3 10.205 2.146 1.870 1.00 0.00 H new ATOM 0 HD11 ILE C 3 13.473 0.370 -1.164 1.00 0.00 H new ATOM 0 HD12 ILE C 3 12.644 1.720 -1.975 1.00 0.00 H new ATOM 0 HD13 ILE C 3 13.940 2.049 -0.801 1.00 0.00 H new ATOM 1692 N LEU C 4 8.722 4.439 0.667 1.00 0.00 N ATOM 1693 CA LEU C 4 8.135 5.591 1.329 1.00 0.00 C ATOM 1694 C LEU C 4 7.739 5.167 2.739 1.00 0.00 C ATOM 1695 O LEU C 4 7.138 4.109 2.919 1.00 0.00 O ATOM 1696 CB LEU C 4 6.898 6.064 0.558 1.00 0.00 C ATOM 1697 CG LEU C 4 7.220 6.616 -0.834 1.00 0.00 C ATOM 1698 CD1 LEU C 4 5.914 6.932 -1.559 1.00 0.00 C ATOM 1699 CD2 LEU C 4 8.045 7.902 -0.752 1.00 0.00 C ATOM 0 H LEU C 4 8.273 3.557 0.915 1.00 0.00 H new ATOM 0 HA LEU C 4 8.850 6.413 1.366 1.00 0.00 H new ATOM 0 HB2 LEU C 4 6.202 5.231 0.458 1.00 0.00 H new ATOM 0 HB3 LEU C 4 6.391 6.835 1.138 1.00 0.00 H new ATOM 0 HG LEU C 4 7.798 5.862 -1.369 1.00 0.00 H new ATOM 0 HD11 LEU C 4 6.135 7.326 -2.551 1.00 0.00 H new ATOM 0 HD12 LEU C 4 5.321 6.022 -1.653 1.00 0.00 H new ATOM 0 HD13 LEU C 4 5.353 7.674 -0.991 1.00 0.00 H new ATOM 0 HD21 LEU C 4 8.255 8.265 -1.758 1.00 0.00 H new ATOM 0 HD22 LEU C 4 7.485 8.659 -0.203 1.00 0.00 H new ATOM 0 HD23 LEU C 4 8.984 7.700 -0.236 1.00 0.00 H new ATOM 1711 N THR C 5 8.066 5.990 3.739 1.00 0.00 N ATOM 1712 CA THR C 5 7.637 5.736 5.107 1.00 0.00 C ATOM 1713 C THR C 5 6.354 6.508 5.354 1.00 0.00 C ATOM 1714 O THR C 5 6.195 7.622 4.852 1.00 0.00 O ATOM 1715 CB THR C 5 8.699 6.183 6.117 1.00 0.00 C ATOM 1716 OG1 THR C 5 9.113 7.504 5.857 1.00 0.00 O ATOM 1717 CG2 THR C 5 9.911 5.270 6.040 1.00 0.00 C ATOM 0 H THR C 5 8.625 6.835 3.622 1.00 0.00 H new ATOM 0 HA THR C 5 7.481 4.665 5.236 1.00 0.00 H new ATOM 0 HB THR C 5 8.256 6.133 7.112 1.00 0.00 H new ATOM 0 HG1 THR C 5 9.790 7.770 6.514 1.00 0.00 H new ATOM 0 HG21 THR C 5 10.659 5.597 6.762 1.00 0.00 H new ATOM 0 HG22 THR C 5 9.611 4.247 6.267 1.00 0.00 H new ATOM 0 HG23 THR C 5 10.334 5.310 5.036 1.00 0.00 H new ATOM 1725 N ARG C 6 5.437 5.920 6.122 1.00 0.00 N ATOM 1726 CA ARG C 6 4.185 6.589 6.430 1.00 0.00 C ATOM 1727 C ARG C 6 3.707 6.197 7.819 1.00 0.00 C ATOM 1728 O ARG C 6 3.746 5.019 8.172 1.00 0.00 O ATOM 1729 CB ARG C 6 3.174 6.189 5.351 1.00 0.00 C ATOM 1730 CG ARG C 6 1.979 7.135 5.242 1.00 0.00 C ATOM 1731 CD ARG C 6 2.363 8.517 4.697 1.00 0.00 C ATOM 1732 NE ARG C 6 2.918 9.391 5.740 1.00 0.00 N ATOM 1733 CZ ARG C 6 3.975 10.194 5.590 1.00 0.00 C ATOM 1734 NH1 ARG C 6 4.622 10.280 4.431 1.00 0.00 N ATOM 1735 NH2 ARG C 6 4.389 10.919 6.622 1.00 0.00 N ATOM 0 H ARG C 6 5.540 4.993 6.535 1.00 0.00 H new ATOM 0 HA ARG C 6 4.309 7.672 6.433 1.00 0.00 H new ATOM 0 HB2 ARG C 6 3.682 6.149 4.388 1.00 0.00 H new ATOM 0 HB3 ARG C 6 2.811 5.183 5.562 1.00 0.00 H new ATOM 0 HG2 ARG C 6 1.227 6.689 4.592 1.00 0.00 H new ATOM 0 HG3 ARG C 6 1.522 7.251 6.225 1.00 0.00 H new ATOM 0 HD2 ARG C 6 3.094 8.400 3.897 1.00 0.00 H new ATOM 0 HD3 ARG C 6 1.484 8.990 4.259 1.00 0.00 H new ATOM 0 HE ARG C 6 2.460 9.384 6.651 1.00 0.00 H new ATOM 0 HH11 ARG C 6 4.314 9.726 3.632 1.00 0.00 H new ATOM 0 HH12 ARG C 6 5.427 10.900 4.341 1.00 0.00 H new ATOM 0 HH21 ARG C 6 3.901 10.859 7.516 1.00 0.00 H new ATOM 0 HH22 ARG C 6 5.195 11.536 6.521 1.00 0.00 H new ATOM 1749 N LYS C 7 3.256 7.175 8.612 1.00 0.00 N ATOM 1750 CA LYS C 7 2.690 6.896 9.926 1.00 0.00 C ATOM 1751 C LYS C 7 1.221 6.526 9.740 1.00 0.00 C ATOM 1752 O LYS C 7 0.573 7.017 8.811 1.00 0.00 O ATOM 1753 CB LYS C 7 2.830 8.137 10.813 1.00 0.00 C ATOM 1754 CG LYS C 7 3.351 7.813 12.220 1.00 0.00 C ATOM 1755 CD LYS C 7 4.820 7.375 12.206 1.00 0.00 C ATOM 1756 CE LYS C 7 5.358 7.170 13.623 1.00 0.00 C ATOM 1757 NZ LYS C 7 5.363 8.427 14.391 1.00 0.00 N ATOM 0 H LYS C 7 3.274 8.164 8.363 1.00 0.00 H new ATOM 0 HA LYS C 7 3.214 6.071 10.409 1.00 0.00 H new ATOM 0 HB2 LYS C 7 3.508 8.844 10.335 1.00 0.00 H new ATOM 0 HB3 LYS C 7 1.861 8.629 10.895 1.00 0.00 H new ATOM 0 HG2 LYS C 7 3.241 8.690 12.857 1.00 0.00 H new ATOM 0 HG3 LYS C 7 2.742 7.022 12.658 1.00 0.00 H new ATOM 0 HD2 LYS C 7 4.919 6.448 11.641 1.00 0.00 H new ATOM 0 HD3 LYS C 7 5.420 8.127 11.693 1.00 0.00 H new ATOM 0 HE2 LYS C 7 4.748 6.430 14.140 1.00 0.00 H new ATOM 0 HE3 LYS C 7 6.371 6.770 13.573 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 5.983 8.325 15.219 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 5.713 9.200 13.789 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 4.396 8.645 14.707 1.00 0.00 H new ATOM 1771 N VAL C 8 0.684 5.667 10.608 1.00 0.00 N ATOM 1772 CA VAL C 8 -0.711 5.258 10.495 1.00 0.00 C ATOM 1773 C VAL C 8 -1.605 6.496 10.520 1.00 0.00 C ATOM 1774 O VAL C 8 -1.447 7.365 11.378 1.00 0.00 O ATOM 1775 CB VAL C 8 -1.082 4.242 11.581 1.00 0.00 C ATOM 1776 CG1 VAL C 8 -0.185 3.012 11.466 1.00 0.00 C ATOM 1777 CG2 VAL C 8 -0.958 4.797 12.998 1.00 0.00 C ATOM 0 H VAL C 8 1.190 5.247 11.388 1.00 0.00 H new ATOM 0 HA VAL C 8 -0.864 4.750 9.543 1.00 0.00 H new ATOM 0 HB VAL C 8 -2.129 3.988 11.415 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -0.453 2.293 12.240 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -0.317 2.555 10.485 1.00 0.00 H new ATOM 0 HG13 VAL C 8 0.857 3.308 11.591 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -1.236 4.026 13.716 1.00 0.00 H new ATOM 0 HG22 VAL C 8 0.071 5.108 13.178 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -1.621 5.655 13.112 1.00 0.00 H new ATOM 1787 N GLY C 9 -2.549 6.575 9.577 1.00 0.00 N ATOM 1788 CA GLY C 9 -3.473 7.699 9.488 1.00 0.00 C ATOM 1789 C GLY C 9 -3.122 8.664 8.351 1.00 0.00 C ATOM 1790 O GLY C 9 -3.818 9.662 8.175 1.00 0.00 O ATOM 0 H GLY C 9 -2.690 5.864 8.860 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -4.485 7.322 9.339 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -3.471 8.242 10.433 1.00 0.00 H new ATOM 1794 N GLU C 10 -2.066 8.385 7.579 1.00 0.00 N ATOM 1795 CA GLU C 10 -1.646 9.251 6.480 1.00 0.00 C ATOM 1796 C GLU C 10 -1.788 8.537 5.132 1.00 0.00 C ATOM 1797 O GLU C 10 -2.282 7.411 5.076 1.00 0.00 O ATOM 1798 CB GLU C 10 -0.215 9.733 6.731 1.00 0.00 C ATOM 1799 CG GLU C 10 -0.111 10.511 8.042 1.00 0.00 C ATOM 1800 CD GLU C 10 1.312 11.013 8.271 1.00 0.00 C ATOM 1801 OE1 GLU C 10 2.229 10.163 8.276 1.00 0.00 O ATOM 1802 OE2 GLU C 10 1.473 12.243 8.442 1.00 0.00 O ATOM 0 H GLU C 10 -1.483 7.556 7.700 1.00 0.00 H new ATOM 0 HA GLU C 10 -2.297 10.124 6.437 1.00 0.00 H new ATOM 0 HB2 GLU C 10 0.459 8.877 6.760 1.00 0.00 H new ATOM 0 HB3 GLU C 10 0.108 10.366 5.904 1.00 0.00 H new ATOM 0 HG2 GLU C 10 -0.799 11.356 8.023 1.00 0.00 H new ATOM 0 HG3 GLU C 10 -0.413 9.873 8.872 1.00 0.00 H new ATOM 1809 N SER C 11 -1.355 9.184 4.037 1.00 0.00 N ATOM 1810 CA SER C 11 -1.633 8.697 2.688 1.00 0.00 C ATOM 1811 C SER C 11 -0.467 8.869 1.710 1.00 0.00 C ATOM 1812 O SER C 11 0.519 9.546 2.005 1.00 0.00 O ATOM 1813 CB SER C 11 -2.856 9.431 2.139 1.00 0.00 C ATOM 1814 OG SER C 11 -3.964 9.246 2.995 1.00 0.00 O ATOM 0 H SER C 11 -0.811 10.046 4.067 1.00 0.00 H new ATOM 0 HA SER C 11 -1.808 7.625 2.774 1.00 0.00 H new ATOM 0 HB2 SER C 11 -2.637 10.494 2.041 1.00 0.00 H new ATOM 0 HB3 SER C 11 -3.093 9.061 1.141 1.00 0.00 H new ATOM 0 HG SER C 11 -4.740 9.722 2.633 1.00 0.00 H new ATOM 1820 N ILE C 12 -0.602 8.238 0.537 1.00 0.00 N ATOM 1821 CA ILE C 12 0.375 8.205 -0.551 1.00 0.00 C ATOM 1822 C ILE C 12 -0.409 8.217 -1.874 1.00 0.00 C ATOM 1823 O ILE C 12 -1.618 7.988 -1.869 1.00 0.00 O ATOM 1824 CB ILE C 12 1.263 6.952 -0.399 1.00 0.00 C ATOM 1825 CG1 ILE C 12 2.033 7.028 0.927 1.00 0.00 C ATOM 1826 CG2 ILE C 12 2.247 6.795 -1.561 1.00 0.00 C ATOM 1827 CD1 ILE C 12 2.958 5.828 1.134 1.00 0.00 C ATOM 0 H ILE C 12 -1.444 7.708 0.312 1.00 0.00 H new ATOM 0 HA ILE C 12 1.040 9.068 -0.531 1.00 0.00 H new ATOM 0 HB ILE C 12 0.609 6.080 -0.406 1.00 0.00 H new ATOM 0 HG12 ILE C 12 2.622 7.945 0.950 1.00 0.00 H new ATOM 0 HG13 ILE C 12 1.324 7.083 1.753 1.00 0.00 H new ATOM 0 HG21 ILE C 12 2.850 5.900 -1.409 1.00 0.00 H new ATOM 0 HG22 ILE C 12 1.694 6.706 -2.496 1.00 0.00 H new ATOM 0 HG23 ILE C 12 2.899 7.668 -1.606 1.00 0.00 H new ATOM 0 HD11 ILE C 12 3.479 5.930 2.086 1.00 0.00 H new ATOM 0 HD12 ILE C 12 2.369 4.911 1.140 1.00 0.00 H new ATOM 0 HD13 ILE C 12 3.686 5.786 0.324 1.00 0.00 H new ATOM 1839 N ASN C 13 0.246 8.477 -3.010 1.00 0.00 N ATOM 1840 CA ASN C 13 -0.428 8.576 -4.299 1.00 0.00 C ATOM 1841 C ASN C 13 0.348 7.902 -5.429 1.00 0.00 C ATOM 1842 O ASN C 13 1.568 7.762 -5.374 1.00 0.00 O ATOM 1843 CB ASN C 13 -0.644 10.053 -4.635 1.00 0.00 C ATOM 1844 CG ASN C 13 -1.913 10.570 -3.986 1.00 0.00 C ATOM 1845 OD1 ASN C 13 -1.871 11.243 -2.961 1.00 0.00 O ATOM 1846 ND2 ASN C 13 -3.057 10.256 -4.583 1.00 0.00 N ATOM 0 H ASN C 13 1.254 8.624 -3.057 1.00 0.00 H new ATOM 0 HA ASN C 13 -1.380 8.052 -4.213 1.00 0.00 H new ATOM 0 HB2 ASN C 13 0.210 10.638 -4.293 1.00 0.00 H new ATOM 0 HB3 ASN C 13 -0.704 10.180 -5.716 1.00 0.00 H new ATOM 0 HD21 ASN C 13 -3.942 10.577 -4.190 1.00 0.00 H new ATOM 0 HD22 ASN C 13 -3.051 9.694 -5.434 1.00 0.00 H new ATOM 1853 N ILE C 14 -0.393 7.482 -6.459 1.00 0.00 N ATOM 1854 CA ILE C 14 0.150 6.827 -7.642 1.00 0.00 C ATOM 1855 C ILE C 14 -0.613 7.332 -8.863 1.00 0.00 C ATOM 1856 O ILE C 14 -1.820 7.562 -8.799 1.00 0.00 O ATOM 1857 CB ILE C 14 0.015 5.299 -7.504 1.00 0.00 C ATOM 1858 CG1 ILE C 14 0.737 4.806 -6.246 1.00 0.00 C ATOM 1859 CG2 ILE C 14 0.590 4.612 -8.745 1.00 0.00 C ATOM 1860 CD1 ILE C 14 0.615 3.294 -6.060 1.00 0.00 C ATOM 0 H ILE C 14 -1.407 7.592 -6.490 1.00 0.00 H new ATOM 0 HA ILE C 14 1.209 7.060 -7.754 1.00 0.00 H new ATOM 0 HB ILE C 14 -1.042 5.049 -7.414 1.00 0.00 H new ATOM 0 HG12 ILE C 14 1.791 5.078 -6.305 1.00 0.00 H new ATOM 0 HG13 ILE C 14 0.325 5.311 -5.372 1.00 0.00 H new ATOM 0 HG21 ILE C 14 0.492 3.531 -8.641 1.00 0.00 H new ATOM 0 HG22 ILE C 14 0.045 4.943 -9.629 1.00 0.00 H new ATOM 0 HG23 ILE C 14 1.643 4.872 -8.850 1.00 0.00 H new ATOM 0 HD11 ILE C 14 1.143 2.995 -5.155 1.00 0.00 H new ATOM 0 HD12 ILE C 14 -0.437 3.022 -5.973 1.00 0.00 H new ATOM 0 HD13 ILE C 14 1.051 2.785 -6.920 1.00 0.00 H new ATOM 1872 N GLY C 15 0.096 7.507 -9.985 1.00 0.00 N ATOM 1873 CA GLY C 15 -0.486 8.035 -11.209 1.00 0.00 C ATOM 1874 C GLY C 15 -1.191 9.358 -10.932 1.00 0.00 C ATOM 1875 O GLY C 15 -0.707 10.174 -10.151 1.00 0.00 O ATOM 0 H GLY C 15 1.088 7.284 -10.062 1.00 0.00 H new ATOM 0 HA2 GLY C 15 0.293 8.180 -11.957 1.00 0.00 H new ATOM 0 HA3 GLY C 15 -1.195 7.317 -11.622 1.00 0.00 H new ATOM 1879 N ASP C 16 -2.338 9.558 -11.578 1.00 0.00 N ATOM 1880 CA ASP C 16 -3.173 10.733 -11.388 1.00 0.00 C ATOM 1881 C ASP C 16 -4.622 10.316 -11.132 1.00 0.00 C ATOM 1882 O ASP C 16 -5.525 11.149 -11.152 1.00 0.00 O ATOM 1883 CB ASP C 16 -3.031 11.686 -12.578 1.00 0.00 C ATOM 1884 CG ASP C 16 -3.587 11.102 -13.874 1.00 0.00 C ATOM 1885 OD1 ASP C 16 -3.029 10.085 -14.349 1.00 0.00 O ATOM 1886 OD2 ASP C 16 -4.574 11.680 -14.387 1.00 0.00 O ATOM 0 H ASP C 16 -2.715 8.897 -12.257 1.00 0.00 H new ATOM 0 HA ASP C 16 -2.839 11.279 -10.506 1.00 0.00 H new ATOM 0 HB2 ASP C 16 -3.548 12.619 -12.354 1.00 0.00 H new ATOM 0 HB3 ASP C 16 -1.978 11.931 -12.718 1.00 0.00 H new ATOM 1891 N ASP C 17 -4.838 9.017 -10.894 1.00 0.00 N ATOM 1892 CA ASP C 17 -6.160 8.451 -10.640 1.00 0.00 C ATOM 1893 C ASP C 17 -6.134 7.446 -9.486 1.00 0.00 C ATOM 1894 O ASP C 17 -7.137 6.775 -9.252 1.00 0.00 O ATOM 1895 CB ASP C 17 -6.692 7.775 -11.908 1.00 0.00 C ATOM 1896 CG ASP C 17 -6.937 8.770 -13.040 1.00 0.00 C ATOM 1897 OD1 ASP C 17 -7.843 9.617 -12.880 1.00 0.00 O ATOM 1898 OD2 ASP C 17 -6.215 8.674 -14.055 1.00 0.00 O ATOM 0 H ASP C 17 -4.089 8.325 -10.873 1.00 0.00 H new ATOM 0 HA ASP C 17 -6.822 9.269 -10.355 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -5.980 7.020 -12.240 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -7.622 7.256 -11.677 1.00 0.00 H new ATOM 1903 N ILE C 18 -5.015 7.325 -8.755 1.00 0.00 N ATOM 1904 CA ILE C 18 -4.936 6.376 -7.652 1.00 0.00 C ATOM 1905 C ILE C 18 -4.393 7.048 -6.395 1.00 0.00 C ATOM 1906 O ILE C 18 -3.559 7.951 -6.455 1.00 0.00 O ATOM 1907 CB ILE C 18 -4.069 5.164 -8.037 1.00 0.00 C ATOM 1908 CG1 ILE C 18 -4.573 4.449 -9.301 1.00 0.00 C ATOM 1909 CG2 ILE C 18 -4.065 4.142 -6.898 1.00 0.00 C ATOM 1910 CD1 ILE C 18 -3.946 5.023 -10.571 1.00 0.00 C ATOM 0 H ILE C 18 -4.166 7.869 -8.911 1.00 0.00 H new ATOM 0 HA ILE C 18 -5.944 6.021 -7.439 1.00 0.00 H new ATOM 0 HB ILE C 18 -3.069 5.553 -8.231 1.00 0.00 H new ATOM 0 HG12 ILE C 18 -4.344 3.386 -9.232 1.00 0.00 H new ATOM 0 HG13 ILE C 18 -5.658 4.538 -9.360 1.00 0.00 H new ATOM 0 HG21 ILE C 18 -3.449 3.287 -7.178 1.00 0.00 H new ATOM 0 HG22 ILE C 18 -3.659 4.602 -5.997 1.00 0.00 H new ATOM 0 HG23 ILE C 18 -5.084 3.807 -6.706 1.00 0.00 H new ATOM 0 HD11 ILE C 18 -4.330 4.489 -11.440 1.00 0.00 H new ATOM 0 HD12 ILE C 18 -4.197 6.080 -10.655 1.00 0.00 H new ATOM 0 HD13 ILE C 18 -2.863 4.910 -10.525 1.00 0.00 H new ATOM 1922 N THR C 19 -4.887 6.588 -5.242 1.00 0.00 N ATOM 1923 CA THR C 19 -4.466 7.053 -3.930 1.00 0.00 C ATOM 1924 C THR C 19 -4.339 5.841 -3.014 1.00 0.00 C ATOM 1925 O THR C 19 -4.985 4.819 -3.242 1.00 0.00 O ATOM 1926 CB THR C 19 -5.495 8.049 -3.375 1.00 0.00 C ATOM 1927 OG1 THR C 19 -5.713 9.094 -4.298 1.00 0.00 O ATOM 1928 CG2 THR C 19 -5.029 8.663 -2.055 1.00 0.00 C ATOM 0 H THR C 19 -5.606 5.866 -5.201 1.00 0.00 H new ATOM 0 HA THR C 19 -3.506 7.564 -3.996 1.00 0.00 H new ATOM 0 HB THR C 19 -6.417 7.494 -3.204 1.00 0.00 H new ATOM 0 HG1 THR C 19 -6.372 9.721 -3.933 1.00 0.00 H new ATOM 0 HG21 THR C 19 -5.783 9.362 -1.693 1.00 0.00 H new ATOM 0 HG22 THR C 19 -4.883 7.873 -1.318 1.00 0.00 H new ATOM 0 HG23 THR C 19 -4.089 9.192 -2.212 1.00 0.00 H new ATOM 1936 N ILE C 20 -3.506 5.959 -1.978 1.00 0.00 N ATOM 1937 CA ILE C 20 -3.201 4.882 -1.049 1.00 0.00 C ATOM 1938 C ILE C 20 -3.267 5.440 0.369 1.00 0.00 C ATOM 1939 O ILE C 20 -2.976 6.615 0.586 1.00 0.00 O ATOM 1940 CB ILE C 20 -1.787 4.353 -1.341 1.00 0.00 C ATOM 1941 CG1 ILE C 20 -1.612 3.892 -2.797 1.00 0.00 C ATOM 1942 CG2 ILE C 20 -1.431 3.206 -0.389 1.00 0.00 C ATOM 1943 CD1 ILE C 20 -2.452 2.663 -3.136 1.00 0.00 C ATOM 0 H ILE C 20 -3.017 6.827 -1.761 1.00 0.00 H new ATOM 0 HA ILE C 20 -3.915 4.066 -1.157 1.00 0.00 H new ATOM 0 HB ILE C 20 -1.106 5.189 -1.180 1.00 0.00 H new ATOM 0 HG12 ILE C 20 -1.884 4.708 -3.466 1.00 0.00 H new ATOM 0 HG13 ILE C 20 -0.561 3.669 -2.978 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -0.427 2.846 -0.612 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -1.468 3.563 0.640 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -2.145 2.392 -0.517 1.00 0.00 H new ATOM 0 HD11 ILE C 20 -2.286 2.385 -4.177 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -2.163 1.835 -2.489 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -3.507 2.890 -2.985 1.00 0.00 H new ATOM 1955 N THR C 21 -3.649 4.605 1.337 1.00 0.00 N ATOM 1956 CA THR C 21 -3.778 5.027 2.725 1.00 0.00 C ATOM 1957 C THR C 21 -3.280 3.915 3.642 1.00 0.00 C ATOM 1958 O THR C 21 -3.381 2.736 3.309 1.00 0.00 O ATOM 1959 CB THR C 21 -5.249 5.344 3.028 1.00 0.00 C ATOM 1960 OG1 THR C 21 -5.773 6.215 2.050 1.00 0.00 O ATOM 1961 CG2 THR C 21 -5.406 6.016 4.391 1.00 0.00 C ATOM 0 H THR C 21 -3.876 3.623 1.178 1.00 0.00 H new ATOM 0 HA THR C 21 -3.180 5.922 2.895 1.00 0.00 H new ATOM 0 HB THR C 21 -5.788 4.397 3.026 1.00 0.00 H new ATOM 0 HG1 THR C 21 -6.712 6.408 2.253 1.00 0.00 H new ATOM 0 HG21 THR C 21 -6.460 6.227 4.574 1.00 0.00 H new ATOM 0 HG22 THR C 21 -5.028 5.353 5.169 1.00 0.00 H new ATOM 0 HG23 THR C 21 -4.842 6.949 4.404 1.00 0.00 H new ATOM 1969 N ILE C 22 -2.738 4.297 4.801 1.00 0.00 N ATOM 1970 CA ILE C 22 -2.261 3.356 5.803 1.00 0.00 C ATOM 1971 C ILE C 22 -3.191 3.444 7.010 1.00 0.00 C ATOM 1972 O ILE C 22 -2.994 4.242 7.924 1.00 0.00 O ATOM 1973 CB ILE C 22 -0.776 3.605 6.117 1.00 0.00 C ATOM 1974 CG1 ILE C 22 -0.301 2.792 7.324 1.00 0.00 C ATOM 1975 CG2 ILE C 22 -0.466 5.077 6.375 1.00 0.00 C ATOM 1976 CD1 ILE C 22 -0.568 1.298 7.151 1.00 0.00 C ATOM 0 H ILE C 22 -2.620 5.275 5.067 1.00 0.00 H new ATOM 0 HA ILE C 22 -2.295 2.329 5.440 1.00 0.00 H new ATOM 0 HB ILE C 22 -0.240 3.283 5.224 1.00 0.00 H new ATOM 0 HG12 ILE C 22 0.767 2.954 7.472 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -0.806 3.148 8.222 1.00 0.00 H new ATOM 0 HG21 ILE C 22 0.596 5.193 6.591 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -0.723 5.663 5.492 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -1.050 5.428 7.226 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -0.215 0.761 8.031 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -1.638 1.131 7.030 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -0.042 0.934 6.269 1.00 0.00 H new ATOM 1988 N LEU C 23 -4.223 2.597 7.001 1.00 0.00 N ATOM 1989 CA LEU C 23 -5.279 2.631 8.002 1.00 0.00 C ATOM 1990 C LEU C 23 -4.746 2.247 9.382 1.00 0.00 C ATOM 1991 O LEU C 23 -5.234 2.752 10.392 1.00 0.00 O ATOM 1992 CB LEU C 23 -6.398 1.676 7.588 1.00 0.00 C ATOM 1993 CG LEU C 23 -6.869 1.892 6.146 1.00 0.00 C ATOM 1994 CD1 LEU C 23 -7.977 0.899 5.829 1.00 0.00 C ATOM 1995 CD2 LEU C 23 -7.416 3.301 5.938 1.00 0.00 C ATOM 0 H LEU C 23 -4.345 1.869 6.297 1.00 0.00 H new ATOM 0 HA LEU C 23 -5.666 3.648 8.065 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -6.051 0.649 7.701 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -7.244 1.803 8.263 1.00 0.00 H new ATOM 0 HG LEU C 23 -6.011 1.749 5.489 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -8.317 1.048 4.804 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -7.598 -0.117 5.942 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -8.811 1.054 6.513 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -7.740 3.416 4.904 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -8.263 3.464 6.604 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -6.636 4.030 6.157 1.00 0.00 H new ATOM 2007 N GLY C 24 -3.749 1.359 9.441 1.00 0.00 N ATOM 2008 CA GLY C 24 -3.111 1.024 10.708 1.00 0.00 C ATOM 2009 C GLY C 24 -2.372 -0.305 10.661 1.00 0.00 C ATOM 2010 O GLY C 24 -2.228 -0.902 9.594 1.00 0.00 O ATOM 0 H GLY C 24 -3.372 0.866 8.632 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -2.411 1.815 10.978 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -3.867 0.987 11.492 1.00 0.00 H new ATOM 2014 N VAL C 25 -1.904 -0.769 11.826 1.00 0.00 N ATOM 2015 CA VAL C 25 -1.201 -2.041 11.942 1.00 0.00 C ATOM 2016 C VAL C 25 -1.757 -2.834 13.126 1.00 0.00 C ATOM 2017 O VAL C 25 -2.411 -2.277 14.008 1.00 0.00 O ATOM 2018 CB VAL C 25 0.317 -1.831 12.088 1.00 0.00 C ATOM 2019 CG1 VAL C 25 0.839 -0.849 11.036 1.00 0.00 C ATOM 2020 CG2 VAL C 25 0.683 -1.314 13.477 1.00 0.00 C ATOM 0 H VAL C 25 -2.004 -0.270 12.710 1.00 0.00 H new ATOM 0 HA VAL C 25 -1.364 -2.610 11.027 1.00 0.00 H new ATOM 0 HB VAL C 25 0.785 -2.804 11.941 1.00 0.00 H new ATOM 0 HG11 VAL C 25 1.914 -0.719 11.162 1.00 0.00 H new ATOM 0 HG12 VAL C 25 0.635 -1.241 10.040 1.00 0.00 H new ATOM 0 HG13 VAL C 25 0.340 0.113 11.157 1.00 0.00 H new ATOM 0 HG21 VAL C 25 1.763 -1.178 13.542 1.00 0.00 H new ATOM 0 HG22 VAL C 25 0.186 -0.360 13.653 1.00 0.00 H new ATOM 0 HG23 VAL C 25 0.362 -2.034 14.230 1.00 0.00 H new ATOM 2030 N SER C 26 -1.482 -4.138 13.133 1.00 0.00 N ATOM 2031 CA SER C 26 -1.908 -5.059 14.176 1.00 0.00 C ATOM 2032 C SER C 26 -0.820 -6.118 14.316 1.00 0.00 C ATOM 2033 O SER C 26 -0.929 -7.209 13.763 1.00 0.00 O ATOM 2034 CB SER C 26 -3.253 -5.697 13.825 1.00 0.00 C ATOM 2035 OG SER C 26 -4.254 -4.709 13.728 1.00 0.00 O ATOM 0 H SER C 26 -0.944 -4.590 12.394 1.00 0.00 H new ATOM 0 HA SER C 26 -2.048 -4.531 15.119 1.00 0.00 H new ATOM 0 HB2 SER C 26 -3.172 -6.236 12.881 1.00 0.00 H new ATOM 0 HB3 SER C 26 -3.526 -6.427 14.587 1.00 0.00 H new ATOM 0 HG SER C 26 -5.109 -5.131 13.501 1.00 0.00 H new ATOM 2041 N GLY C 27 0.239 -5.788 15.059 1.00 0.00 N ATOM 2042 CA GLY C 27 1.413 -6.635 15.123 1.00 0.00 C ATOM 2043 C GLY C 27 2.193 -6.445 13.828 1.00 0.00 C ATOM 2044 O GLY C 27 2.690 -5.352 13.560 1.00 0.00 O ATOM 0 H GLY C 27 0.299 -4.939 15.621 1.00 0.00 H new ATOM 0 HA2 GLY C 27 2.029 -6.371 15.983 1.00 0.00 H new ATOM 0 HA3 GLY C 27 1.125 -7.679 15.246 1.00 0.00 H new ATOM 2048 N GLN C 28 2.292 -7.504 13.024 1.00 0.00 N ATOM 2049 CA GLN C 28 2.973 -7.448 11.740 1.00 0.00 C ATOM 2050 C GLN C 28 1.954 -7.328 10.612 1.00 0.00 C ATOM 2051 O GLN C 28 2.334 -7.230 9.447 1.00 0.00 O ATOM 2052 CB GLN C 28 3.864 -8.677 11.579 1.00 0.00 C ATOM 2053 CG GLN C 28 5.272 -8.377 12.099 1.00 0.00 C ATOM 2054 CD GLN C 28 5.245 -7.669 13.452 1.00 0.00 C ATOM 2055 OE1 GLN C 28 5.034 -8.290 14.490 1.00 0.00 O ATOM 2056 NE2 GLN C 28 5.454 -6.354 13.439 1.00 0.00 N ATOM 0 H GLN C 28 1.902 -8.420 13.248 1.00 0.00 H new ATOM 0 HA GLN C 28 3.611 -6.565 11.697 1.00 0.00 H new ATOM 0 HB2 GLN C 28 3.438 -9.519 12.125 1.00 0.00 H new ATOM 0 HB3 GLN C 28 3.910 -8.968 10.530 1.00 0.00 H new ATOM 0 HG2 GLN C 28 5.831 -9.308 12.189 1.00 0.00 H new ATOM 0 HG3 GLN C 28 5.801 -7.756 11.376 1.00 0.00 H new ATOM 0 HE21 GLN C 28 5.626 -5.874 12.556 1.00 0.00 H new ATOM 0 HE22 GLN C 28 5.442 -5.827 14.312 1.00 0.00 H new ATOM 2065 N GLN C 29 0.663 -7.344 10.953 1.00 0.00 N ATOM 2066 CA GLN C 29 -0.389 -7.095 9.988 1.00 0.00 C ATOM 2067 C GLN C 29 -0.490 -5.600 9.731 1.00 0.00 C ATOM 2068 O GLN C 29 -0.122 -4.791 10.582 1.00 0.00 O ATOM 2069 CB GLN C 29 -1.725 -7.606 10.517 1.00 0.00 C ATOM 2070 CG GLN C 29 -1.744 -9.130 10.489 1.00 0.00 C ATOM 2071 CD GLN C 29 -2.918 -9.700 11.259 1.00 0.00 C ATOM 2072 OE1 GLN C 29 -4.012 -8.950 11.344 1.00 0.00 O flip ATOM 2073 NE2 GLN C 29 -2.829 -10.812 11.766 1.00 0.00 N flip ATOM 0 H GLN C 29 0.329 -7.529 11.899 1.00 0.00 H new ATOM 0 HA GLN C 29 -0.151 -7.618 9.062 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -1.883 -7.250 11.535 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -2.541 -7.212 9.911 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -1.789 -9.473 9.455 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -0.814 -9.511 10.911 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -1.966 -11.348 11.672 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -3.618 -11.202 12.282 1.00 0.00 H new ATOM 2082 N VAL C 30 -0.994 -5.234 8.554 1.00 0.00 N ATOM 2083 CA VAL C 30 -1.162 -3.848 8.171 1.00 0.00 C ATOM 2084 C VAL C 30 -2.457 -3.719 7.383 1.00 0.00 C ATOM 2085 O VAL C 30 -2.632 -4.397 6.369 1.00 0.00 O ATOM 2086 CB VAL C 30 0.026 -3.415 7.304 1.00 0.00 C ATOM 2087 CG1 VAL C 30 -0.085 -1.927 6.996 1.00 0.00 C ATOM 2088 CG2 VAL C 30 1.363 -3.656 8.008 1.00 0.00 C ATOM 0 H VAL C 30 -1.296 -5.899 7.842 1.00 0.00 H new ATOM 0 HA VAL C 30 -1.205 -3.211 9.055 1.00 0.00 H new ATOM 0 HB VAL C 30 -0.003 -4.010 6.391 1.00 0.00 H new ATOM 0 HG11 VAL C 30 0.760 -1.619 6.380 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -1.015 -1.735 6.460 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -0.080 -1.361 7.928 1.00 0.00 H new ATOM 0 HG21 VAL C 30 2.179 -3.336 7.360 1.00 0.00 H new ATOM 0 HG22 VAL C 30 1.393 -3.087 8.937 1.00 0.00 H new ATOM 0 HG23 VAL C 30 1.471 -4.718 8.230 1.00 0.00 H new ATOM 2098 N ARG C 31 -3.361 -2.850 7.847 1.00 0.00 N ATOM 2099 CA ARG C 31 -4.538 -2.492 7.077 1.00 0.00 C ATOM 2100 C ARG C 31 -4.135 -1.368 6.139 1.00 0.00 C ATOM 2101 O ARG C 31 -3.694 -0.309 6.590 1.00 0.00 O ATOM 2102 CB ARG C 31 -5.682 -1.992 7.959 1.00 0.00 C ATOM 2103 CG ARG C 31 -6.550 -3.119 8.513 1.00 0.00 C ATOM 2104 CD ARG C 31 -7.939 -2.567 8.842 1.00 0.00 C ATOM 2105 NE ARG C 31 -7.905 -1.505 9.854 1.00 0.00 N ATOM 2106 CZ ARG C 31 -8.977 -0.778 10.191 1.00 0.00 C ATOM 2107 NH1 ARG C 31 -10.154 -1.000 9.618 1.00 0.00 N ATOM 2108 NH2 ARG C 31 -8.870 0.180 11.109 1.00 0.00 N ATOM 0 H ARG C 31 -3.293 -2.386 8.753 1.00 0.00 H new ATOM 0 HA ARG C 31 -4.892 -3.377 6.549 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -5.269 -1.419 8.789 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -6.307 -1.311 7.381 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -6.629 -3.926 7.784 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -6.092 -3.541 9.407 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -8.396 -2.180 7.931 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -8.573 -3.380 9.196 1.00 0.00 H new ATOM 0 HE ARG C 31 -7.021 -1.311 10.324 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -10.248 -1.731 8.913 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -10.964 -0.440 9.883 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -7.971 0.360 11.556 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -9.687 0.734 11.366 1.00 0.00 H new ATOM 2122 N ILE C 32 -4.294 -1.614 4.844 1.00 0.00 N ATOM 2123 CA ILE C 32 -3.965 -0.653 3.810 1.00 0.00 C ATOM 2124 C ILE C 32 -5.227 -0.397 3.000 1.00 0.00 C ATOM 2125 O ILE C 32 -5.994 -1.319 2.731 1.00 0.00 O ATOM 2126 CB ILE C 32 -2.849 -1.213 2.915 1.00 0.00 C ATOM 2127 CG1 ILE C 32 -1.756 -1.879 3.765 1.00 0.00 C ATOM 2128 CG2 ILE C 32 -2.281 -0.077 2.058 1.00 0.00 C ATOM 2129 CD1 ILE C 32 -0.545 -2.289 2.930 1.00 0.00 C ATOM 0 H ILE C 32 -4.659 -2.496 4.484 1.00 0.00 H new ATOM 0 HA ILE C 32 -3.607 0.280 4.246 1.00 0.00 H new ATOM 0 HB ILE C 32 -3.255 -1.981 2.257 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -1.439 -1.191 4.549 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -2.168 -2.758 4.260 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -1.488 -0.465 1.419 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -3.074 0.343 1.438 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -1.877 0.701 2.706 1.00 0.00 H new ATOM 0 HD11 ILE C 32 0.200 -2.755 3.574 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -0.855 -2.998 2.163 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -0.114 -1.407 2.456 1.00 0.00 H new ATOM 2141 N GLY C 33 -5.441 0.856 2.612 1.00 0.00 N ATOM 2142 CA GLY C 33 -6.600 1.251 1.834 1.00 0.00 C ATOM 2143 C GLY C 33 -6.138 1.749 0.476 1.00 0.00 C ATOM 2144 O GLY C 33 -5.038 2.286 0.351 1.00 0.00 O ATOM 0 H GLY C 33 -4.810 1.626 2.832 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -7.279 0.406 1.714 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -7.153 2.033 2.354 1.00 0.00 H new ATOM 2148 N ILE C 34 -6.982 1.575 -0.544 1.00 0.00 N ATOM 2149 CA ILE C 34 -6.659 2.003 -1.891 1.00 0.00 C ATOM 2150 C ILE C 34 -7.895 2.672 -2.470 1.00 0.00 C ATOM 2151 O ILE C 34 -9.020 2.265 -2.182 1.00 0.00 O ATOM 2152 CB ILE C 34 -6.222 0.790 -2.728 1.00 0.00 C ATOM 2153 CG1 ILE C 34 -5.015 0.104 -2.072 1.00 0.00 C ATOM 2154 CG2 ILE C 34 -5.876 1.255 -4.145 1.00 0.00 C ATOM 2155 CD1 ILE C 34 -4.614 -1.180 -2.790 1.00 0.00 C ATOM 0 H ILE C 34 -7.898 1.137 -0.453 1.00 0.00 H new ATOM 0 HA ILE C 34 -5.831 2.712 -1.895 1.00 0.00 H new ATOM 0 HB ILE C 34 -7.036 0.067 -2.780 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -4.170 0.792 -2.065 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -5.251 -0.123 -1.032 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -5.565 0.399 -4.743 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -6.752 1.717 -4.600 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -5.064 1.981 -4.102 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -3.756 -1.626 -2.287 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -5.448 -1.881 -2.775 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -4.351 -0.952 -3.823 1.00 0.00 H new ATOM 2167 N ASN C 35 -7.687 3.699 -3.288 1.00 0.00 N ATOM 2168 CA ASN C 35 -8.779 4.440 -3.886 1.00 0.00 C ATOM 2169 C ASN C 35 -8.453 4.693 -5.347 1.00 0.00 C ATOM 2170 O ASN C 35 -7.621 5.536 -5.680 1.00 0.00 O ATOM 2171 CB ASN C 35 -8.989 5.738 -3.103 1.00 0.00 C ATOM 2172 CG ASN C 35 -10.263 6.460 -3.514 1.00 0.00 C ATOM 2173 OD1 ASN C 35 -10.993 6.015 -4.396 1.00 0.00 O ATOM 2174 ND2 ASN C 35 -10.545 7.589 -2.876 1.00 0.00 N ATOM 0 H ASN C 35 -6.760 4.035 -3.550 1.00 0.00 H new ATOM 0 HA ASN C 35 -9.711 3.876 -3.843 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -9.029 5.514 -2.037 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -8.134 6.396 -3.259 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -11.388 8.112 -3.114 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -9.919 7.933 -2.148 1.00 0.00 H new ATOM 2181 N ALA C 36 -9.132 3.940 -6.217 1.00 0.00 N ATOM 2182 CA ALA C 36 -8.948 4.010 -7.655 1.00 0.00 C ATOM 2183 C ALA C 36 -10.300 3.815 -8.336 1.00 0.00 C ATOM 2184 O ALA C 36 -11.194 3.205 -7.749 1.00 0.00 O ATOM 2185 CB ALA C 36 -7.968 2.903 -8.059 1.00 0.00 C ATOM 0 H ALA C 36 -9.833 3.257 -5.930 1.00 0.00 H new ATOM 0 HA ALA C 36 -8.546 4.977 -7.958 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -7.811 2.932 -9.137 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -7.017 3.055 -7.549 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -8.379 1.933 -7.778 1.00 0.00 H new ATOM 2191 N PRO C 37 -10.474 4.319 -9.563 1.00 0.00 N ATOM 2192 CA PRO C 37 -11.694 4.122 -10.321 1.00 0.00 C ATOM 2193 C PRO C 37 -11.820 2.659 -10.724 1.00 0.00 C ATOM 2194 O PRO C 37 -10.813 1.978 -10.916 1.00 0.00 O ATOM 2195 CB PRO C 37 -11.545 5.021 -11.552 1.00 0.00 C ATOM 2196 CG PRO C 37 -10.034 5.151 -11.737 1.00 0.00 C ATOM 2197 CD PRO C 37 -9.511 5.105 -10.305 1.00 0.00 C ATOM 0 HA PRO C 37 -12.589 4.371 -9.751 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -12.017 4.578 -12.429 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -12.013 5.993 -11.395 1.00 0.00 H new ATOM 0 HG2 PRO C 37 -9.630 4.339 -12.341 1.00 0.00 H new ATOM 0 HG3 PRO C 37 -9.767 6.083 -12.235 1.00 0.00 H new ATOM 0 HD2 PRO C 37 -8.521 4.652 -10.264 1.00 0.00 H new ATOM 0 HD3 PRO C 37 -9.420 6.108 -9.889 1.00 0.00 H new ATOM 2205 N LYS C 38 -13.055 2.165 -10.858 1.00 0.00 N ATOM 2206 CA LYS C 38 -13.294 0.802 -11.320 1.00 0.00 C ATOM 2207 C LYS C 38 -12.830 0.643 -12.773 1.00 0.00 C ATOM 2208 O LYS C 38 -12.914 -0.443 -13.342 1.00 0.00 O ATOM 2209 CB LYS C 38 -14.773 0.441 -11.130 1.00 0.00 C ATOM 2210 CG LYS C 38 -15.145 0.420 -9.641 1.00 0.00 C ATOM 2211 CD LYS C 38 -14.574 -0.808 -8.922 1.00 0.00 C ATOM 2212 CE LYS C 38 -15.526 -1.998 -9.044 1.00 0.00 C ATOM 2213 NZ LYS C 38 -14.923 -3.236 -8.524 1.00 0.00 N ATOM 0 H LYS C 38 -13.903 2.693 -10.652 1.00 0.00 H new ATOM 0 HA LYS C 38 -12.709 0.102 -10.724 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -15.398 1.163 -11.655 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -14.973 -0.535 -11.573 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -14.773 1.326 -9.162 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -16.230 0.428 -9.539 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -13.605 -1.067 -9.348 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -14.408 -0.575 -7.870 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -16.446 -1.785 -8.499 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -15.800 -2.139 -10.090 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -15.599 -4.020 -8.624 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -14.059 -3.453 -9.060 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -14.685 -3.111 -7.519 1.00 0.00 H new ATOM 2227 N ASP C 39 -12.341 1.737 -13.367 1.00 0.00 N ATOM 2228 CA ASP C 39 -11.719 1.744 -14.682 1.00 0.00 C ATOM 2229 C ASP C 39 -10.381 1.000 -14.659 1.00 0.00 C ATOM 2230 O ASP C 39 -9.818 0.707 -15.714 1.00 0.00 O ATOM 2231 CB ASP C 39 -11.501 3.201 -15.097 1.00 0.00 C ATOM 2232 CG ASP C 39 -11.127 3.313 -16.572 1.00 0.00 C ATOM 2233 OD1 ASP C 39 -11.942 2.869 -17.412 1.00 0.00 O ATOM 2234 OD2 ASP C 39 -10.024 3.839 -16.847 1.00 0.00 O ATOM 0 H ASP C 39 -12.371 2.659 -12.932 1.00 0.00 H new ATOM 0 HA ASP C 39 -12.368 1.236 -15.396 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -12.408 3.774 -14.906 1.00 0.00 H new ATOM 0 HB3 ASP C 39 -10.712 3.640 -14.486 1.00 0.00 H new ATOM 2239 N VAL C 40 -9.871 0.692 -13.461 1.00 0.00 N ATOM 2240 CA VAL C 40 -8.614 -0.024 -13.280 1.00 0.00 C ATOM 2241 C VAL C 40 -8.765 -1.068 -12.178 1.00 0.00 C ATOM 2242 O VAL C 40 -9.680 -0.985 -11.357 1.00 0.00 O ATOM 2243 CB VAL C 40 -7.465 0.940 -12.946 1.00 0.00 C ATOM 2244 CG1 VAL C 40 -7.331 2.021 -14.013 1.00 0.00 C ATOM 2245 CG2 VAL C 40 -7.652 1.617 -11.592 1.00 0.00 C ATOM 0 H VAL C 40 -10.329 0.938 -12.583 1.00 0.00 H new ATOM 0 HA VAL C 40 -8.369 -0.523 -14.218 1.00 0.00 H new ATOM 0 HB VAL C 40 -6.561 0.333 -12.912 1.00 0.00 H new ATOM 0 HG11 VAL C 40 -6.511 2.690 -13.752 1.00 0.00 H new ATOM 0 HG12 VAL C 40 -7.128 1.557 -14.978 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -8.259 2.590 -14.072 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -6.814 2.288 -11.402 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -8.581 2.188 -11.596 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -7.695 0.860 -10.809 1.00 0.00 H new ATOM 2255 N ALA C 41 -7.866 -2.055 -12.158 1.00 0.00 N ATOM 2256 CA ALA C 41 -7.956 -3.158 -11.221 1.00 0.00 C ATOM 2257 C ALA C 41 -7.034 -2.954 -10.022 1.00 0.00 C ATOM 2258 O ALA C 41 -6.053 -2.215 -10.095 1.00 0.00 O ATOM 2259 CB ALA C 41 -7.588 -4.447 -11.956 1.00 0.00 C ATOM 0 H ALA C 41 -7.065 -2.105 -12.788 1.00 0.00 H new ATOM 0 HA ALA C 41 -8.975 -3.215 -10.838 1.00 0.00 H new ATOM 0 HB1 ALA C 41 -7.650 -5.289 -11.267 1.00 0.00 H new ATOM 0 HB2 ALA C 41 -8.280 -4.604 -12.784 1.00 0.00 H new ATOM 0 HB3 ALA C 41 -6.572 -4.368 -12.342 1.00 0.00 H new ATOM 2265 N VAL C 42 -7.359 -3.616 -8.911 1.00 0.00 N ATOM 2266 CA VAL C 42 -6.523 -3.636 -7.717 1.00 0.00 C ATOM 2267 C VAL C 42 -6.803 -4.925 -6.944 1.00 0.00 C ATOM 2268 O VAL C 42 -7.957 -5.244 -6.676 1.00 0.00 O ATOM 2269 CB VAL C 42 -6.777 -2.379 -6.867 1.00 0.00 C ATOM 2270 CG1 VAL C 42 -8.261 -2.102 -6.647 1.00 0.00 C ATOM 2271 CG2 VAL C 42 -6.126 -2.483 -5.492 1.00 0.00 C ATOM 0 H VAL C 42 -8.218 -4.157 -8.817 1.00 0.00 H new ATOM 0 HA VAL C 42 -5.468 -3.622 -7.991 1.00 0.00 H new ATOM 0 HB VAL C 42 -6.336 -1.563 -7.439 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -8.377 -1.204 -6.041 1.00 0.00 H new ATOM 0 HG12 VAL C 42 -8.751 -1.956 -7.610 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -8.717 -2.948 -6.133 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -6.329 -1.575 -4.924 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -6.534 -3.343 -4.960 1.00 0.00 H new ATOM 0 HG23 VAL C 42 -5.049 -2.605 -5.608 1.00 0.00 H new ATOM 2281 N HIS C 43 -5.750 -5.664 -6.584 1.00 0.00 N ATOM 2282 CA HIS C 43 -5.882 -6.941 -5.893 1.00 0.00 C ATOM 2283 C HIS C 43 -4.603 -7.267 -5.135 1.00 0.00 C ATOM 2284 O HIS C 43 -3.557 -6.681 -5.403 1.00 0.00 O ATOM 2285 CB HIS C 43 -6.095 -8.071 -6.906 1.00 0.00 C ATOM 2286 CG HIS C 43 -7.208 -7.817 -7.881 1.00 0.00 C ATOM 2287 ND1 HIS C 43 -8.558 -8.102 -7.661 1.00 0.00 N ATOM 2288 CD2 HIS C 43 -7.047 -7.274 -9.122 1.00 0.00 C ATOM 2289 CE1 HIS C 43 -9.185 -7.718 -8.785 1.00 0.00 C ATOM 2290 NE2 HIS C 43 -8.307 -7.219 -9.677 1.00 0.00 N ATOM 0 H HIS C 43 -4.784 -5.390 -6.765 1.00 0.00 H new ATOM 0 HA HIS C 43 -6.729 -6.860 -5.212 1.00 0.00 H new ATOM 0 HB2 HIS C 43 -5.169 -8.227 -7.460 1.00 0.00 H new ATOM 0 HB3 HIS C 43 -6.303 -8.995 -6.366 1.00 0.00 H new ATOM 0 HD1 HIS C 43 -8.977 -8.513 -6.827 1.00 0.00 H new ATOM 0 HD2 HIS C 43 -6.121 -6.953 -9.576 1.00 0.00 H new ATOM 0 HE1 HIS C 43 -10.249 -7.798 -8.951 1.00 0.00 H new ATOM 2298 N ARG C 44 -4.670 -8.207 -4.186 1.00 0.00 N ATOM 2299 CA ARG C 44 -3.463 -8.696 -3.538 1.00 0.00 C ATOM 2300 C ARG C 44 -2.707 -9.592 -4.521 1.00 0.00 C ATOM 2301 O ARG C 44 -3.278 -10.042 -5.515 1.00 0.00 O ATOM 2302 CB ARG C 44 -3.820 -9.409 -2.229 1.00 0.00 C ATOM 2303 CG ARG C 44 -4.461 -10.768 -2.492 1.00 0.00 C ATOM 2304 CD ARG C 44 -5.009 -11.367 -1.200 1.00 0.00 C ATOM 2305 NE ARG C 44 -6.455 -11.151 -1.112 1.00 0.00 N ATOM 2306 CZ ARG C 44 -7.363 -12.127 -1.180 1.00 0.00 C ATOM 2307 NH1 ARG C 44 -7.017 -13.410 -1.201 1.00 0.00 N ATOM 2308 NH2 ARG C 44 -8.654 -11.830 -1.226 1.00 0.00 N ATOM 0 H ARG C 44 -5.536 -8.635 -3.858 1.00 0.00 H new ATOM 0 HA ARG C 44 -2.806 -7.870 -3.267 1.00 0.00 H new ATOM 0 HB2 ARG C 44 -2.921 -9.540 -1.627 1.00 0.00 H new ATOM 0 HB3 ARG C 44 -4.504 -8.789 -1.650 1.00 0.00 H new ATOM 0 HG2 ARG C 44 -5.266 -10.661 -3.219 1.00 0.00 H new ATOM 0 HG3 ARG C 44 -3.726 -11.444 -2.928 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -4.791 -12.434 -1.165 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -4.514 -10.913 -0.342 1.00 0.00 H new ATOM 0 HE ARG C 44 -6.789 -10.195 -0.991 1.00 0.00 H new ATOM 0 HH11 ARG C 44 -6.032 -13.673 -1.165 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -7.736 -14.131 -1.253 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -8.954 -10.855 -1.209 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -9.347 -12.576 -1.278 1.00 0.00 H new ATOM 2322 N GLU C 45 -1.429 -9.860 -4.262 1.00 0.00 N ATOM 2323 CA GLU C 45 -0.576 -10.564 -5.215 1.00 0.00 C ATOM 2324 C GLU C 45 -1.116 -11.953 -5.585 1.00 0.00 C ATOM 2325 O GLU C 45 -1.029 -12.356 -6.744 1.00 0.00 O ATOM 2326 CB GLU C 45 0.829 -10.642 -4.612 1.00 0.00 C ATOM 2327 CG GLU C 45 1.926 -10.802 -5.665 1.00 0.00 C ATOM 2328 CD GLU C 45 1.918 -12.165 -6.346 1.00 0.00 C ATOM 2329 OE1 GLU C 45 1.845 -13.184 -5.624 1.00 0.00 O ATOM 2330 OE2 GLU C 45 1.987 -12.159 -7.594 1.00 0.00 O ATOM 0 H GLU C 45 -0.960 -9.598 -3.395 1.00 0.00 H new ATOM 0 HA GLU C 45 -0.555 -10.012 -6.155 1.00 0.00 H new ATOM 0 HB2 GLU C 45 1.019 -9.739 -4.032 1.00 0.00 H new ATOM 0 HB3 GLU C 45 0.874 -11.482 -3.919 1.00 0.00 H new ATOM 0 HG2 GLU C 45 1.809 -10.026 -6.421 1.00 0.00 H new ATOM 0 HG3 GLU C 45 2.897 -10.645 -5.194 1.00 0.00 H new ATOM 2337 N GLU C 46 -1.674 -12.693 -4.618 1.00 0.00 N ATOM 2338 CA GLU C 46 -2.187 -14.040 -4.878 1.00 0.00 C ATOM 2339 C GLU C 46 -3.523 -14.044 -5.626 1.00 0.00 C ATOM 2340 O GLU C 46 -3.959 -15.097 -6.086 1.00 0.00 O ATOM 2341 CB GLU C 46 -2.311 -14.832 -3.571 1.00 0.00 C ATOM 2342 CG GLU C 46 -3.235 -14.144 -2.564 1.00 0.00 C ATOM 2343 CD GLU C 46 -3.494 -15.007 -1.333 1.00 0.00 C ATOM 2344 OE1 GLU C 46 -2.563 -15.736 -0.923 1.00 0.00 O ATOM 2345 OE2 GLU C 46 -4.630 -14.927 -0.809 1.00 0.00 O ATOM 0 H GLU C 46 -1.780 -12.381 -3.653 1.00 0.00 H new ATOM 0 HA GLU C 46 -1.460 -14.523 -5.531 1.00 0.00 H new ATOM 0 HB2 GLU C 46 -2.692 -15.830 -3.788 1.00 0.00 H new ATOM 0 HB3 GLU C 46 -1.323 -14.957 -3.129 1.00 0.00 H new ATOM 0 HG2 GLU C 46 -2.791 -13.198 -2.255 1.00 0.00 H new ATOM 0 HG3 GLU C 46 -4.184 -13.909 -3.046 1.00 0.00 H new ATOM 2352 N ILE C 47 -4.180 -12.888 -5.753 1.00 0.00 N ATOM 2353 CA ILE C 47 -5.441 -12.770 -6.482 1.00 0.00 C ATOM 2354 C ILE C 47 -5.185 -12.149 -7.850 1.00 0.00 C ATOM 2355 O ILE C 47 -5.874 -12.479 -8.809 1.00 0.00 O ATOM 2356 CB ILE C 47 -6.424 -11.933 -5.659 1.00 0.00 C ATOM 2357 CG1 ILE C 47 -6.836 -12.674 -4.382 1.00 0.00 C ATOM 2358 CG2 ILE C 47 -7.671 -11.592 -6.474 1.00 0.00 C ATOM 2359 CD1 ILE C 47 -7.437 -14.059 -4.635 1.00 0.00 C ATOM 0 H ILE C 47 -3.851 -12.009 -5.353 1.00 0.00 H new ATOM 0 HA ILE C 47 -5.880 -13.755 -6.639 1.00 0.00 H new ATOM 0 HB ILE C 47 -5.916 -11.008 -5.386 1.00 0.00 H new ATOM 0 HG12 ILE C 47 -5.963 -12.780 -3.737 1.00 0.00 H new ATOM 0 HG13 ILE C 47 -7.561 -12.068 -3.840 1.00 0.00 H new ATOM 0 HG21 ILE C 47 -8.352 -10.997 -5.865 1.00 0.00 H new ATOM 0 HG22 ILE C 47 -7.383 -11.023 -7.358 1.00 0.00 H new ATOM 0 HG23 ILE C 47 -8.168 -12.512 -6.781 1.00 0.00 H new ATOM 0 HD11 ILE C 47 -7.703 -14.519 -3.684 1.00 0.00 H new ATOM 0 HD12 ILE C 47 -8.330 -13.961 -5.253 1.00 0.00 H new ATOM 0 HD13 ILE C 47 -6.707 -14.684 -5.149 1.00 0.00 H new ATOM 2371 N TYR C 48 -4.202 -11.252 -7.955 1.00 0.00 N ATOM 2372 CA TYR C 48 -3.890 -10.600 -9.216 1.00 0.00 C ATOM 2373 C TYR C 48 -3.608 -11.627 -10.310 1.00 0.00 C ATOM 2374 O TYR C 48 -4.076 -11.470 -11.436 1.00 0.00 O ATOM 2375 CB TYR C 48 -2.675 -9.697 -9.022 1.00 0.00 C ATOM 2376 CG TYR C 48 -2.049 -9.250 -10.322 1.00 0.00 C ATOM 2377 CD1 TYR C 48 -2.848 -8.750 -11.365 1.00 0.00 C ATOM 2378 CD2 TYR C 48 -0.662 -9.349 -10.486 1.00 0.00 C ATOM 2379 CE1 TYR C 48 -2.263 -8.375 -12.583 1.00 0.00 C ATOM 2380 CE2 TYR C 48 -0.069 -8.960 -11.693 1.00 0.00 C ATOM 2381 CZ TYR C 48 -0.866 -8.473 -12.750 1.00 0.00 C ATOM 2382 OH TYR C 48 -0.285 -8.097 -13.922 1.00 0.00 O ATOM 0 H TYR C 48 -3.610 -10.964 -7.176 1.00 0.00 H new ATOM 0 HA TYR C 48 -4.749 -10.006 -9.528 1.00 0.00 H new ATOM 0 HB2 TYR C 48 -2.972 -8.819 -8.449 1.00 0.00 H new ATOM 0 HB3 TYR C 48 -1.928 -10.227 -8.430 1.00 0.00 H new ATOM 0 HD1 TYR C 48 -3.915 -8.654 -11.228 1.00 0.00 H new ATOM 0 HD2 TYR C 48 -0.049 -9.726 -9.681 1.00 0.00 H new ATOM 0 HE1 TYR C 48 -2.881 -8.012 -13.391 1.00 0.00 H new ATOM 0 HE2 TYR C 48 1.002 -9.033 -11.815 1.00 0.00 H new ATOM 0 HH TYR C 48 -0.955 -7.673 -14.498 1.00 0.00 H new ATOM 2392 N GLN C 49 -2.849 -12.680 -9.983 1.00 0.00 N ATOM 2393 CA GLN C 49 -2.500 -13.697 -10.962 1.00 0.00 C ATOM 2394 C GLN C 49 -3.742 -14.429 -11.458 1.00 0.00 C ATOM 2395 O GLN C 49 -3.714 -15.032 -12.530 1.00 0.00 O ATOM 2396 CB GLN C 49 -1.538 -14.711 -10.340 1.00 0.00 C ATOM 2397 CG GLN C 49 -0.219 -14.053 -9.929 1.00 0.00 C ATOM 2398 CD GLN C 49 0.743 -15.086 -9.352 1.00 0.00 C ATOM 2399 OE1 GLN C 49 0.747 -16.249 -9.754 1.00 0.00 O ATOM 2400 NE2 GLN C 49 1.570 -14.672 -8.400 1.00 0.00 N ATOM 0 H GLN C 49 -2.470 -12.843 -9.050 1.00 0.00 H new ATOM 0 HA GLN C 49 -2.023 -13.200 -11.807 1.00 0.00 H new ATOM 0 HB2 GLN C 49 -2.005 -15.169 -9.468 1.00 0.00 H new ATOM 0 HB3 GLN C 49 -1.340 -15.511 -11.053 1.00 0.00 H new ATOM 0 HG2 GLN C 49 0.236 -13.568 -10.793 1.00 0.00 H new ATOM 0 HG3 GLN C 49 -0.410 -13.274 -9.190 1.00 0.00 H new ATOM 0 HE21 GLN C 49 1.543 -13.701 -8.088 1.00 0.00 H new ATOM 0 HE22 GLN C 49 2.233 -15.324 -7.981 1.00 0.00 H new ATOM 2409 N ARG C 50 -4.836 -14.382 -10.688 1.00 0.00 N ATOM 2410 CA ARG C 50 -6.051 -15.095 -11.041 1.00 0.00 C ATOM 2411 C ARG C 50 -6.888 -14.294 -12.027 1.00 0.00 C ATOM 2412 O ARG C 50 -7.487 -14.882 -12.923 1.00 0.00 O ATOM 2413 CB ARG C 50 -6.833 -15.405 -9.763 1.00 0.00 C ATOM 2414 CG ARG C 50 -8.025 -16.298 -10.102 1.00 0.00 C ATOM 2415 CD ARG C 50 -8.715 -16.707 -8.807 1.00 0.00 C ATOM 2416 NE ARG C 50 -7.908 -17.675 -8.052 1.00 0.00 N ATOM 2417 CZ ARG C 50 -7.958 -17.835 -6.727 1.00 0.00 C ATOM 2418 NH1 ARG C 50 -8.782 -17.105 -5.977 1.00 0.00 N ATOM 2419 NH2 ARG C 50 -7.174 -18.733 -6.139 1.00 0.00 N ATOM 0 H ARG C 50 -4.896 -13.855 -9.817 1.00 0.00 H new ATOM 0 HA ARG C 50 -5.793 -16.031 -11.535 1.00 0.00 H new ATOM 0 HB2 ARG C 50 -6.187 -15.902 -9.039 1.00 0.00 H new ATOM 0 HB3 ARG C 50 -7.177 -14.480 -9.301 1.00 0.00 H new ATOM 0 HG2 ARG C 50 -8.722 -15.767 -10.750 1.00 0.00 H new ATOM 0 HG3 ARG C 50 -7.692 -17.181 -10.648 1.00 0.00 H new ATOM 0 HD2 ARG C 50 -8.894 -15.824 -8.194 1.00 0.00 H new ATOM 0 HD3 ARG C 50 -9.689 -17.141 -9.033 1.00 0.00 H new ATOM 0 HE ARG C 50 -7.264 -18.267 -8.577 1.00 0.00 H new ATOM 0 HH11 ARG C 50 -9.388 -16.410 -6.413 1.00 0.00 H new ATOM 0 HH12 ARG C 50 -8.807 -17.241 -4.966 1.00 0.00 H new ATOM 0 HH21 ARG C 50 -6.536 -19.298 -6.700 1.00 0.00 H new ATOM 0 HH22 ARG C 50 -7.210 -18.857 -5.127 1.00 0.00 H new ATOM 2433 N ILE C 51 -6.946 -12.964 -11.893 1.00 0.00 N ATOM 2434 CA ILE C 51 -7.669 -12.134 -12.854 1.00 0.00 C ATOM 2435 C ILE C 51 -7.035 -12.300 -14.240 1.00 0.00 C ATOM 2436 O ILE C 51 -7.652 -11.989 -15.258 1.00 0.00 O ATOM 2437 CB ILE C 51 -7.702 -10.664 -12.404 1.00 0.00 C ATOM 2438 CG1 ILE C 51 -8.657 -10.444 -11.222 1.00 0.00 C ATOM 2439 CG2 ILE C 51 -8.220 -9.748 -13.516 1.00 0.00 C ATOM 2440 CD1 ILE C 51 -8.122 -11.011 -9.912 1.00 0.00 C ATOM 0 H ILE C 51 -6.504 -12.446 -11.134 1.00 0.00 H new ATOM 0 HA ILE C 51 -8.707 -12.461 -12.908 1.00 0.00 H new ATOM 0 HB ILE C 51 -6.673 -10.429 -12.131 1.00 0.00 H new ATOM 0 HG12 ILE C 51 -8.838 -9.376 -11.102 1.00 0.00 H new ATOM 0 HG13 ILE C 51 -9.618 -10.907 -11.447 1.00 0.00 H new ATOM 0 HG21 ILE C 51 -8.230 -8.717 -13.163 1.00 0.00 H new ATOM 0 HG22 ILE C 51 -7.568 -9.827 -14.386 1.00 0.00 H new ATOM 0 HG23 ILE C 51 -9.231 -10.047 -13.792 1.00 0.00 H new ATOM 0 HD11 ILE C 51 -8.841 -10.825 -9.114 1.00 0.00 H new ATOM 0 HD12 ILE C 51 -7.967 -12.085 -10.017 1.00 0.00 H new ATOM 0 HD13 ILE C 51 -7.175 -10.530 -9.667 1.00 0.00 H new