USER MOD reduce.3.24.130724 H: found=0, std=0, add=1198, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1202 hydrogens (4 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 NoAdj-H: A 96 HIS HE2 : A 96 HIS NE2 : A 180 FE2FE :(H bumps) USER MOD NoAdj-H: A 98 HIS HE2 : A 98 HIS NE2 : A 180 FE2FE :(H bumps) USER MOD NoAdj-H: A 140 HIS HE2 : A 140 HIS NE2 : A 180 FE2FE :(H bumps) USER MOD Set 1.1: A 4 THR OG1 : rot 82:sc= 0.375 USER MOD Set 1.2: A 17 HIS : no HD1:sc= -1.17 K(o=-0.8,f=-4.3!) USER MOD Single : A 1 SER N :NH3+ 168:sc= -0.244 (180deg=-0.395) USER MOD Single : A 1 SER OG : rot -63:sc= 0.907 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 13 ASN : amide:sc= -0.0139 X(o=-0.014,f=-0.14) USER MOD Single : A 14 SER OG : rot 180:sc= 0.159 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 106:sc= 1.16 USER MOD Single : A 20 ASN : amide:sc= 0.0102 X(o=0.01,f=-0.028) USER MOD Single : A 25 GLN : amide:sc= 0.00645 X(o=0.0065,f=-0.037) USER MOD Single : A 26 GLN : amide:sc= -0.197 K(o=-0.2,f=-1.1) USER MOD Single : A 27 GLN : amide:sc= -0.177 K(o=-0.18,f=-0.99) USER MOD Single : A 29 ASN : amide:sc= -2.04! X(o=-2!,f=-1.7) USER MOD Single : A 31 LYS NZ :NH3+ -119:sc= -2.01! (180deg=-3.33!) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 170:sc= -0.757 USER MOD Single : A 57 TYR OH : rot 180:sc= -0.063 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.803 F(o=-5.1!,f=-0.8) USER MOD Single : A 59 HIS :FLIP no HD1:sc= -2.19 F(o=-4.9!,f=-2.2) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= -1.25 (180deg=-1.25) USER MOD Single : A 70 TYR OH : rot 35:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0.0178 USER MOD Single : A 82 ASN :FLIP amide:sc= -0.0692 F(o=-3.6!,f=-0.069) USER MOD Single : A 84 GLN :FLIP amide:sc= -0.374 F(o=-1.8!,f=-0.37) USER MOD Single : A 85 LYS NZ :NH3+ 158:sc= 0.122 (180deg=0.0255) USER MOD Single : A 91 LYS NZ :NH3+ 147:sc= -0.235 (180deg=-1.21!) USER MOD Single : A 94 ASN : amide:sc= -1.6! C(o=-1.6!,f=-5.3!) USER MOD Single : A 97 THR OG1 : rot 92:sc= -0.322 USER MOD Single : A 114 CYS SG : rot 88:sc= 1.22! USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=-0.0085) USER MOD Single : A 126 CYS SG : rot 96:sc= -2.62! USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 ASN : amide:sc= -0.456 X(o=-0.46,f=-0.13) USER MOD Single : A 133 SER OG : rot 18:sc= -4.42! USER MOD Single : A 137 HIS : no HD1:sc= -0.243 X(o=-0.24,f=-0.43) USER MOD Single : A 138 THR OG1 : rot 90:sc= 0.199 USER MOD Single : A 144 MET CE :methyl -172:sc= -0.123 (180deg=-0.128) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD Single : A 149 ASN :FLIP amide:sc= -2.23! C(o=-3.2!,f=-2.2!) USER MOD Single : A 151 THR OG1 : rot -160:sc= -0.0114 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 7.127 7.378 0.631 1.00 0.00 N ATOM 2 CA SER A 1 8.596 7.600 0.741 1.00 0.00 C ATOM 3 C SER A 1 8.923 8.204 2.110 1.00 0.00 C ATOM 4 O SER A 1 9.880 8.938 2.261 1.00 0.00 O ATOM 5 CB SER A 1 9.051 8.557 -0.362 1.00 0.00 C ATOM 6 OG SER A 1 10.318 9.102 -0.017 1.00 0.00 O ATOM 0 H1 SER A 1 6.881 7.163 -0.356 1.00 0.00 H new ATOM 0 H2 SER A 1 6.850 6.580 1.238 1.00 0.00 H new ATOM 0 H3 SER A 1 6.623 8.235 0.934 1.00 0.00 H new ATOM 0 HA SER A 1 9.115 6.648 0.633 1.00 0.00 H new ATOM 0 HB2 SER A 1 9.116 8.029 -1.313 1.00 0.00 H new ATOM 0 HB3 SER A 1 8.321 9.356 -0.490 1.00 0.00 H new ATOM 0 HG SER A 1 10.236 9.623 0.809 1.00 0.00 H new ATOM 14 N ALA A 2 8.135 7.906 3.108 1.00 0.00 N ATOM 15 CA ALA A 2 8.403 8.470 4.465 1.00 0.00 C ATOM 16 C ALA A 2 7.944 7.479 5.532 1.00 0.00 C ATOM 17 O ALA A 2 7.042 6.700 5.313 1.00 0.00 O ATOM 18 CB ALA A 2 7.628 9.777 4.625 1.00 0.00 C ATOM 0 H ALA A 2 7.319 7.298 3.044 1.00 0.00 H new ATOM 0 HA ALA A 2 9.471 8.655 4.578 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.819 10.195 5.614 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.950 10.487 3.863 1.00 0.00 H new ATOM 0 HB3 ALA A 2 6.561 9.584 4.513 1.00 0.00 H new ATOM 24 N LEU A 3 8.555 7.496 6.686 1.00 0.00 N ATOM 25 CA LEU A 3 8.137 6.542 7.749 1.00 0.00 C ATOM 26 C LEU A 3 8.074 7.298 9.067 1.00 0.00 C ATOM 27 O LEU A 3 9.014 7.957 9.459 1.00 0.00 O ATOM 28 CB LEU A 3 9.164 5.412 7.846 1.00 0.00 C ATOM 29 CG LEU A 3 8.484 4.100 8.258 1.00 0.00 C ATOM 30 CD1 LEU A 3 7.599 4.317 9.489 1.00 0.00 C ATOM 31 CD2 LEU A 3 7.629 3.590 7.097 1.00 0.00 C ATOM 0 H LEU A 3 9.319 8.124 6.936 1.00 0.00 H new ATOM 0 HA LEU A 3 7.162 6.114 7.518 1.00 0.00 H new ATOM 0 HB2 LEU A 3 9.663 5.283 6.886 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.933 5.673 8.573 1.00 0.00 H new ATOM 0 HG LEU A 3 9.251 3.366 8.506 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.125 3.376 9.767 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.210 4.674 10.318 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.831 5.056 9.260 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.144 2.658 7.385 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.871 4.333 6.850 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.263 3.416 6.228 1.00 0.00 H new ATOM 43 N THR A 4 6.968 7.223 9.747 1.00 0.00 N ATOM 44 CA THR A 4 6.842 7.946 11.036 1.00 0.00 C ATOM 45 C THR A 4 6.254 6.998 12.078 1.00 0.00 C ATOM 46 O THR A 4 5.320 6.284 11.800 1.00 0.00 O ATOM 47 CB THR A 4 5.912 9.135 10.845 1.00 0.00 C ATOM 48 OG1 THR A 4 6.052 9.645 9.527 1.00 0.00 O ATOM 49 CG2 THR A 4 6.268 10.224 11.847 1.00 0.00 C ATOM 0 H THR A 4 6.145 6.691 9.464 1.00 0.00 H new ATOM 0 HA THR A 4 7.819 8.296 11.370 1.00 0.00 H new ATOM 0 HB THR A 4 4.882 8.815 11.002 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.512 9.109 8.910 1.00 0.00 H new ATOM 0 HG21 THR A 4 5.602 11.076 11.710 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.158 9.836 12.860 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.299 10.541 11.689 1.00 0.00 H new ATOM 57 N ILE A 5 6.767 6.985 13.273 1.00 0.00 N ATOM 58 CA ILE A 5 6.181 6.072 14.288 1.00 0.00 C ATOM 59 C ILE A 5 6.174 6.768 15.643 1.00 0.00 C ATOM 60 O ILE A 5 7.216 7.033 16.209 1.00 0.00 O ATOM 61 CB ILE A 5 7.063 4.822 14.383 1.00 0.00 C ATOM 62 CG1 ILE A 5 7.473 4.348 12.978 1.00 0.00 C ATOM 63 CG2 ILE A 5 6.297 3.703 15.095 1.00 0.00 C ATOM 64 CD1 ILE A 5 8.558 3.279 13.102 1.00 0.00 C ATOM 0 H ILE A 5 7.552 7.555 13.588 1.00 0.00 H new ATOM 0 HA ILE A 5 5.163 5.802 14.005 1.00 0.00 H new ATOM 0 HB ILE A 5 7.961 5.070 14.949 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.608 3.945 12.451 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.841 5.189 12.391 1.00 0.00 H new ATOM 0 HG21 ILE A 5 6.927 2.816 15.161 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.025 4.030 16.098 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.394 3.466 14.533 1.00 0.00 H new ATOM 0 HD11 ILE A 5 8.851 2.941 12.108 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.425 3.698 13.613 1.00 0.00 H new ATOM 0 HD13 ILE A 5 8.173 2.435 13.674 1.00 0.00 H new ATOM 76 N PHE A 6 5.026 7.079 16.183 1.00 0.00 N ATOM 77 CA PHE A 6 4.963 7.768 17.505 1.00 0.00 C ATOM 78 C PHE A 6 4.189 6.879 18.475 1.00 0.00 C ATOM 79 O PHE A 6 3.620 5.879 18.092 1.00 0.00 O ATOM 80 CB PHE A 6 4.227 9.096 17.391 1.00 0.00 C ATOM 81 CG PHE A 6 3.409 9.142 16.138 1.00 0.00 C ATOM 82 CD1 PHE A 6 4.014 9.313 14.888 1.00 0.00 C ATOM 83 CD2 PHE A 6 2.025 9.038 16.242 1.00 0.00 C ATOM 84 CE1 PHE A 6 3.218 9.378 13.738 1.00 0.00 C ATOM 85 CE2 PHE A 6 1.234 9.100 15.103 1.00 0.00 C ATOM 86 CZ PHE A 6 1.826 9.272 13.847 1.00 0.00 C ATOM 0 H PHE A 6 4.119 6.883 15.760 1.00 0.00 H new ATOM 0 HA PHE A 6 5.979 7.952 17.854 1.00 0.00 H new ATOM 0 HB2 PHE A 6 3.581 9.235 18.258 1.00 0.00 H new ATOM 0 HB3 PHE A 6 4.945 9.916 17.393 1.00 0.00 H new ATOM 0 HD1 PHE A 6 5.088 9.394 14.811 1.00 0.00 H new ATOM 0 HD2 PHE A 6 1.566 8.909 17.211 1.00 0.00 H new ATOM 0 HE1 PHE A 6 3.677 9.510 12.769 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.161 9.015 15.186 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.209 9.323 12.962 1.00 0.00 H new ATOM 96 N SER A 7 4.133 7.245 19.723 1.00 0.00 N ATOM 97 CA SER A 7 3.363 6.421 20.690 1.00 0.00 C ATOM 98 C SER A 7 1.859 6.708 20.538 1.00 0.00 C ATOM 99 O SER A 7 1.456 7.758 20.072 1.00 0.00 O ATOM 100 CB SER A 7 3.800 6.769 22.108 1.00 0.00 C ATOM 101 OG SER A 7 5.191 6.509 22.246 1.00 0.00 O ATOM 0 H SER A 7 4.584 8.073 20.113 1.00 0.00 H new ATOM 0 HA SER A 7 3.551 5.365 20.493 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.591 7.818 22.318 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.234 6.180 22.830 1.00 0.00 H new ATOM 0 HG SER A 7 5.477 6.733 23.156 1.00 0.00 H new ATOM 107 N VAL A 8 1.030 5.775 20.934 1.00 0.00 N ATOM 108 CA VAL A 8 -0.449 5.973 20.824 1.00 0.00 C ATOM 109 C VAL A 8 -0.858 7.223 21.608 1.00 0.00 C ATOM 110 O VAL A 8 -1.928 7.764 21.413 1.00 0.00 O ATOM 111 CB VAL A 8 -1.184 4.761 21.414 1.00 0.00 C ATOM 112 CG1 VAL A 8 -0.998 4.741 22.932 1.00 0.00 C ATOM 113 CG2 VAL A 8 -2.677 4.858 21.096 1.00 0.00 C ATOM 0 H VAL A 8 1.315 4.880 21.331 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.712 6.087 19.772 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.776 3.849 20.979 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.520 3.881 23.351 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.064 4.672 23.168 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.406 5.657 23.361 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.195 3.996 21.516 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.083 5.772 21.529 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.818 4.875 20.015 1.00 0.00 H new ATOM 123 N LYS A 9 -0.016 7.691 22.492 1.00 0.00 N ATOM 124 CA LYS A 9 -0.362 8.905 23.284 1.00 0.00 C ATOM 125 C LYS A 9 0.029 10.168 22.513 1.00 0.00 C ATOM 126 O LYS A 9 -0.513 11.233 22.740 1.00 0.00 O ATOM 127 CB LYS A 9 0.394 8.871 24.612 1.00 0.00 C ATOM 128 CG LYS A 9 -0.176 9.934 25.551 1.00 0.00 C ATOM 129 CD LYS A 9 0.645 9.969 26.840 1.00 0.00 C ATOM 130 CE LYS A 9 0.109 8.919 27.815 1.00 0.00 C ATOM 131 NZ LYS A 9 -1.021 9.498 28.595 1.00 0.00 N ATOM 0 H LYS A 9 0.896 7.284 22.699 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.437 8.918 23.466 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.307 7.884 25.067 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.456 9.051 24.443 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.155 10.911 25.067 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.219 9.713 25.778 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.695 9.775 26.620 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.592 10.960 27.291 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.226 8.037 27.269 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.902 8.594 28.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.386 8.785 29.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.687 10.327 29.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.780 9.787 27.945 1.00 0.00 H new ATOM 145 N ASP A 10 0.965 10.062 21.605 1.00 0.00 N ATOM 146 CA ASP A 10 1.394 11.260 20.819 1.00 0.00 C ATOM 147 C ASP A 10 1.046 11.071 19.336 1.00 0.00 C ATOM 148 O ASP A 10 1.899 10.743 18.535 1.00 0.00 O ATOM 149 CB ASP A 10 2.903 11.445 20.970 1.00 0.00 C ATOM 150 CG ASP A 10 3.201 12.050 22.341 1.00 0.00 C ATOM 151 OD1 ASP A 10 2.955 11.379 23.329 1.00 0.00 O ATOM 152 OD2 ASP A 10 3.665 13.178 22.382 1.00 0.00 O ATOM 0 H ASP A 10 1.452 9.196 21.373 1.00 0.00 H new ATOM 0 HA ASP A 10 0.874 12.141 21.194 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.411 10.487 20.864 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.282 12.096 20.182 1.00 0.00 H new ATOM 157 N PRO A 11 -0.194 11.272 18.968 1.00 0.00 N ATOM 158 CA PRO A 11 -0.654 11.111 17.556 1.00 0.00 C ATOM 159 C PRO A 11 -0.313 12.321 16.679 1.00 0.00 C ATOM 160 O PRO A 11 -0.004 12.190 15.511 1.00 0.00 O ATOM 161 CB PRO A 11 -2.168 10.971 17.691 1.00 0.00 C ATOM 162 CG PRO A 11 -2.523 11.726 18.930 1.00 0.00 C ATOM 163 CD PRO A 11 -1.299 11.679 19.851 1.00 0.00 C ATOM 0 HA PRO A 11 -0.169 10.264 17.071 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.680 11.380 16.820 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.461 9.924 17.770 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.786 12.756 18.691 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.390 11.280 19.418 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.107 12.650 20.307 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.441 10.968 20.665 1.00 0.00 H new ATOM 171 N GLN A 12 -0.368 13.496 17.240 1.00 0.00 N ATOM 172 CA GLN A 12 -0.053 14.716 16.446 1.00 0.00 C ATOM 173 C GLN A 12 1.418 15.078 16.630 1.00 0.00 C ATOM 174 O GLN A 12 1.998 15.789 15.833 1.00 0.00 O ATOM 175 CB GLN A 12 -0.925 15.877 16.926 1.00 0.00 C ATOM 176 CG GLN A 12 -0.690 16.102 18.421 1.00 0.00 C ATOM 177 CD GLN A 12 -1.502 17.310 18.890 1.00 0.00 C ATOM 178 OE1 GLN A 12 -2.115 17.991 18.093 1.00 0.00 O ATOM 179 NE2 GLN A 12 -1.530 17.607 20.160 1.00 0.00 N ATOM 0 H GLN A 12 -0.618 13.665 18.215 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.252 14.523 15.392 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.685 16.782 16.368 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.977 15.658 16.740 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.981 15.215 18.983 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.370 16.267 18.612 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.015 17.035 20.829 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.067 18.411 20.484 1.00 0.00 H new ATOM 188 N ASN A 13 2.026 14.606 17.681 1.00 0.00 N ATOM 189 CA ASN A 13 3.457 14.937 17.913 1.00 0.00 C ATOM 190 C ASN A 13 4.334 13.790 17.421 1.00 0.00 C ATOM 191 O ASN A 13 4.897 13.045 18.199 1.00 0.00 O ATOM 192 CB ASN A 13 3.699 15.166 19.408 1.00 0.00 C ATOM 193 CG ASN A 13 3.771 16.668 19.687 1.00 0.00 C ATOM 194 OD1 ASN A 13 4.600 17.362 19.132 1.00 0.00 O ATOM 195 ND2 ASN A 13 2.931 17.204 20.530 1.00 0.00 N ATOM 0 H ASN A 13 1.596 14.008 18.386 1.00 0.00 H new ATOM 0 HA ASN A 13 3.709 15.845 17.365 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.896 14.715 19.991 1.00 0.00 H new ATOM 0 HB3 ASN A 13 4.626 14.683 19.716 1.00 0.00 H new ATOM 0 HD21 ASN A 13 2.971 18.205 20.723 1.00 0.00 H new ATOM 0 HD22 ASN A 13 2.235 16.622 20.996 1.00 0.00 H new ATOM 202 N SER A 14 4.449 13.619 16.135 1.00 0.00 N ATOM 203 CA SER A 14 5.277 12.502 15.623 1.00 0.00 C ATOM 204 C SER A 14 6.670 12.582 16.241 1.00 0.00 C ATOM 205 O SER A 14 7.452 13.458 15.931 1.00 0.00 O ATOM 206 CB SER A 14 5.393 12.616 14.105 1.00 0.00 C ATOM 207 OG SER A 14 4.711 13.784 13.669 1.00 0.00 O ATOM 0 H SER A 14 4.008 14.201 15.423 1.00 0.00 H new ATOM 0 HA SER A 14 4.813 11.551 15.886 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.442 12.662 13.811 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.967 11.733 13.629 1.00 0.00 H new ATOM 0 HG SER A 14 4.785 13.861 12.695 1.00 0.00 H new ATOM 213 N LEU A 15 6.968 11.689 17.140 1.00 0.00 N ATOM 214 CA LEU A 15 8.293 11.724 17.812 1.00 0.00 C ATOM 215 C LEU A 15 9.367 11.201 16.863 1.00 0.00 C ATOM 216 O LEU A 15 10.255 11.928 16.463 1.00 0.00 O ATOM 217 CB LEU A 15 8.261 10.826 19.054 1.00 0.00 C ATOM 218 CG LEU A 15 7.554 11.544 20.205 1.00 0.00 C ATOM 219 CD1 LEU A 15 7.068 10.510 21.224 1.00 0.00 C ATOM 220 CD2 LEU A 15 8.538 12.498 20.887 1.00 0.00 C ATOM 0 H LEU A 15 6.349 10.935 17.439 1.00 0.00 H new ATOM 0 HA LEU A 15 8.518 12.752 18.097 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.745 9.894 18.825 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.277 10.563 19.349 1.00 0.00 H new ATOM 0 HG LEU A 15 6.704 12.107 19.818 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.564 11.018 22.046 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.373 9.822 20.742 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.921 9.952 21.611 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.037 13.011 21.708 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.384 11.931 21.276 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.894 13.232 20.164 1.00 0.00 H new ATOM 232 N TRP A 16 9.312 9.950 16.500 1.00 0.00 N ATOM 233 CA TRP A 16 10.352 9.402 15.588 1.00 0.00 C ATOM 234 C TRP A 16 9.939 9.598 14.127 1.00 0.00 C ATOM 235 O TRP A 16 8.908 9.127 13.701 1.00 0.00 O ATOM 236 CB TRP A 16 10.514 7.897 15.853 1.00 0.00 C ATOM 237 CG TRP A 16 11.586 7.341 14.965 1.00 0.00 C ATOM 238 CD1 TRP A 16 12.880 7.179 15.311 1.00 0.00 C ATOM 239 CD2 TRP A 16 11.472 6.873 13.594 1.00 0.00 C ATOM 240 NE1 TRP A 16 13.575 6.653 14.232 1.00 0.00 N ATOM 241 CE2 TRP A 16 12.746 6.445 13.146 1.00 0.00 C ATOM 242 CE3 TRP A 16 10.397 6.784 12.704 1.00 0.00 C ATOM 243 CZ2 TRP A 16 12.937 5.944 11.851 1.00 0.00 C ATOM 244 CZ3 TRP A 16 10.583 6.285 11.412 1.00 0.00 C ATOM 245 CH2 TRP A 16 11.845 5.867 10.980 1.00 0.00 C ATOM 0 H TRP A 16 8.595 9.287 16.794 1.00 0.00 H new ATOM 0 HA TRP A 16 11.290 9.927 15.771 1.00 0.00 H new ATOM 0 HB2 TRP A 16 10.770 7.727 16.899 1.00 0.00 H new ATOM 0 HB3 TRP A 16 9.571 7.382 15.668 1.00 0.00 H new ATOM 0 HD1 TRP A 16 13.306 7.420 16.274 1.00 0.00 H new ATOM 0 HE1 TRP A 16 14.574 6.446 14.239 1.00 0.00 H new ATOM 0 HE3 TRP A 16 9.414 7.104 13.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 13.916 5.621 11.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 9.741 6.221 10.739 1.00 0.00 H new ATOM 0 HH2 TRP A 16 11.976 5.486 9.978 1.00 0.00 H new ATOM 256 N HIS A 17 10.735 10.290 13.360 1.00 0.00 N ATOM 257 CA HIS A 17 10.391 10.499 11.923 1.00 0.00 C ATOM 258 C HIS A 17 11.668 10.443 11.105 1.00 0.00 C ATOM 259 O HIS A 17 12.642 11.108 11.398 1.00 0.00 O ATOM 260 CB HIS A 17 9.751 11.855 11.716 1.00 0.00 C ATOM 261 CG HIS A 17 9.345 12.007 10.273 1.00 0.00 C ATOM 262 ND1 HIS A 17 9.261 10.926 9.405 1.00 0.00 N ATOM 263 CD2 HIS A 17 9.013 13.112 9.527 1.00 0.00 C ATOM 264 CE1 HIS A 17 8.893 11.399 8.198 1.00 0.00 C ATOM 265 NE2 HIS A 17 8.727 12.724 8.224 1.00 0.00 N ATOM 0 H HIS A 17 11.608 10.720 13.664 1.00 0.00 H new ATOM 0 HA HIS A 17 9.691 9.723 11.613 1.00 0.00 H new ATOM 0 HB2 HIS A 17 8.880 11.960 12.362 1.00 0.00 H new ATOM 0 HB3 HIS A 17 10.450 12.644 11.993 1.00 0.00 H new ATOM 0 HD2 HIS A 17 8.980 14.126 9.897 1.00 0.00 H new ATOM 0 HE1 HIS A 17 8.750 10.785 7.321 1.00 0.00 H new ATOM 0 HE2 HIS A 17 8.448 13.326 7.449 1.00 0.00 H new ATOM 274 N SER A 18 11.667 9.649 10.084 1.00 0.00 N ATOM 275 CA SER A 18 12.882 9.534 9.227 1.00 0.00 C ATOM 276 C SER A 18 12.501 9.011 7.842 1.00 0.00 C ATOM 277 O SER A 18 11.642 8.158 7.716 1.00 0.00 O ATOM 278 CB SER A 18 13.864 8.552 9.865 1.00 0.00 C ATOM 279 OG SER A 18 15.192 8.956 9.567 1.00 0.00 O ATOM 0 H SER A 18 10.878 9.069 9.798 1.00 0.00 H new ATOM 0 HA SER A 18 13.339 10.519 9.134 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.715 8.520 10.944 1.00 0.00 H new ATOM 0 HB3 SER A 18 13.685 7.545 9.489 1.00 0.00 H new ATOM 0 HG SER A 18 15.824 8.329 9.976 1.00 0.00 H new ATOM 285 N THR A 19 13.155 9.470 6.803 1.00 0.00 N ATOM 286 CA THR A 19 12.837 8.925 5.452 1.00 0.00 C ATOM 287 C THR A 19 14.142 8.525 4.742 1.00 0.00 C ATOM 288 O THR A 19 14.766 9.329 4.077 1.00 0.00 O ATOM 289 CB THR A 19 12.159 10.043 4.651 1.00 0.00 C ATOM 290 OG1 THR A 19 12.289 9.786 3.259 1.00 0.00 O ATOM 291 CG2 THR A 19 12.824 11.380 4.993 1.00 0.00 C ATOM 0 H THR A 19 13.882 10.185 6.832 1.00 0.00 H new ATOM 0 HA THR A 19 12.189 8.052 5.533 1.00 0.00 H new ATOM 0 HB THR A 19 11.100 10.084 4.907 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.429 9.482 2.901 1.00 0.00 H new ATOM 0 HG21 THR A 19 12.346 12.179 4.426 1.00 0.00 H new ATOM 0 HG22 THR A 19 12.717 11.577 6.060 1.00 0.00 H new ATOM 0 HG23 THR A 19 13.882 11.336 4.736 1.00 0.00 H new ATOM 299 N ASN A 20 14.529 7.270 4.828 1.00 0.00 N ATOM 300 CA ASN A 20 15.752 6.790 4.115 1.00 0.00 C ATOM 301 C ASN A 20 15.490 5.390 3.528 1.00 0.00 C ATOM 302 O ASN A 20 14.643 4.669 4.022 1.00 0.00 O ATOM 303 CB ASN A 20 16.943 6.781 5.052 1.00 0.00 C ATOM 304 CG ASN A 20 18.053 7.623 4.426 1.00 0.00 C ATOM 305 OD1 ASN A 20 19.138 7.138 4.175 1.00 0.00 O ATOM 306 ND2 ASN A 20 17.817 8.880 4.159 1.00 0.00 N ATOM 0 H ASN A 20 14.042 6.555 5.368 1.00 0.00 H new ATOM 0 HA ASN A 20 15.984 7.471 3.296 1.00 0.00 H new ATOM 0 HB2 ASN A 20 16.663 7.185 6.025 1.00 0.00 H new ATOM 0 HB3 ASN A 20 17.288 5.760 5.217 1.00 0.00 H new ATOM 0 HD21 ASN A 20 18.545 9.457 3.738 1.00 0.00 H new ATOM 0 HD22 ASN A 20 16.905 9.284 4.371 1.00 0.00 H new ATOM 313 N ALA A 21 16.180 4.971 2.494 1.00 0.00 N ATOM 314 CA ALA A 21 15.892 3.600 1.967 1.00 0.00 C ATOM 315 C ALA A 21 16.166 2.556 3.062 1.00 0.00 C ATOM 316 O ALA A 21 15.303 1.779 3.404 1.00 0.00 O ATOM 317 CB ALA A 21 16.832 3.325 0.804 1.00 0.00 C ATOM 0 H ALA A 21 16.905 5.497 2.007 1.00 0.00 H new ATOM 0 HA ALA A 21 14.850 3.541 1.652 1.00 0.00 H new ATOM 0 HB1 ALA A 21 16.637 2.329 0.406 1.00 0.00 H new ATOM 0 HB2 ALA A 21 16.670 4.066 0.022 1.00 0.00 H new ATOM 0 HB3 ALA A 21 17.864 3.382 1.149 1.00 0.00 H new ATOM 323 N GLU A 22 17.366 2.490 3.590 1.00 0.00 N ATOM 324 CA GLU A 22 17.665 1.466 4.634 1.00 0.00 C ATOM 325 C GLU A 22 16.849 1.775 5.883 1.00 0.00 C ATOM 326 O GLU A 22 16.543 0.905 6.663 1.00 0.00 O ATOM 327 CB GLU A 22 19.157 1.490 4.976 1.00 0.00 C ATOM 328 CG GLU A 22 19.484 2.807 5.673 1.00 0.00 C ATOM 329 CD GLU A 22 20.995 2.942 5.841 1.00 0.00 C ATOM 330 OE1 GLU A 22 21.695 1.996 5.523 1.00 0.00 O ATOM 331 OE2 GLU A 22 21.427 3.992 6.288 1.00 0.00 O ATOM 0 H GLU A 22 18.146 3.099 3.343 1.00 0.00 H new ATOM 0 HA GLU A 22 17.404 0.477 4.258 1.00 0.00 H new ATOM 0 HB2 GLU A 22 19.409 0.649 5.622 1.00 0.00 H new ATOM 0 HB3 GLU A 22 19.753 1.385 4.069 1.00 0.00 H new ATOM 0 HG2 GLU A 22 19.098 3.643 5.090 1.00 0.00 H new ATOM 0 HG3 GLU A 22 18.996 2.845 6.647 1.00 0.00 H new ATOM 338 N GLU A 23 16.525 3.016 6.097 1.00 0.00 N ATOM 339 CA GLU A 23 15.740 3.373 7.309 1.00 0.00 C ATOM 340 C GLU A 23 14.289 2.904 7.149 1.00 0.00 C ATOM 341 O GLU A 23 13.741 2.274 8.025 1.00 0.00 O ATOM 342 CB GLU A 23 15.763 4.883 7.507 1.00 0.00 C ATOM 343 CG GLU A 23 17.170 5.325 7.917 1.00 0.00 C ATOM 344 CD GLU A 23 17.513 4.727 9.278 1.00 0.00 C ATOM 345 OE1 GLU A 23 16.597 4.302 9.962 1.00 0.00 O ATOM 346 OE2 GLU A 23 18.685 4.702 9.610 1.00 0.00 O ATOM 0 H GLU A 23 16.768 3.797 5.488 1.00 0.00 H new ATOM 0 HA GLU A 23 16.183 2.883 8.176 1.00 0.00 H new ATOM 0 HB2 GLU A 23 15.467 5.385 6.586 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.043 5.171 8.273 1.00 0.00 H new ATOM 0 HG2 GLU A 23 17.896 5.001 7.172 1.00 0.00 H new ATOM 0 HG3 GLU A 23 17.223 6.413 7.962 1.00 0.00 H new ATOM 353 N ILE A 24 13.655 3.211 6.049 1.00 0.00 N ATOM 354 CA ILE A 24 12.240 2.779 5.850 1.00 0.00 C ATOM 355 C ILE A 24 12.175 1.247 5.771 1.00 0.00 C ATOM 356 O ILE A 24 11.275 0.628 6.301 1.00 0.00 O ATOM 357 CB ILE A 24 11.730 3.379 4.535 1.00 0.00 C ATOM 358 CG1 ILE A 24 11.819 4.909 4.587 1.00 0.00 C ATOM 359 CG2 ILE A 24 10.274 2.975 4.334 1.00 0.00 C ATOM 360 CD1 ILE A 24 11.881 5.475 3.166 1.00 0.00 C ATOM 0 H ILE A 24 14.057 3.744 5.277 1.00 0.00 H new ATOM 0 HA ILE A 24 11.625 3.119 6.683 1.00 0.00 H new ATOM 0 HB ILE A 24 12.341 3.009 3.712 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.954 5.315 5.112 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.703 5.212 5.148 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.904 3.399 3.400 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.200 1.888 4.294 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.675 3.349 5.164 1.00 0.00 H new ATOM 0 HD11 ILE A 24 11.944 6.562 3.210 1.00 0.00 H new ATOM 0 HD12 ILE A 24 12.760 5.081 2.655 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.983 5.185 2.620 1.00 0.00 H new ATOM 372 N GLN A 25 13.115 0.636 5.107 1.00 0.00 N ATOM 373 CA GLN A 25 13.109 -0.851 4.986 1.00 0.00 C ATOM 374 C GLN A 25 13.456 -1.510 6.328 1.00 0.00 C ATOM 375 O GLN A 25 12.837 -2.463 6.729 1.00 0.00 O ATOM 376 CB GLN A 25 14.134 -1.282 3.945 1.00 0.00 C ATOM 377 CG GLN A 25 13.990 -2.784 3.697 1.00 0.00 C ATOM 378 CD GLN A 25 15.151 -3.271 2.836 1.00 0.00 C ATOM 379 OE1 GLN A 25 16.297 -3.142 3.216 1.00 0.00 O ATOM 380 NE2 GLN A 25 14.902 -3.827 1.685 1.00 0.00 N ATOM 0 H GLN A 25 13.892 1.104 4.640 1.00 0.00 H new ATOM 0 HA GLN A 25 12.110 -1.166 4.685 1.00 0.00 H new ATOM 0 HB2 GLN A 25 13.983 -0.731 3.017 1.00 0.00 H new ATOM 0 HB3 GLN A 25 15.142 -1.052 4.291 1.00 0.00 H new ATOM 0 HG2 GLN A 25 13.977 -3.320 4.646 1.00 0.00 H new ATOM 0 HG3 GLN A 25 13.042 -2.992 3.200 1.00 0.00 H new ATOM 0 HE21 GLN A 25 13.938 -3.934 1.368 1.00 0.00 H new ATOM 0 HE22 GLN A 25 15.671 -4.155 1.100 1.00 0.00 H new ATOM 389 N GLN A 26 14.464 -1.031 7.001 1.00 0.00 N ATOM 390 CA GLN A 26 14.868 -1.643 8.303 1.00 0.00 C ATOM 391 C GLN A 26 13.748 -1.483 9.336 1.00 0.00 C ATOM 392 O GLN A 26 13.443 -2.396 10.074 1.00 0.00 O ATOM 393 CB GLN A 26 16.132 -0.951 8.821 1.00 0.00 C ATOM 394 CG GLN A 26 17.336 -1.368 7.972 1.00 0.00 C ATOM 395 CD GLN A 26 17.733 -2.803 8.321 1.00 0.00 C ATOM 396 OE1 GLN A 26 17.735 -3.181 9.475 1.00 0.00 O ATOM 397 NE2 GLN A 26 18.077 -3.623 7.366 1.00 0.00 N ATOM 0 H GLN A 26 15.031 -0.236 6.705 1.00 0.00 H new ATOM 0 HA GLN A 26 15.061 -2.704 8.148 1.00 0.00 H new ATOM 0 HB2 GLN A 26 16.006 0.131 8.784 1.00 0.00 H new ATOM 0 HB3 GLN A 26 16.302 -1.217 9.864 1.00 0.00 H new ATOM 0 HG2 GLN A 26 17.090 -1.295 6.913 1.00 0.00 H new ATOM 0 HG3 GLN A 26 18.173 -0.694 8.153 1.00 0.00 H new ATOM 0 HE21 GLN A 26 18.075 -3.306 6.396 1.00 0.00 H new ATOM 0 HE22 GLN A 26 18.347 -4.581 7.589 1.00 0.00 H new ATOM 406 N GLN A 27 13.145 -0.329 9.401 1.00 0.00 N ATOM 407 CA GLN A 27 12.053 -0.106 10.390 1.00 0.00 C ATOM 408 C GLN A 27 10.834 -0.954 10.014 1.00 0.00 C ATOM 409 O GLN A 27 10.181 -1.537 10.858 1.00 0.00 O ATOM 410 CB GLN A 27 11.667 1.375 10.386 1.00 0.00 C ATOM 411 CG GLN A 27 12.830 2.212 10.926 1.00 0.00 C ATOM 412 CD GLN A 27 13.054 1.877 12.401 1.00 0.00 C ATOM 413 OE1 GLN A 27 12.111 1.684 13.142 1.00 0.00 O ATOM 414 NE2 GLN A 27 14.272 1.802 12.866 1.00 0.00 N ATOM 0 H GLN A 27 13.362 0.473 8.809 1.00 0.00 H new ATOM 0 HA GLN A 27 12.396 -0.394 11.384 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.417 1.693 9.374 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.779 1.531 10.998 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.735 2.009 10.354 1.00 0.00 H new ATOM 0 HG3 GLN A 27 12.612 3.274 10.812 1.00 0.00 H new ATOM 0 HE21 GLN A 27 15.066 1.964 12.246 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.430 1.582 13.849 1.00 0.00 H new ATOM 423 N LEU A 28 10.518 -1.008 8.752 1.00 0.00 N ATOM 424 CA LEU A 28 9.334 -1.802 8.314 1.00 0.00 C ATOM 425 C LEU A 28 9.596 -3.294 8.563 1.00 0.00 C ATOM 426 O LEU A 28 8.730 -4.025 8.996 1.00 0.00 O ATOM 427 CB LEU A 28 9.089 -1.551 6.821 1.00 0.00 C ATOM 428 CG LEU A 28 8.548 -0.132 6.621 1.00 0.00 C ATOM 429 CD1 LEU A 28 8.575 0.213 5.134 1.00 0.00 C ATOM 430 CD2 LEU A 28 7.104 -0.041 7.132 1.00 0.00 C ATOM 0 H LEU A 28 11.027 -0.538 8.004 1.00 0.00 H new ATOM 0 HA LEU A 28 8.453 -1.500 8.881 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.017 -1.679 6.263 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.379 -2.280 6.431 1.00 0.00 H new ATOM 0 HG LEU A 28 9.171 0.568 7.178 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.191 1.222 4.988 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.600 0.158 4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.954 -0.495 4.585 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.729 0.972 6.985 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.478 -0.743 6.581 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.077 -0.287 8.194 1.00 0.00 H new ATOM 442 N ASN A 29 10.790 -3.740 8.312 1.00 0.00 N ATOM 443 CA ASN A 29 11.128 -5.172 8.541 1.00 0.00 C ATOM 444 C ASN A 29 11.118 -5.477 10.043 1.00 0.00 C ATOM 445 O ASN A 29 10.768 -6.561 10.465 1.00 0.00 O ATOM 446 CB ASN A 29 12.516 -5.462 7.970 1.00 0.00 C ATOM 447 CG ASN A 29 12.487 -5.287 6.450 1.00 0.00 C ATOM 448 OD1 ASN A 29 13.489 -5.465 5.789 1.00 0.00 O ATOM 449 ND2 ASN A 29 11.371 -4.943 5.865 1.00 0.00 N ATOM 0 H ASN A 29 11.556 -3.170 7.954 1.00 0.00 H new ATOM 0 HA ASN A 29 10.388 -5.800 8.045 1.00 0.00 H new ATOM 0 HB2 ASN A 29 13.251 -4.788 8.411 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.821 -6.477 8.225 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.342 -4.824 4.852 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.529 -4.793 6.421 1.00 0.00 H new ATOM 456 N ALA A 30 11.512 -4.531 10.849 1.00 0.00 N ATOM 457 CA ALA A 30 11.539 -4.765 12.319 1.00 0.00 C ATOM 458 C ALA A 30 10.131 -5.093 12.807 1.00 0.00 C ATOM 459 O ALA A 30 9.952 -5.696 13.848 1.00 0.00 O ATOM 460 CB ALA A 30 12.046 -3.508 13.030 1.00 0.00 C ATOM 0 H ALA A 30 11.817 -3.604 10.552 1.00 0.00 H new ATOM 0 HA ALA A 30 12.205 -5.599 12.541 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.065 -3.681 14.106 1.00 0.00 H new ATOM 0 HB2 ALA A 30 13.052 -3.274 12.682 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.382 -2.672 12.809 1.00 0.00 H new ATOM 466 N LYS A 31 9.130 -4.707 12.066 1.00 0.00 N ATOM 467 CA LYS A 31 7.737 -5.005 12.492 1.00 0.00 C ATOM 468 C LYS A 31 7.193 -6.168 11.657 1.00 0.00 C ATOM 469 O LYS A 31 6.045 -6.542 11.773 1.00 0.00 O ATOM 470 CB LYS A 31 6.866 -3.764 12.279 1.00 0.00 C ATOM 471 CG LYS A 31 5.579 -3.884 13.102 1.00 0.00 C ATOM 472 CD LYS A 31 5.822 -3.348 14.516 1.00 0.00 C ATOM 473 CE LYS A 31 6.058 -1.837 14.469 1.00 0.00 C ATOM 474 NZ LYS A 31 5.362 -1.198 15.618 1.00 0.00 N ATOM 0 H LYS A 31 9.217 -4.199 11.186 1.00 0.00 H new ATOM 0 HA LYS A 31 7.723 -5.278 13.547 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.414 -2.869 12.573 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.623 -3.656 11.222 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.776 -3.324 12.623 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.260 -4.925 13.147 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.964 -3.571 15.151 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.685 -3.846 14.959 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.126 -1.622 14.510 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.686 -1.428 13.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.650 -0.528 15.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.894 -1.929 16.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.054 -0.689 16.204 1.00 0.00 H new ATOM 488 N GLY A 32 8.007 -6.753 10.818 1.00 0.00 N ATOM 489 CA GLY A 32 7.506 -7.890 9.995 1.00 0.00 C ATOM 490 C GLY A 32 6.856 -7.353 8.717 1.00 0.00 C ATOM 491 O GLY A 32 6.044 -8.013 8.100 1.00 0.00 O ATOM 0 H GLY A 32 8.983 -6.497 10.669 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.328 -8.559 9.743 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.783 -8.474 10.565 1.00 0.00 H new ATOM 495 N VAL A 33 7.213 -6.164 8.315 1.00 0.00 N ATOM 496 CA VAL A 33 6.623 -5.584 7.072 1.00 0.00 C ATOM 497 C VAL A 33 7.674 -5.588 5.960 1.00 0.00 C ATOM 498 O VAL A 33 8.794 -5.151 6.146 1.00 0.00 O ATOM 499 CB VAL A 33 6.157 -4.147 7.350 1.00 0.00 C ATOM 500 CG1 VAL A 33 5.495 -3.541 6.104 1.00 0.00 C ATOM 501 CG2 VAL A 33 5.154 -4.155 8.502 1.00 0.00 C ATOM 0 H VAL A 33 7.888 -5.567 8.793 1.00 0.00 H new ATOM 0 HA VAL A 33 5.768 -6.182 6.757 1.00 0.00 H new ATOM 0 HB VAL A 33 7.025 -3.543 7.614 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.172 -2.523 6.322 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.211 -3.526 5.282 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.631 -4.143 5.822 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.821 -3.136 8.702 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.296 -4.771 8.233 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.628 -4.563 9.394 1.00 0.00 H new ATOM 511 N ARG A 34 7.318 -6.084 4.805 1.00 0.00 N ATOM 512 CA ARG A 34 8.287 -6.123 3.673 1.00 0.00 C ATOM 513 C ARG A 34 8.258 -4.788 2.930 1.00 0.00 C ATOM 514 O ARG A 34 7.228 -4.156 2.803 1.00 0.00 O ATOM 515 CB ARG A 34 7.904 -7.244 2.705 1.00 0.00 C ATOM 516 CG ARG A 34 8.040 -8.596 3.403 1.00 0.00 C ATOM 517 CD ARG A 34 7.750 -9.717 2.404 1.00 0.00 C ATOM 518 NE ARG A 34 7.724 -11.024 3.119 1.00 0.00 N ATOM 519 CZ ARG A 34 6.751 -11.296 3.946 1.00 0.00 C ATOM 520 NH1 ARG A 34 5.795 -10.427 4.139 1.00 0.00 N ATOM 521 NH2 ARG A 34 6.732 -12.438 4.576 1.00 0.00 N ATOM 0 H ARG A 34 6.395 -6.465 4.597 1.00 0.00 H new ATOM 0 HA ARG A 34 9.288 -6.305 4.064 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.880 -7.104 2.358 1.00 0.00 H new ATOM 0 HB3 ARG A 34 8.546 -7.212 1.824 1.00 0.00 H new ATOM 0 HG2 ARG A 34 9.045 -8.708 3.810 1.00 0.00 H new ATOM 0 HG3 ARG A 34 7.348 -8.655 4.243 1.00 0.00 H new ATOM 0 HD2 ARG A 34 6.794 -9.541 1.911 1.00 0.00 H new ATOM 0 HD3 ARG A 34 8.513 -9.731 1.625 1.00 0.00 H new ATOM 0 HE ARG A 34 8.466 -11.706 2.962 1.00 0.00 H new ATOM 0 HH11 ARG A 34 5.808 -9.536 3.644 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.035 -10.640 4.785 1.00 0.00 H new ATOM 0 HH21 ARG A 34 7.477 -13.118 4.422 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.972 -12.651 5.222 1.00 0.00 H new ATOM 535 N PHE A 35 9.383 -4.360 2.428 1.00 0.00 N ATOM 536 CA PHE A 35 9.423 -3.071 1.683 1.00 0.00 C ATOM 537 C PHE A 35 10.591 -3.098 0.690 1.00 0.00 C ATOM 538 O PHE A 35 11.735 -3.224 1.075 1.00 0.00 O ATOM 539 CB PHE A 35 9.611 -1.923 2.677 1.00 0.00 C ATOM 540 CG PHE A 35 9.415 -0.597 1.975 1.00 0.00 C ATOM 541 CD1 PHE A 35 8.121 -0.081 1.791 1.00 0.00 C ATOM 542 CD2 PHE A 35 10.526 0.118 1.509 1.00 0.00 C ATOM 543 CE1 PHE A 35 7.946 1.145 1.140 1.00 0.00 C ATOM 544 CE2 PHE A 35 10.345 1.345 0.858 1.00 0.00 C ATOM 545 CZ PHE A 35 9.057 1.858 0.674 1.00 0.00 C ATOM 0 H PHE A 35 10.276 -4.847 2.502 1.00 0.00 H new ATOM 0 HA PHE A 35 8.491 -2.927 1.137 1.00 0.00 H new ATOM 0 HB2 PHE A 35 8.899 -2.019 3.496 1.00 0.00 H new ATOM 0 HB3 PHE A 35 10.608 -1.969 3.115 1.00 0.00 H new ATOM 0 HD1 PHE A 35 7.263 -0.630 2.151 1.00 0.00 H new ATOM 0 HD2 PHE A 35 11.521 -0.277 1.652 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.952 1.542 0.997 1.00 0.00 H new ATOM 0 HE2 PHE A 35 11.201 1.896 0.498 1.00 0.00 H new ATOM 0 HZ PHE A 35 8.919 2.804 0.172 1.00 0.00 H new ATOM 555 N GLU A 36 10.316 -2.980 -0.581 1.00 0.00 N ATOM 556 CA GLU A 36 11.417 -2.999 -1.590 1.00 0.00 C ATOM 557 C GLU A 36 11.191 -1.872 -2.594 1.00 0.00 C ATOM 558 O GLU A 36 10.123 -1.303 -2.662 1.00 0.00 O ATOM 559 CB GLU A 36 11.415 -4.340 -2.330 1.00 0.00 C ATOM 560 CG GLU A 36 11.654 -5.477 -1.335 1.00 0.00 C ATOM 561 CD GLU A 36 13.046 -5.334 -0.719 1.00 0.00 C ATOM 562 OE1 GLU A 36 13.847 -4.600 -1.275 1.00 0.00 O ATOM 563 OE2 GLU A 36 13.290 -5.963 0.297 1.00 0.00 O ATOM 0 H GLU A 36 9.377 -2.871 -0.965 1.00 0.00 H new ATOM 0 HA GLU A 36 12.375 -2.865 -1.087 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.462 -4.484 -2.840 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.190 -4.345 -3.096 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.895 -5.455 -0.553 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.565 -6.440 -1.839 1.00 0.00 H new ATOM 570 N ARG A 37 12.183 -1.536 -3.370 1.00 0.00 N ATOM 571 CA ARG A 37 12.003 -0.436 -4.356 1.00 0.00 C ATOM 572 C ARG A 37 11.771 -1.032 -5.744 1.00 0.00 C ATOM 573 O ARG A 37 12.627 -1.702 -6.289 1.00 0.00 O ATOM 574 CB ARG A 37 13.267 0.427 -4.375 1.00 0.00 C ATOM 575 CG ARG A 37 12.980 1.741 -5.103 1.00 0.00 C ATOM 576 CD ARG A 37 14.220 2.636 -5.050 1.00 0.00 C ATOM 577 NE ARG A 37 15.223 2.158 -6.042 1.00 0.00 N ATOM 578 CZ ARG A 37 16.363 2.783 -6.171 1.00 0.00 C ATOM 579 NH1 ARG A 37 16.629 3.815 -5.420 1.00 0.00 N ATOM 580 NH2 ARG A 37 17.236 2.373 -7.050 1.00 0.00 N ATOM 0 H ARG A 37 13.105 -1.973 -3.364 1.00 0.00 H new ATOM 0 HA ARG A 37 11.144 0.175 -4.077 1.00 0.00 H new ATOM 0 HB2 ARG A 37 13.597 0.629 -3.356 1.00 0.00 H new ATOM 0 HB3 ARG A 37 14.077 -0.107 -4.873 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.706 1.543 -6.139 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.133 2.248 -4.641 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.945 3.669 -5.264 1.00 0.00 H new ATOM 0 HD3 ARG A 37 14.649 2.622 -4.048 1.00 0.00 H new ATOM 0 HE ARG A 37 15.020 1.343 -6.621 1.00 0.00 H new ATOM 0 HH11 ARG A 37 15.947 4.134 -4.732 1.00 0.00 H new ATOM 0 HH12 ARG A 37 17.519 4.303 -5.521 1.00 0.00 H new ATOM 0 HH21 ARG A 37 17.028 1.565 -7.636 1.00 0.00 H new ATOM 0 HH22 ARG A 37 18.126 2.861 -7.151 1.00 0.00 H new ATOM 594 N TRP A 38 10.617 -0.813 -6.320 1.00 0.00 N ATOM 595 CA TRP A 38 10.346 -1.390 -7.668 1.00 0.00 C ATOM 596 C TRP A 38 10.487 -0.290 -8.717 1.00 0.00 C ATOM 597 O TRP A 38 10.237 0.870 -8.456 1.00 0.00 O ATOM 598 CB TRP A 38 8.923 -1.949 -7.719 1.00 0.00 C ATOM 599 CG TRP A 38 8.792 -3.109 -6.788 1.00 0.00 C ATOM 600 CD1 TRP A 38 8.772 -3.030 -5.439 1.00 0.00 C ATOM 601 CD2 TRP A 38 8.645 -4.514 -7.117 1.00 0.00 C ATOM 602 NE1 TRP A 38 8.611 -4.302 -4.919 1.00 0.00 N ATOM 603 CE2 TRP A 38 8.531 -5.252 -5.914 1.00 0.00 C ATOM 604 CE3 TRP A 38 8.599 -5.211 -8.333 1.00 0.00 C ATOM 605 CZ2 TRP A 38 8.372 -6.637 -5.920 1.00 0.00 C ATOM 606 CZ3 TRP A 38 8.442 -6.603 -8.346 1.00 0.00 C ATOM 607 CH2 TRP A 38 8.328 -7.315 -7.148 1.00 0.00 C ATOM 0 H TRP A 38 9.857 -0.264 -5.918 1.00 0.00 H new ATOM 0 HA TRP A 38 11.056 -2.193 -7.867 1.00 0.00 H new ATOM 0 HB2 TRP A 38 8.209 -1.172 -7.446 1.00 0.00 H new ATOM 0 HB3 TRP A 38 8.683 -2.260 -8.736 1.00 0.00 H new ATOM 0 HD1 TRP A 38 8.866 -2.122 -4.861 1.00 0.00 H new ATOM 0 HE1 TRP A 38 8.558 -4.511 -3.922 1.00 0.00 H new ATOM 0 HE3 TRP A 38 8.685 -4.672 -9.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 8.284 -7.181 -4.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 8.409 -7.130 -9.288 1.00 0.00 H new ATOM 0 HH2 TRP A 38 8.206 -8.388 -7.168 1.00 0.00 H new ATOM 618 N GLN A 39 10.897 -0.645 -9.900 1.00 0.00 N ATOM 619 CA GLN A 39 11.065 0.381 -10.963 1.00 0.00 C ATOM 620 C GLN A 39 9.812 0.422 -11.844 1.00 0.00 C ATOM 621 O GLN A 39 9.513 -0.516 -12.556 1.00 0.00 O ATOM 622 CB GLN A 39 12.289 0.027 -11.813 1.00 0.00 C ATOM 623 CG GLN A 39 13.546 0.055 -10.937 1.00 0.00 C ATOM 624 CD GLN A 39 14.759 -0.374 -11.766 1.00 0.00 C ATOM 625 OE1 GLN A 39 14.612 -0.879 -12.862 1.00 0.00 O ATOM 626 NE2 GLN A 39 15.960 -0.197 -11.285 1.00 0.00 N ATOM 0 H GLN A 39 11.123 -1.600 -10.177 1.00 0.00 H new ATOM 0 HA GLN A 39 11.209 1.361 -10.508 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.164 -0.961 -12.256 1.00 0.00 H new ATOM 0 HB3 GLN A 39 12.391 0.735 -12.636 1.00 0.00 H new ATOM 0 HG2 GLN A 39 13.701 1.057 -10.538 1.00 0.00 H new ATOM 0 HG3 GLN A 39 13.422 -0.612 -10.084 1.00 0.00 H new ATOM 0 HE21 GLN A 39 16.084 0.227 -10.365 1.00 0.00 H new ATOM 0 HE22 GLN A 39 16.774 -0.482 -11.829 1.00 0.00 H new ATOM 635 N ALA A 40 9.082 1.502 -11.803 1.00 0.00 N ATOM 636 CA ALA A 40 7.854 1.601 -12.641 1.00 0.00 C ATOM 637 C ALA A 40 8.225 2.182 -14.009 1.00 0.00 C ATOM 638 O ALA A 40 7.767 3.238 -14.399 1.00 0.00 O ATOM 639 CB ALA A 40 6.826 2.501 -11.943 1.00 0.00 C ATOM 0 H ALA A 40 9.282 2.319 -11.226 1.00 0.00 H new ATOM 0 HA ALA A 40 7.418 0.611 -12.778 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.928 2.572 -12.557 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.569 2.075 -10.973 1.00 0.00 H new ATOM 0 HB3 ALA A 40 7.249 3.496 -11.802 1.00 0.00 H new ATOM 645 N ASP A 41 9.059 1.492 -14.740 1.00 0.00 N ATOM 646 CA ASP A 41 9.473 1.987 -16.083 1.00 0.00 C ATOM 647 C ASP A 41 8.620 1.322 -17.164 1.00 0.00 C ATOM 648 O ASP A 41 8.795 1.569 -18.340 1.00 0.00 O ATOM 649 CB ASP A 41 10.951 1.666 -16.325 1.00 0.00 C ATOM 650 CG ASP A 41 11.809 2.473 -15.350 1.00 0.00 C ATOM 651 OD1 ASP A 41 11.257 3.324 -14.673 1.00 0.00 O ATOM 652 OD2 ASP A 41 13.002 2.226 -15.296 1.00 0.00 O ATOM 0 H ASP A 41 9.473 0.602 -14.462 1.00 0.00 H new ATOM 0 HA ASP A 41 9.330 3.067 -16.123 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.131 0.600 -16.189 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.224 1.906 -17.353 1.00 0.00 H new ATOM 657 N ARG A 42 7.712 0.467 -16.781 1.00 0.00 N ATOM 658 CA ARG A 42 6.872 -0.219 -17.803 1.00 0.00 C ATOM 659 C ARG A 42 5.694 0.680 -18.190 1.00 0.00 C ATOM 660 O ARG A 42 4.926 1.111 -17.352 1.00 0.00 O ATOM 661 CB ARG A 42 6.335 -1.523 -17.208 1.00 0.00 C ATOM 662 CG ARG A 42 5.618 -2.341 -18.287 1.00 0.00 C ATOM 663 CD ARG A 42 6.640 -2.906 -19.280 1.00 0.00 C ATOM 664 NE ARG A 42 6.061 -4.098 -19.961 1.00 0.00 N ATOM 665 CZ ARG A 42 5.074 -3.957 -20.800 1.00 0.00 C ATOM 666 NH1 ARG A 42 4.584 -2.771 -21.041 1.00 0.00 N ATOM 667 NH2 ARG A 42 4.576 -5.004 -21.399 1.00 0.00 N ATOM 0 H ARG A 42 7.516 0.215 -15.812 1.00 0.00 H new ATOM 0 HA ARG A 42 7.471 -0.430 -18.689 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.155 -2.104 -16.786 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.647 -1.303 -16.391 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.058 -3.155 -17.826 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.897 -1.714 -18.811 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.907 -2.147 -20.015 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.557 -3.181 -18.758 1.00 0.00 H new ATOM 0 HE ARG A 42 6.438 -5.026 -19.770 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.974 -1.953 -20.572 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.811 -2.662 -21.698 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.959 -5.930 -21.210 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.803 -4.896 -22.056 1.00 0.00 H new ATOM 681 N ASP A 43 5.558 0.971 -19.459 1.00 0.00 N ATOM 682 CA ASP A 43 4.440 1.845 -19.924 1.00 0.00 C ATOM 683 C ASP A 43 3.246 0.984 -20.349 1.00 0.00 C ATOM 684 O ASP A 43 3.326 0.205 -21.277 1.00 0.00 O ATOM 685 CB ASP A 43 4.907 2.692 -21.106 1.00 0.00 C ATOM 686 CG ASP A 43 3.819 3.706 -21.454 1.00 0.00 C ATOM 687 OD1 ASP A 43 2.886 3.829 -20.678 1.00 0.00 O ATOM 688 OD2 ASP A 43 3.936 4.342 -22.488 1.00 0.00 O ATOM 0 H ASP A 43 6.178 0.638 -20.197 1.00 0.00 H new ATOM 0 HA ASP A 43 4.136 2.499 -19.107 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.835 3.207 -20.857 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.117 2.055 -21.966 1.00 0.00 H new ATOM 693 N LEU A 44 2.138 1.126 -19.674 1.00 0.00 N ATOM 694 CA LEU A 44 0.935 0.326 -20.031 1.00 0.00 C ATOM 695 C LEU A 44 -0.009 1.177 -20.871 1.00 0.00 C ATOM 696 O LEU A 44 -1.115 0.777 -21.178 1.00 0.00 O ATOM 697 CB LEU A 44 0.213 -0.126 -18.761 1.00 0.00 C ATOM 698 CG LEU A 44 1.192 -0.196 -17.577 1.00 0.00 C ATOM 699 CD1 LEU A 44 2.472 -0.921 -17.989 1.00 0.00 C ATOM 700 CD2 LEU A 44 1.545 1.213 -17.084 1.00 0.00 C ATOM 0 H LEU A 44 2.015 1.764 -18.888 1.00 0.00 H new ATOM 0 HA LEU A 44 1.245 -0.551 -20.599 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.596 0.567 -18.530 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.241 -1.104 -18.923 1.00 0.00 H new ATOM 0 HG LEU A 44 0.707 -0.746 -16.770 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.155 -0.963 -17.141 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.229 -1.934 -18.310 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.946 -0.384 -18.811 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.239 1.142 -16.246 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.010 1.776 -17.893 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.638 1.724 -16.762 1.00 0.00 H new ATOM 712 N GLY A 45 0.420 2.346 -21.240 1.00 0.00 N ATOM 713 CA GLY A 45 -0.448 3.226 -22.058 1.00 0.00 C ATOM 714 C GLY A 45 -0.531 4.601 -21.404 1.00 0.00 C ATOM 715 O GLY A 45 0.390 5.031 -20.739 1.00 0.00 O ATOM 0 H GLY A 45 1.336 2.730 -21.010 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.047 3.315 -23.068 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.444 2.792 -22.147 1.00 0.00 H new ATOM 719 N ALA A 46 -1.624 5.299 -21.572 1.00 0.00 N ATOM 720 CA ALA A 46 -1.736 6.639 -20.933 1.00 0.00 C ATOM 721 C ALA A 46 -2.473 6.494 -19.602 1.00 0.00 C ATOM 722 O ALA A 46 -1.954 6.822 -18.556 1.00 0.00 O ATOM 723 CB ALA A 46 -2.522 7.574 -21.854 1.00 0.00 C ATOM 0 H ALA A 46 -2.433 5.002 -22.117 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.743 7.053 -20.760 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.606 8.556 -21.389 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.002 7.667 -22.808 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.519 7.166 -22.022 1.00 0.00 H new ATOM 729 N ALA A 47 -3.673 5.978 -19.630 1.00 0.00 N ATOM 730 CA ALA A 47 -4.427 5.789 -18.362 1.00 0.00 C ATOM 731 C ALA A 47 -4.249 4.333 -17.886 1.00 0.00 C ATOM 732 O ALA A 47 -4.513 3.408 -18.628 1.00 0.00 O ATOM 733 CB ALA A 47 -5.912 6.071 -18.595 1.00 0.00 C ATOM 0 H ALA A 47 -4.161 5.681 -20.475 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.048 6.476 -17.606 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.460 5.931 -17.663 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.038 7.098 -18.939 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.299 5.386 -19.349 1.00 0.00 H new ATOM 739 N PRO A 48 -3.814 4.115 -16.666 1.00 0.00 N ATOM 740 CA PRO A 48 -3.624 2.745 -16.122 1.00 0.00 C ATOM 741 C PRO A 48 -4.947 2.109 -15.702 1.00 0.00 C ATOM 742 O PRO A 48 -5.748 2.712 -15.016 1.00 0.00 O ATOM 743 CB PRO A 48 -2.733 2.957 -14.902 1.00 0.00 C ATOM 744 CG PRO A 48 -3.050 4.337 -14.433 1.00 0.00 C ATOM 745 CD PRO A 48 -3.452 5.135 -15.675 1.00 0.00 C ATOM 0 HA PRO A 48 -3.195 2.071 -16.863 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.941 2.219 -14.128 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -1.679 2.860 -15.161 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.859 4.322 -13.702 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -2.187 4.789 -13.944 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -4.290 5.800 -15.466 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -2.631 5.759 -16.029 1.00 0.00 H new ATOM 753 N THR A 49 -5.166 0.892 -16.091 1.00 0.00 N ATOM 754 CA THR A 49 -6.426 0.179 -15.711 1.00 0.00 C ATOM 755 C THR A 49 -6.082 -0.999 -14.791 1.00 0.00 C ATOM 756 O THR A 49 -4.933 -1.222 -14.458 1.00 0.00 O ATOM 757 CB THR A 49 -7.125 -0.353 -16.967 1.00 0.00 C ATOM 758 OG1 THR A 49 -6.750 0.430 -18.092 1.00 0.00 O ATOM 759 CG2 THR A 49 -8.641 -0.283 -16.776 1.00 0.00 C ATOM 0 H THR A 49 -4.522 0.346 -16.664 1.00 0.00 H new ATOM 0 HA THR A 49 -7.089 0.874 -15.196 1.00 0.00 H new ATOM 0 HB THR A 49 -6.828 -1.388 -17.134 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.197 0.086 -18.893 1.00 0.00 H new ATOM 0 HG21 THR A 49 -9.138 -0.661 -17.669 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.928 -0.889 -15.917 1.00 0.00 H new ATOM 0 HG23 THR A 49 -8.939 0.752 -16.606 1.00 0.00 H new ATOM 767 N ALA A 50 -7.063 -1.755 -14.376 1.00 0.00 N ATOM 768 CA ALA A 50 -6.777 -2.912 -13.479 1.00 0.00 C ATOM 769 C ALA A 50 -6.249 -4.095 -14.295 1.00 0.00 C ATOM 770 O ALA A 50 -5.253 -4.697 -13.950 1.00 0.00 O ATOM 771 CB ALA A 50 -8.068 -3.325 -12.772 1.00 0.00 C ATOM 0 H ALA A 50 -8.045 -1.623 -14.618 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.024 -2.621 -12.747 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.868 -4.171 -12.114 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.444 -2.488 -12.183 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.814 -3.611 -13.514 1.00 0.00 H new ATOM 777 N GLU A 51 -6.921 -4.457 -15.352 1.00 0.00 N ATOM 778 CA GLU A 51 -6.465 -5.622 -16.163 1.00 0.00 C ATOM 779 C GLU A 51 -5.075 -5.354 -16.739 1.00 0.00 C ATOM 780 O GLU A 51 -4.218 -6.212 -16.737 1.00 0.00 O ATOM 781 CB GLU A 51 -7.449 -5.845 -17.312 1.00 0.00 C ATOM 782 CG GLU A 51 -7.628 -4.535 -18.084 1.00 0.00 C ATOM 783 CD GLU A 51 -8.806 -4.664 -19.049 1.00 0.00 C ATOM 784 OE1 GLU A 51 -9.325 -5.759 -19.176 1.00 0.00 O ATOM 785 OE2 GLU A 51 -9.169 -3.663 -19.645 1.00 0.00 O ATOM 0 H GLU A 51 -7.766 -3.997 -15.690 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.422 -6.506 -15.526 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.079 -6.625 -17.977 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.409 -6.186 -16.924 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.802 -3.713 -17.390 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.718 -4.299 -18.635 1.00 0.00 H new ATOM 792 N THR A 52 -4.861 -4.181 -17.254 1.00 0.00 N ATOM 793 CA THR A 52 -3.524 -3.890 -17.849 1.00 0.00 C ATOM 794 C THR A 52 -2.498 -3.836 -16.718 1.00 0.00 C ATOM 795 O THR A 52 -1.565 -4.597 -16.690 1.00 0.00 O ATOM 796 CB THR A 52 -3.570 -2.540 -18.558 1.00 0.00 C ATOM 797 OG1 THR A 52 -2.254 -2.169 -18.943 1.00 0.00 O ATOM 798 CG2 THR A 52 -4.145 -1.482 -17.611 1.00 0.00 C ATOM 0 H THR A 52 -5.538 -3.419 -17.291 1.00 0.00 H new ATOM 0 HA THR A 52 -3.252 -4.663 -18.568 1.00 0.00 H new ATOM 0 HB THR A 52 -4.203 -2.613 -19.442 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.294 -1.389 -19.535 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.177 -0.518 -18.119 1.00 0.00 H new ATOM 0 HG22 THR A 52 -5.154 -1.769 -17.314 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.514 -1.405 -16.726 1.00 0.00 H new ATOM 806 N VAL A 53 -2.645 -2.934 -15.796 1.00 0.00 N ATOM 807 CA VAL A 53 -1.652 -2.828 -14.694 1.00 0.00 C ATOM 808 C VAL A 53 -1.354 -4.231 -14.163 1.00 0.00 C ATOM 809 O VAL A 53 -0.269 -4.516 -13.693 1.00 0.00 O ATOM 810 CB VAL A 53 -2.249 -1.967 -13.570 1.00 0.00 C ATOM 811 CG1 VAL A 53 -1.371 -2.038 -12.320 1.00 0.00 C ATOM 812 CG2 VAL A 53 -2.338 -0.512 -14.034 1.00 0.00 C ATOM 0 H VAL A 53 -3.412 -2.262 -15.756 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.731 -2.370 -15.055 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.243 -2.345 -13.331 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.808 -1.423 -11.533 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.306 -3.071 -11.979 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.372 -1.671 -12.556 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.762 0.099 -13.237 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.341 -0.147 -14.280 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.975 -0.450 -14.916 1.00 0.00 H new ATOM 822 N ILE A 54 -2.303 -5.109 -14.250 1.00 0.00 N ATOM 823 CA ILE A 54 -2.082 -6.500 -13.775 1.00 0.00 C ATOM 824 C ILE A 54 -1.174 -7.271 -14.742 1.00 0.00 C ATOM 825 O ILE A 54 -0.176 -7.838 -14.348 1.00 0.00 O ATOM 826 CB ILE A 54 -3.426 -7.215 -13.661 1.00 0.00 C ATOM 827 CG1 ILE A 54 -3.951 -7.050 -12.238 1.00 0.00 C ATOM 828 CG2 ILE A 54 -3.252 -8.704 -13.973 1.00 0.00 C ATOM 829 CD1 ILE A 54 -5.389 -7.551 -12.163 1.00 0.00 C ATOM 0 H ILE A 54 -3.231 -4.925 -14.632 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.595 -6.461 -12.801 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.132 -6.785 -14.372 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.324 -7.607 -11.541 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.904 -6.002 -11.941 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -4.215 -9.208 -13.890 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.868 -8.821 -14.986 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.550 -9.144 -13.265 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.763 -7.433 -11.146 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.011 -6.975 -12.848 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.422 -8.604 -12.442 1.00 0.00 H new ATOM 841 N ALA A 55 -1.536 -7.327 -15.998 1.00 0.00 N ATOM 842 CA ALA A 55 -0.729 -8.100 -16.991 1.00 0.00 C ATOM 843 C ALA A 55 0.674 -7.502 -17.151 1.00 0.00 C ATOM 844 O ALA A 55 1.652 -8.217 -17.267 1.00 0.00 O ATOM 845 CB ALA A 55 -1.435 -8.075 -18.345 1.00 0.00 C ATOM 0 H ALA A 55 -2.362 -6.867 -16.381 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.632 -9.124 -16.629 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.849 -8.638 -19.071 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.423 -8.525 -18.249 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.538 -7.044 -18.683 1.00 0.00 H new ATOM 851 N ALA A 56 0.776 -6.206 -17.194 1.00 0.00 N ATOM 852 CA ALA A 56 2.125 -5.602 -17.388 1.00 0.00 C ATOM 853 C ALA A 56 2.979 -5.884 -16.161 1.00 0.00 C ATOM 854 O ALA A 56 4.044 -6.451 -16.276 1.00 0.00 O ATOM 855 CB ALA A 56 1.953 -4.097 -17.529 1.00 0.00 C ATOM 0 H ALA A 56 0.002 -5.547 -17.105 1.00 0.00 H new ATOM 0 HA ALA A 56 2.604 -6.020 -18.273 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.928 -3.631 -17.672 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.318 -3.882 -18.389 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.489 -3.698 -16.627 1.00 0.00 H new ATOM 861 N TYR A 57 2.586 -5.457 -14.993 1.00 0.00 N ATOM 862 CA TYR A 57 3.458 -5.699 -13.822 1.00 0.00 C ATOM 863 C TYR A 57 3.303 -7.154 -13.401 1.00 0.00 C ATOM 864 O TYR A 57 3.680 -7.556 -12.318 1.00 0.00 O ATOM 865 CB TYR A 57 3.058 -4.763 -12.677 1.00 0.00 C ATOM 866 CG TYR A 57 3.343 -3.321 -13.061 1.00 0.00 C ATOM 867 CD1 TYR A 57 4.650 -2.819 -12.985 1.00 0.00 C ATOM 868 CD2 TYR A 57 2.297 -2.482 -13.472 1.00 0.00 C ATOM 869 CE1 TYR A 57 4.908 -1.483 -13.323 1.00 0.00 C ATOM 870 CE2 TYR A 57 2.555 -1.146 -13.806 1.00 0.00 C ATOM 871 CZ TYR A 57 3.861 -0.646 -13.733 1.00 0.00 C ATOM 872 OH TYR A 57 4.119 0.670 -14.059 1.00 0.00 O ATOM 0 H TYR A 57 1.715 -4.961 -14.805 1.00 0.00 H new ATOM 0 HA TYR A 57 4.499 -5.501 -14.076 1.00 0.00 H new ATOM 0 HB2 TYR A 57 1.999 -4.885 -12.450 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.610 -5.023 -11.774 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.458 -3.461 -12.666 1.00 0.00 H new ATOM 0 HD2 TYR A 57 1.290 -2.867 -13.531 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.915 -1.098 -13.267 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.747 -0.502 -14.120 1.00 0.00 H new ATOM 0 HH TYR A 57 3.285 1.111 -14.323 1.00 0.00 H new ATOM 882 N GLN A 58 2.746 -7.952 -14.266 1.00 0.00 N ATOM 883 CA GLN A 58 2.564 -9.388 -13.937 1.00 0.00 C ATOM 884 C GLN A 58 3.929 -10.026 -13.711 1.00 0.00 C ATOM 885 O GLN A 58 4.129 -10.774 -12.778 1.00 0.00 O ATOM 886 CB GLN A 58 1.864 -10.083 -15.101 1.00 0.00 C ATOM 887 CG GLN A 58 1.475 -11.505 -14.699 1.00 0.00 C ATOM 888 CD GLN A 58 -0.006 -11.541 -14.312 1.00 0.00 C ATOM 889 OE1 GLN A 58 -0.398 -10.943 -13.221 1.00 0.00 O flip ATOM 890 NE2 GLN A 58 -0.815 -12.111 -15.016 1.00 0.00 N flip ATOM 0 H GLN A 58 2.409 -7.670 -15.187 1.00 0.00 H new ATOM 0 HA GLN A 58 1.960 -9.488 -13.035 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.976 -9.522 -15.390 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.522 -10.108 -15.970 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.663 -12.192 -15.525 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.088 -11.838 -13.862 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.509 -12.579 -15.869 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.801 -12.122 -14.754 1.00 0.00 H new ATOM 899 N HIS A 59 4.868 -9.740 -14.566 1.00 0.00 N ATOM 900 CA HIS A 59 6.220 -10.330 -14.416 1.00 0.00 C ATOM 901 C HIS A 59 6.788 -9.940 -13.052 1.00 0.00 C ATOM 902 O HIS A 59 7.595 -10.644 -12.479 1.00 0.00 O ATOM 903 CB HIS A 59 7.119 -9.794 -15.532 1.00 0.00 C ATOM 904 CG HIS A 59 7.463 -8.356 -15.261 1.00 0.00 C ATOM 905 ND1 HIS A 59 8.157 -7.749 -14.243 1.00 0.00 N flip ATOM 906 CD2 HIS A 59 7.069 -7.336 -16.112 1.00 0.00 C flip ATOM 907 CE1 HIS A 59 8.190 -6.378 -14.461 1.00 0.00 C flip ATOM 908 NE2 HIS A 59 7.522 -6.180 -15.597 1.00 0.00 N flip ATOM 0 H HIS A 59 4.754 -9.119 -15.367 1.00 0.00 H new ATOM 0 HA HIS A 59 6.169 -11.417 -14.483 1.00 0.00 H new ATOM 0 HB2 HIS A 59 8.030 -10.390 -15.596 1.00 0.00 H new ATOM 0 HB3 HIS A 59 6.613 -9.882 -16.493 1.00 0.00 H new ATOM 0 HD2 HIS A 59 6.501 -7.449 -17.024 1.00 0.00 H new ATOM 0 HE1 HIS A 59 8.659 -5.629 -13.840 1.00 0.00 H new ATOM 0 HE2 HIS A 59 7.373 -5.265 -16.023 1.00 0.00 H new ATOM 917 N ALA A 60 6.361 -8.821 -12.525 1.00 0.00 N ATOM 918 CA ALA A 60 6.865 -8.380 -11.194 1.00 0.00 C ATOM 919 C ALA A 60 6.145 -9.169 -10.097 1.00 0.00 C ATOM 920 O ALA A 60 6.678 -9.385 -9.031 1.00 0.00 O ATOM 921 CB ALA A 60 6.597 -6.880 -11.015 1.00 0.00 C ATOM 0 H ALA A 60 5.684 -8.195 -12.961 1.00 0.00 H new ATOM 0 HA ALA A 60 7.938 -8.562 -11.128 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.966 -6.558 -10.041 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.109 -6.323 -11.799 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.525 -6.692 -11.077 1.00 0.00 H new ATOM 927 N ILE A 61 4.940 -9.603 -10.352 1.00 0.00 N ATOM 928 CA ILE A 61 4.186 -10.386 -9.326 1.00 0.00 C ATOM 929 C ILE A 61 4.885 -11.723 -9.063 1.00 0.00 C ATOM 930 O ILE A 61 4.856 -12.243 -7.966 1.00 0.00 O ATOM 931 CB ILE A 61 2.755 -10.636 -9.823 1.00 0.00 C ATOM 932 CG1 ILE A 61 2.025 -9.297 -9.934 1.00 0.00 C ATOM 933 CG2 ILE A 61 2.000 -11.545 -8.845 1.00 0.00 C ATOM 934 CD1 ILE A 61 0.623 -9.528 -10.493 1.00 0.00 C ATOM 0 H ILE A 61 4.442 -9.449 -11.229 1.00 0.00 H new ATOM 0 HA ILE A 61 4.154 -9.818 -8.396 1.00 0.00 H new ATOM 0 HB ILE A 61 2.796 -11.124 -10.797 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.964 -8.821 -8.955 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.580 -8.620 -10.583 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.987 -11.712 -9.212 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.518 -12.500 -8.762 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.957 -11.069 -7.865 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.101 -8.574 -10.573 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.696 -9.985 -11.480 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.070 -10.189 -9.826 1.00 0.00 H new ATOM 946 N ASP A 62 5.490 -12.298 -10.063 1.00 0.00 N ATOM 947 CA ASP A 62 6.168 -13.619 -9.880 1.00 0.00 C ATOM 948 C ASP A 62 7.363 -13.519 -8.911 1.00 0.00 C ATOM 949 O ASP A 62 7.605 -14.409 -8.122 1.00 0.00 O ATOM 950 CB ASP A 62 6.672 -14.104 -11.241 1.00 0.00 C ATOM 951 CG ASP A 62 7.139 -15.554 -11.118 1.00 0.00 C ATOM 952 OD1 ASP A 62 6.949 -16.127 -10.060 1.00 0.00 O ATOM 953 OD2 ASP A 62 7.678 -16.067 -12.085 1.00 0.00 O ATOM 0 H ASP A 62 5.547 -11.911 -11.005 1.00 0.00 H new ATOM 0 HA ASP A 62 5.447 -14.318 -9.456 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.878 -14.027 -11.984 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.492 -13.473 -11.584 1.00 0.00 H new ATOM 958 N LYS A 63 8.104 -12.448 -8.962 1.00 0.00 N ATOM 959 CA LYS A 63 9.283 -12.244 -8.055 1.00 0.00 C ATOM 960 C LYS A 63 8.861 -11.564 -6.747 1.00 0.00 C ATOM 961 O LYS A 63 9.598 -11.524 -5.782 1.00 0.00 O ATOM 962 CB LYS A 63 10.329 -11.396 -8.780 1.00 0.00 C ATOM 963 CG LYS A 63 11.557 -11.244 -7.888 1.00 0.00 C ATOM 964 CD LYS A 63 11.544 -9.859 -7.243 1.00 0.00 C ATOM 965 CE LYS A 63 11.914 -8.804 -8.285 1.00 0.00 C ATOM 966 NZ LYS A 63 13.247 -8.229 -7.951 1.00 0.00 N ATOM 0 H LYS A 63 7.941 -11.679 -9.612 1.00 0.00 H new ATOM 0 HA LYS A 63 9.707 -13.215 -7.801 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.606 -11.867 -9.723 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.917 -10.416 -9.022 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.560 -12.016 -7.119 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.466 -11.376 -8.475 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.557 -9.648 -6.832 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.249 -9.827 -6.412 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.936 -9.250 -9.279 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.160 -8.017 -8.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.502 -7.510 -8.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.209 -7.790 -7.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.961 -8.985 -7.952 1.00 0.00 H new ATOM 980 N LEU A 64 7.704 -10.975 -6.745 1.00 0.00 N ATOM 981 CA LEU A 64 7.246 -10.238 -5.538 1.00 0.00 C ATOM 982 C LEU A 64 7.277 -11.178 -4.344 1.00 0.00 C ATOM 983 O LEU A 64 8.181 -11.109 -3.537 1.00 0.00 O ATOM 984 CB LEU A 64 5.822 -9.726 -5.773 1.00 0.00 C ATOM 985 CG LEU A 64 5.508 -8.554 -4.835 1.00 0.00 C ATOM 986 CD1 LEU A 64 4.516 -7.602 -5.499 1.00 0.00 C ATOM 987 CD2 LEU A 64 4.931 -9.059 -3.515 1.00 0.00 C ATOM 0 H LEU A 64 7.052 -10.971 -7.529 1.00 0.00 H new ATOM 0 HA LEU A 64 7.901 -9.389 -5.342 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.710 -9.409 -6.810 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.108 -10.533 -5.608 1.00 0.00 H new ATOM 0 HG LEU A 64 6.437 -8.022 -4.630 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.300 -6.773 -4.825 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.946 -7.215 -6.423 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.593 -8.137 -5.724 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.715 -8.212 -2.864 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.012 -9.612 -3.708 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.654 -9.715 -3.029 1.00 0.00 H new ATOM 999 N VAL A 65 6.353 -12.072 -4.224 1.00 0.00 N ATOM 1000 CA VAL A 65 6.420 -13.007 -3.077 1.00 0.00 C ATOM 1001 C VAL A 65 5.953 -14.373 -3.538 1.00 0.00 C ATOM 1002 O VAL A 65 4.842 -14.534 -4.001 1.00 0.00 O ATOM 1003 CB VAL A 65 5.513 -12.493 -1.957 1.00 0.00 C ATOM 1004 CG1 VAL A 65 5.136 -13.643 -1.023 1.00 0.00 C ATOM 1005 CG2 VAL A 65 6.236 -11.407 -1.150 1.00 0.00 C ATOM 0 H VAL A 65 5.564 -12.199 -4.858 1.00 0.00 H new ATOM 0 HA VAL A 65 7.441 -13.078 -2.703 1.00 0.00 H new ATOM 0 HB VAL A 65 4.612 -12.074 -2.404 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.490 -13.269 -0.228 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.609 -14.412 -1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.040 -14.068 -0.586 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.582 -11.048 -0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.144 -11.822 -0.713 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.497 -10.578 -1.808 1.00 0.00 H new ATOM 1015 N ALA A 66 6.776 -15.370 -3.406 1.00 0.00 N ATOM 1016 CA ALA A 66 6.335 -16.719 -3.831 1.00 0.00 C ATOM 1017 C ALA A 66 5.854 -17.485 -2.596 1.00 0.00 C ATOM 1018 O ALA A 66 6.639 -17.909 -1.771 1.00 0.00 O ATOM 1019 CB ALA A 66 7.524 -17.447 -4.461 1.00 0.00 C ATOM 0 H ALA A 66 7.721 -15.311 -3.028 1.00 0.00 H new ATOM 0 HA ALA A 66 5.525 -16.649 -4.557 1.00 0.00 H new ATOM 0 HB1 ALA A 66 7.214 -18.442 -4.779 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.879 -16.884 -5.324 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.327 -17.533 -3.729 1.00 0.00 H new ATOM 1025 N GLU A 67 4.569 -17.676 -2.470 1.00 0.00 N ATOM 1026 CA GLU A 67 4.033 -18.429 -1.299 1.00 0.00 C ATOM 1027 C GLU A 67 2.574 -18.803 -1.564 1.00 0.00 C ATOM 1028 O GLU A 67 1.921 -18.200 -2.387 1.00 0.00 O ATOM 1029 CB GLU A 67 4.135 -17.562 -0.043 1.00 0.00 C ATOM 1030 CG GLU A 67 3.015 -16.524 -0.043 1.00 0.00 C ATOM 1031 CD GLU A 67 3.288 -15.488 1.049 1.00 0.00 C ATOM 1032 OE1 GLU A 67 4.274 -15.643 1.750 1.00 0.00 O ATOM 1033 OE2 GLU A 67 2.508 -14.557 1.164 1.00 0.00 O ATOM 0 H GLU A 67 3.865 -17.342 -3.129 1.00 0.00 H new ATOM 0 HA GLU A 67 4.614 -19.339 -1.148 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.066 -18.186 0.848 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.105 -17.065 -0.010 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.955 -16.037 -1.016 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.054 -17.008 0.131 1.00 0.00 H new ATOM 1040 N LYS A 68 2.041 -19.759 -0.853 1.00 0.00 N ATOM 1041 CA LYS A 68 0.607 -20.125 -1.061 1.00 0.00 C ATOM 1042 C LYS A 68 0.290 -20.154 -2.557 1.00 0.00 C ATOM 1043 O LYS A 68 1.172 -20.105 -3.390 1.00 0.00 O ATOM 1044 CB LYS A 68 -0.282 -19.083 -0.372 1.00 0.00 C ATOM 1045 CG LYS A 68 -0.087 -19.173 1.141 1.00 0.00 C ATOM 1046 CD LYS A 68 -1.070 -18.230 1.840 1.00 0.00 C ATOM 1047 CE LYS A 68 -0.833 -18.265 3.351 1.00 0.00 C ATOM 1048 NZ LYS A 68 0.363 -19.100 3.649 1.00 0.00 N ATOM 0 H LYS A 68 2.531 -20.301 -0.141 1.00 0.00 H new ATOM 0 HA LYS A 68 0.419 -21.111 -0.637 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.029 -18.083 -0.724 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.328 -19.255 -0.626 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.247 -20.197 1.479 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.937 -18.907 1.403 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.943 -17.214 1.466 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.095 -18.526 1.616 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.687 -17.254 3.730 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.708 -18.672 3.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.523 -19.123 4.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.206 -20.068 3.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.196 -18.694 3.178 1.00 0.00 H new ATOM 1062 N GLY A 69 -0.962 -20.247 -2.911 1.00 0.00 N ATOM 1063 CA GLY A 69 -1.314 -20.288 -4.356 1.00 0.00 C ATOM 1064 C GLY A 69 -0.834 -19.003 -5.034 1.00 0.00 C ATOM 1065 O GLY A 69 -0.327 -19.032 -6.136 1.00 0.00 O ATOM 0 H GLY A 69 -1.751 -20.296 -2.266 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -0.854 -21.155 -4.829 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.392 -20.394 -4.476 1.00 0.00 H new ATOM 1069 N TYR A 70 -0.977 -17.878 -4.386 1.00 0.00 N ATOM 1070 CA TYR A 70 -0.519 -16.596 -5.001 1.00 0.00 C ATOM 1071 C TYR A 70 -0.892 -16.579 -6.487 1.00 0.00 C ATOM 1072 O TYR A 70 -0.063 -16.388 -7.352 1.00 0.00 O ATOM 1073 CB TYR A 70 0.999 -16.467 -4.835 1.00 0.00 C ATOM 1074 CG TYR A 70 1.303 -15.342 -3.880 1.00 0.00 C ATOM 1075 CD1 TYR A 70 0.881 -15.423 -2.551 1.00 0.00 C ATOM 1076 CD2 TYR A 70 2.014 -14.222 -4.327 1.00 0.00 C ATOM 1077 CE1 TYR A 70 1.170 -14.388 -1.662 1.00 0.00 C ATOM 1078 CE2 TYR A 70 2.304 -13.178 -3.443 1.00 0.00 C ATOM 1079 CZ TYR A 70 1.881 -13.260 -2.105 1.00 0.00 C ATOM 1080 OH TYR A 70 2.169 -12.235 -1.226 1.00 0.00 O ATOM 0 H TYR A 70 -1.391 -17.790 -3.458 1.00 0.00 H new ATOM 0 HA TYR A 70 -1.004 -15.755 -4.505 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.416 -17.401 -4.458 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.467 -16.276 -5.801 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.330 -16.288 -2.212 1.00 0.00 H new ATOM 0 HD2 TYR A 70 2.339 -14.164 -5.355 1.00 0.00 H new ATOM 0 HE1 TYR A 70 0.847 -14.454 -0.633 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.851 -12.312 -3.787 1.00 0.00 H new ATOM 0 HH TYR A 70 2.337 -12.606 -0.335 1.00 0.00 H new ATOM 1090 N GLN A 71 -2.145 -16.776 -6.788 1.00 0.00 N ATOM 1091 CA GLN A 71 -2.581 -16.768 -8.211 1.00 0.00 C ATOM 1092 C GLN A 71 -3.773 -15.831 -8.377 1.00 0.00 C ATOM 1093 O GLN A 71 -4.393 -15.788 -9.422 1.00 0.00 O ATOM 1094 CB GLN A 71 -2.961 -18.185 -8.643 1.00 0.00 C ATOM 1095 CG GLN A 71 -1.704 -18.927 -9.104 1.00 0.00 C ATOM 1096 CD GLN A 71 -2.080 -20.342 -9.545 1.00 0.00 C ATOM 1097 OE1 GLN A 71 -3.298 -20.765 -9.354 1.00 0.00 O flip ATOM 1098 NE2 GLN A 71 -1.256 -21.068 -10.066 1.00 0.00 N flip ATOM 0 H GLN A 71 -2.887 -16.942 -6.108 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.762 -16.415 -8.838 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -3.428 -18.717 -7.814 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.692 -18.148 -9.451 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.234 -18.391 -9.928 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.976 -18.968 -8.294 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.304 -20.734 -10.214 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.517 -22.011 -10.355 1.00 0.00 H new ATOM 1107 N SER A 72 -4.097 -15.071 -7.363 1.00 0.00 N ATOM 1108 CA SER A 72 -5.242 -14.133 -7.490 1.00 0.00 C ATOM 1109 C SER A 72 -4.814 -12.724 -7.078 1.00 0.00 C ATOM 1110 O SER A 72 -4.241 -12.508 -6.029 1.00 0.00 O ATOM 1111 CB SER A 72 -6.376 -14.607 -6.582 1.00 0.00 C ATOM 1112 OG SER A 72 -6.860 -15.856 -7.059 1.00 0.00 O ATOM 0 H SER A 72 -3.620 -15.062 -6.461 1.00 0.00 H new ATOM 0 HA SER A 72 -5.579 -14.111 -8.526 1.00 0.00 H new ATOM 0 HB2 SER A 72 -6.020 -14.708 -5.557 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.180 -13.872 -6.569 1.00 0.00 H new ATOM 0 HG SER A 72 -7.587 -16.168 -6.480 1.00 0.00 H new ATOM 1118 N TRP A 73 -5.099 -11.769 -7.916 1.00 0.00 N ATOM 1119 CA TRP A 73 -4.726 -10.363 -7.605 1.00 0.00 C ATOM 1120 C TRP A 73 -5.732 -9.403 -8.238 1.00 0.00 C ATOM 1121 O TRP A 73 -6.401 -9.725 -9.202 1.00 0.00 O ATOM 1122 CB TRP A 73 -3.307 -10.075 -8.113 1.00 0.00 C ATOM 1123 CG TRP A 73 -2.910 -11.091 -9.135 1.00 0.00 C ATOM 1124 CD1 TRP A 73 -3.411 -11.184 -10.386 1.00 0.00 C ATOM 1125 CD2 TRP A 73 -1.927 -12.153 -9.009 1.00 0.00 C ATOM 1126 NE1 TRP A 73 -2.801 -12.246 -11.030 1.00 0.00 N ATOM 1127 CE2 TRP A 73 -1.882 -12.877 -10.218 1.00 0.00 C ATOM 1128 CE3 TRP A 73 -1.084 -12.553 -7.965 1.00 0.00 C ATOM 1129 CZ2 TRP A 73 -1.028 -13.968 -10.384 1.00 0.00 C ATOM 1130 CZ3 TRP A 73 -0.220 -13.646 -8.122 1.00 0.00 C ATOM 1131 CH2 TRP A 73 -0.194 -14.357 -9.331 1.00 0.00 C ATOM 0 H TRP A 73 -5.577 -11.903 -8.807 1.00 0.00 H new ATOM 0 HA TRP A 73 -4.744 -10.217 -6.525 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -3.264 -9.076 -8.547 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -2.604 -10.092 -7.280 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -4.163 -10.537 -10.813 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -3.006 -12.528 -11.989 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -1.099 -12.014 -7.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -1.011 -14.508 -11.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 0.427 -13.941 -7.310 1.00 0.00 H new ATOM 0 HH2 TRP A 73 0.468 -15.202 -9.448 1.00 0.00 H new ATOM 1142 N ASP A 74 -5.854 -8.227 -7.687 1.00 0.00 N ATOM 1143 CA ASP A 74 -6.825 -7.240 -8.233 1.00 0.00 C ATOM 1144 C ASP A 74 -6.251 -5.829 -8.105 1.00 0.00 C ATOM 1145 O ASP A 74 -5.259 -5.608 -7.444 1.00 0.00 O ATOM 1146 CB ASP A 74 -8.138 -7.332 -7.454 1.00 0.00 C ATOM 1147 CG ASP A 74 -9.205 -6.496 -8.163 1.00 0.00 C ATOM 1148 OD1 ASP A 74 -8.910 -5.974 -9.226 1.00 0.00 O ATOM 1149 OD2 ASP A 74 -10.297 -6.390 -7.631 1.00 0.00 O ATOM 0 H ASP A 74 -5.320 -7.907 -6.879 1.00 0.00 H new ATOM 0 HA ASP A 74 -7.011 -7.459 -9.285 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -8.461 -8.371 -7.384 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.996 -6.973 -6.435 1.00 0.00 H new ATOM 1154 N VAL A 75 -6.866 -4.875 -8.749 1.00 0.00 N ATOM 1155 CA VAL A 75 -6.361 -3.475 -8.682 1.00 0.00 C ATOM 1156 C VAL A 75 -7.470 -2.549 -8.195 1.00 0.00 C ATOM 1157 O VAL A 75 -8.641 -2.833 -8.353 1.00 0.00 O ATOM 1158 CB VAL A 75 -5.920 -3.025 -10.072 1.00 0.00 C ATOM 1159 CG1 VAL A 75 -5.014 -1.799 -9.953 1.00 0.00 C ATOM 1160 CG2 VAL A 75 -5.159 -4.159 -10.758 1.00 0.00 C ATOM 0 H VAL A 75 -7.700 -5.006 -9.321 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.518 -3.434 -7.992 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.798 -2.767 -10.664 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.701 -1.480 -10.947 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.559 -0.990 -9.467 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.135 -2.052 -9.360 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.844 -3.837 -11.751 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.282 -4.419 -10.166 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.808 -5.030 -10.848 1.00 0.00 H new ATOM 1170 N ILE A 76 -7.110 -1.446 -7.597 1.00 0.00 N ATOM 1171 CA ILE A 76 -8.142 -0.496 -7.100 1.00 0.00 C ATOM 1172 C ILE A 76 -7.893 0.886 -7.709 1.00 0.00 C ATOM 1173 O ILE A 76 -7.058 1.637 -7.243 1.00 0.00 O ATOM 1174 CB ILE A 76 -8.042 -0.396 -5.580 1.00 0.00 C ATOM 1175 CG1 ILE A 76 -8.038 -1.799 -4.967 1.00 0.00 C ATOM 1176 CG2 ILE A 76 -9.249 0.374 -5.057 1.00 0.00 C ATOM 1177 CD1 ILE A 76 -7.767 -1.701 -3.461 1.00 0.00 C ATOM 0 H ILE A 76 -6.144 -1.163 -7.432 1.00 0.00 H new ATOM 0 HA ILE A 76 -9.133 -0.851 -7.384 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.120 0.118 -5.308 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.997 -2.287 -5.143 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.275 -2.414 -5.445 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.188 0.452 -3.971 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.260 1.373 -5.492 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.163 -0.152 -5.333 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.764 -2.700 -3.026 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.798 -1.231 -3.296 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.546 -1.102 -2.989 1.00 0.00 H new ATOM 1189 N SER A 77 -8.613 1.223 -8.743 1.00 0.00 N ATOM 1190 CA SER A 77 -8.426 2.553 -9.389 1.00 0.00 C ATOM 1191 C SER A 77 -9.679 3.406 -9.175 1.00 0.00 C ATOM 1192 O SER A 77 -10.790 2.944 -9.338 1.00 0.00 O ATOM 1193 CB SER A 77 -8.190 2.356 -10.888 1.00 0.00 C ATOM 1194 OG SER A 77 -8.638 1.059 -11.269 1.00 0.00 O ATOM 0 H SER A 77 -9.326 0.632 -9.170 1.00 0.00 H new ATOM 0 HA SER A 77 -7.567 3.058 -8.947 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.724 3.119 -11.455 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.131 2.470 -11.119 1.00 0.00 H new ATOM 0 HG SER A 77 -8.490 0.931 -12.229 1.00 0.00 H new ATOM 1200 N LEU A 78 -9.507 4.649 -8.815 1.00 0.00 N ATOM 1201 CA LEU A 78 -10.688 5.529 -8.595 1.00 0.00 C ATOM 1202 C LEU A 78 -10.849 6.477 -9.786 1.00 0.00 C ATOM 1203 O LEU A 78 -9.948 7.216 -10.131 1.00 0.00 O ATOM 1204 CB LEU A 78 -10.481 6.348 -7.320 1.00 0.00 C ATOM 1205 CG LEU A 78 -10.196 5.408 -6.149 1.00 0.00 C ATOM 1206 CD1 LEU A 78 -10.071 6.219 -4.857 1.00 0.00 C ATOM 1207 CD2 LEU A 78 -11.341 4.405 -6.009 1.00 0.00 C ATOM 0 H LEU A 78 -8.601 5.092 -8.664 1.00 0.00 H new ATOM 0 HA LEU A 78 -11.583 4.916 -8.495 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -9.652 7.043 -7.452 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -11.368 6.946 -7.112 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.264 4.874 -6.334 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.868 5.547 -4.024 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.254 6.934 -4.954 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -11.002 6.755 -4.672 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -11.138 3.735 -5.174 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -12.273 4.940 -5.826 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -11.430 3.824 -6.927 1.00 0.00 H new ATOM 1219 N ARG A 79 -11.992 6.463 -10.410 1.00 0.00 N ATOM 1220 CA ARG A 79 -12.221 7.363 -11.577 1.00 0.00 C ATOM 1221 C ARG A 79 -13.001 8.602 -11.123 1.00 0.00 C ATOM 1222 O ARG A 79 -13.890 8.522 -10.299 1.00 0.00 O ATOM 1223 CB ARG A 79 -13.027 6.620 -12.643 1.00 0.00 C ATOM 1224 CG ARG A 79 -12.163 5.535 -13.290 1.00 0.00 C ATOM 1225 CD ARG A 79 -11.039 6.181 -14.103 1.00 0.00 C ATOM 1226 NE ARG A 79 -10.702 5.309 -15.264 1.00 0.00 N ATOM 1227 CZ ARG A 79 -9.843 4.337 -15.127 1.00 0.00 C ATOM 1228 NH1 ARG A 79 -9.278 4.119 -13.971 1.00 0.00 N ATOM 1229 NH2 ARG A 79 -9.550 3.580 -16.149 1.00 0.00 N ATOM 0 H ARG A 79 -12.781 5.866 -10.163 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.261 7.669 -11.992 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -13.913 6.171 -12.194 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -13.375 7.321 -13.402 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -11.742 4.887 -12.522 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.776 4.907 -13.936 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.348 7.166 -14.452 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -10.159 6.326 -13.476 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.144 5.473 -16.168 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -9.508 4.709 -13.172 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -8.607 3.358 -13.867 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.992 3.749 -17.052 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.879 2.819 -16.044 1.00 0.00 H new ATOM 1243 N ALA A 80 -12.673 9.747 -11.659 1.00 0.00 N ATOM 1244 CA ALA A 80 -13.391 10.996 -11.268 1.00 0.00 C ATOM 1245 C ALA A 80 -14.721 11.085 -12.023 1.00 0.00 C ATOM 1246 O ALA A 80 -15.631 11.790 -11.629 1.00 0.00 O ATOM 1247 CB ALA A 80 -12.521 12.202 -11.617 1.00 0.00 C ATOM 0 H ALA A 80 -11.936 9.872 -12.353 1.00 0.00 H new ATOM 0 HA ALA A 80 -13.590 10.984 -10.196 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -13.039 13.118 -11.334 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -11.576 12.138 -11.077 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -12.326 12.212 -12.689 1.00 0.00 H new ATOM 1253 N ASP A 81 -14.830 10.375 -13.109 1.00 0.00 N ATOM 1254 CA ASP A 81 -16.092 10.406 -13.904 1.00 0.00 C ATOM 1255 C ASP A 81 -17.015 9.288 -13.430 1.00 0.00 C ATOM 1256 O ASP A 81 -17.924 8.888 -14.129 1.00 0.00 O ATOM 1257 CB ASP A 81 -15.782 10.211 -15.391 1.00 0.00 C ATOM 1258 CG ASP A 81 -14.969 11.399 -15.904 1.00 0.00 C ATOM 1259 OD1 ASP A 81 -14.899 12.393 -15.201 1.00 0.00 O ATOM 1260 OD2 ASP A 81 -14.430 11.295 -16.994 1.00 0.00 O ATOM 0 H ASP A 81 -14.098 9.772 -13.484 1.00 0.00 H new ATOM 0 HA ASP A 81 -16.578 11.372 -13.764 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -15.226 9.285 -15.539 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -16.709 10.120 -15.957 1.00 0.00 H new ATOM 1265 N ASN A 82 -16.789 8.785 -12.245 1.00 0.00 N ATOM 1266 CA ASN A 82 -17.656 7.693 -11.716 1.00 0.00 C ATOM 1267 C ASN A 82 -18.192 8.071 -10.318 1.00 0.00 C ATOM 1268 O ASN A 82 -17.457 8.055 -9.354 1.00 0.00 O ATOM 1269 CB ASN A 82 -16.845 6.404 -11.613 1.00 0.00 C ATOM 1270 CG ASN A 82 -17.792 5.211 -11.713 1.00 0.00 C ATOM 1271 OD1 ASN A 82 -18.881 5.199 -10.994 1.00 0.00 O flip ATOM 1272 ND2 ASN A 82 -17.543 4.281 -12.455 1.00 0.00 N flip ATOM 0 H ASN A 82 -16.040 9.084 -11.620 1.00 0.00 H new ATOM 0 HA ASN A 82 -18.497 7.547 -12.395 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -16.102 6.362 -12.409 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -16.302 6.375 -10.668 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -16.692 4.291 -13.017 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -18.185 3.491 -12.516 1.00 0.00 H new ATOM 1279 N PRO A 83 -19.465 8.401 -10.199 1.00 0.00 N ATOM 1280 CA PRO A 83 -20.086 8.776 -8.883 1.00 0.00 C ATOM 1281 C PRO A 83 -19.706 7.803 -7.757 1.00 0.00 C ATOM 1282 O PRO A 83 -20.042 7.993 -6.602 1.00 0.00 O ATOM 1283 CB PRO A 83 -21.589 8.709 -9.164 1.00 0.00 C ATOM 1284 CG PRO A 83 -21.726 8.987 -10.626 1.00 0.00 C ATOM 1285 CD PRO A 83 -20.453 8.459 -11.294 1.00 0.00 C ATOM 0 HA PRO A 83 -19.747 9.753 -8.539 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -21.994 7.730 -8.910 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -22.134 9.443 -8.571 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -22.609 8.495 -11.033 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -21.844 10.055 -10.808 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -20.614 7.476 -11.737 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -20.121 9.119 -12.095 1.00 0.00 H new ATOM 1293 N GLN A 84 -18.998 6.763 -8.096 1.00 0.00 N ATOM 1294 CA GLN A 84 -18.584 5.772 -7.061 1.00 0.00 C ATOM 1295 C GLN A 84 -17.338 6.283 -6.336 1.00 0.00 C ATOM 1296 O GLN A 84 -16.754 5.593 -5.534 1.00 0.00 O ATOM 1297 CB GLN A 84 -18.279 4.422 -7.716 1.00 0.00 C ATOM 1298 CG GLN A 84 -19.560 3.850 -8.325 1.00 0.00 C ATOM 1299 CD GLN A 84 -20.391 3.183 -7.226 1.00 0.00 C ATOM 1300 OE1 GLN A 84 -21.034 3.927 -6.366 1.00 0.00 O flip ATOM 1301 NE2 GLN A 84 -20.448 1.973 -7.141 1.00 0.00 N flip ATOM 0 H GLN A 84 -18.687 6.555 -9.045 1.00 0.00 H new ATOM 0 HA GLN A 84 -19.397 5.643 -6.346 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -17.519 4.544 -8.488 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -17.874 3.730 -6.977 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -20.136 4.644 -8.801 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -19.315 3.125 -9.101 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -19.947 1.390 -7.812 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -20.997 1.539 -6.399 1.00 0.00 H new ATOM 1310 N LYS A 85 -16.934 7.491 -6.597 1.00 0.00 N ATOM 1311 CA LYS A 85 -15.728 8.030 -5.912 1.00 0.00 C ATOM 1312 C LYS A 85 -16.103 8.520 -4.510 1.00 0.00 C ATOM 1313 O LYS A 85 -15.292 8.518 -3.604 1.00 0.00 O ATOM 1314 CB LYS A 85 -15.172 9.190 -6.735 1.00 0.00 C ATOM 1315 CG LYS A 85 -16.228 10.293 -6.839 1.00 0.00 C ATOM 1316 CD LYS A 85 -15.777 11.343 -7.856 1.00 0.00 C ATOM 1317 CE LYS A 85 -16.728 12.540 -7.813 1.00 0.00 C ATOM 1318 NZ LYS A 85 -16.438 13.447 -8.960 1.00 0.00 N ATOM 0 H LYS A 85 -17.385 8.129 -7.253 1.00 0.00 H new ATOM 0 HA LYS A 85 -14.974 7.248 -5.820 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -14.268 9.580 -6.269 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -14.893 8.843 -7.730 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -17.185 9.867 -7.141 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -16.380 10.758 -5.865 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -14.760 11.666 -7.634 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -15.763 10.912 -8.857 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -17.762 12.198 -7.858 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -16.611 13.077 -6.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -17.274 14.033 -9.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -15.633 14.061 -8.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -16.204 12.880 -9.800 1.00 0.00 H new ATOM 1332 N GLU A 86 -17.326 8.928 -4.319 1.00 0.00 N ATOM 1333 CA GLU A 86 -17.744 9.401 -2.969 1.00 0.00 C ATOM 1334 C GLU A 86 -18.087 8.193 -2.085 1.00 0.00 C ATOM 1335 O GLU A 86 -17.614 8.070 -0.965 1.00 0.00 O ATOM 1336 CB GLU A 86 -18.969 10.303 -3.111 1.00 0.00 C ATOM 1337 CG GLU A 86 -19.251 10.995 -1.778 1.00 0.00 C ATOM 1338 CD GLU A 86 -20.520 11.839 -1.902 1.00 0.00 C ATOM 1339 OE1 GLU A 86 -21.119 11.820 -2.964 1.00 0.00 O ATOM 1340 OE2 GLU A 86 -20.870 12.492 -0.932 1.00 0.00 O ATOM 0 H GLU A 86 -18.052 8.955 -5.035 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.931 9.962 -2.507 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -18.798 11.046 -3.890 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -19.834 9.714 -3.417 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -19.370 10.253 -0.989 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -18.407 11.626 -1.498 1.00 0.00 H new ATOM 1347 N ALA A 87 -18.904 7.295 -2.579 1.00 0.00 N ATOM 1348 CA ALA A 87 -19.283 6.095 -1.776 1.00 0.00 C ATOM 1349 C ALA A 87 -18.061 5.209 -1.577 1.00 0.00 C ATOM 1350 O ALA A 87 -17.965 4.474 -0.612 1.00 0.00 O ATOM 1351 CB ALA A 87 -20.371 5.311 -2.508 1.00 0.00 C ATOM 0 H ALA A 87 -19.325 7.343 -3.507 1.00 0.00 H new ATOM 0 HA ALA A 87 -19.660 6.414 -0.805 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -20.646 4.435 -1.920 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -21.246 5.946 -2.646 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -19.997 4.992 -3.481 1.00 0.00 H new ATOM 1357 N LEU A 88 -17.126 5.260 -2.483 1.00 0.00 N ATOM 1358 CA LEU A 88 -15.920 4.408 -2.343 1.00 0.00 C ATOM 1359 C LEU A 88 -15.156 4.827 -1.098 1.00 0.00 C ATOM 1360 O LEU A 88 -14.410 4.055 -0.539 1.00 0.00 O ATOM 1361 CB LEU A 88 -14.990 4.550 -3.556 1.00 0.00 C ATOM 1362 CG LEU A 88 -15.423 3.571 -4.661 1.00 0.00 C ATOM 1363 CD1 LEU A 88 -14.866 4.012 -6.026 1.00 0.00 C ATOM 1364 CD2 LEU A 88 -14.874 2.183 -4.337 1.00 0.00 C ATOM 0 H LEU A 88 -17.147 5.854 -3.312 1.00 0.00 H new ATOM 0 HA LEU A 88 -16.245 3.370 -2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -15.020 5.573 -3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -13.960 4.349 -3.262 1.00 0.00 H new ATOM 0 HG LEU A 88 -16.512 3.556 -4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -15.184 3.306 -6.794 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -15.242 5.006 -6.269 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -13.777 4.037 -5.984 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.176 1.482 -5.115 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -13.786 2.224 -4.288 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -15.268 1.851 -3.376 1.00 0.00 H new ATOM 1376 N ARG A 89 -15.300 6.044 -0.658 1.00 0.00 N ATOM 1377 CA ARG A 89 -14.524 6.441 0.544 1.00 0.00 C ATOM 1378 C ARG A 89 -14.914 5.524 1.711 1.00 0.00 C ATOM 1379 O ARG A 89 -14.113 4.786 2.192 1.00 0.00 O ATOM 1380 CB ARG A 89 -14.916 7.871 0.911 1.00 0.00 C ATOM 1381 CG ARG A 89 -13.840 8.521 1.781 1.00 0.00 C ATOM 1382 CD ARG A 89 -14.489 9.559 2.704 1.00 0.00 C ATOM 1383 NE ARG A 89 -15.459 10.389 1.927 1.00 0.00 N ATOM 1384 CZ ARG A 89 -15.038 11.413 1.235 1.00 0.00 C ATOM 1385 NH1 ARG A 89 -13.767 11.708 1.215 1.00 0.00 N ATOM 1386 NH2 ARG A 89 -15.888 12.143 0.564 1.00 0.00 N ATOM 0 H ARG A 89 -15.902 6.761 -1.064 1.00 0.00 H new ATOM 0 HA ARG A 89 -13.455 6.367 0.346 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -15.060 8.458 0.004 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -15.867 7.867 1.443 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -13.328 7.762 2.372 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -13.087 8.997 1.153 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -15.001 9.059 3.526 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -13.723 10.196 3.146 1.00 0.00 H new ATOM 0 HE ARG A 89 -16.452 10.155 1.937 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -13.103 11.139 1.740 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -13.438 12.508 0.675 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -16.882 11.913 0.580 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -15.558 12.943 0.024 1.00 0.00 H new ATOM 1400 N GLU A 90 -16.148 5.560 2.138 1.00 0.00 N ATOM 1401 CA GLU A 90 -16.594 4.683 3.282 1.00 0.00 C ATOM 1402 C GLU A 90 -16.334 3.222 2.919 1.00 0.00 C ATOM 1403 O GLU A 90 -16.157 2.359 3.758 1.00 0.00 O ATOM 1404 CB GLU A 90 -18.083 4.897 3.575 1.00 0.00 C ATOM 1405 CG GLU A 90 -18.296 6.329 4.071 1.00 0.00 C ATOM 1406 CD GLU A 90 -19.765 6.529 4.438 1.00 0.00 C ATOM 1407 OE1 GLU A 90 -20.543 5.619 4.192 1.00 0.00 O ATOM 1408 OE2 GLU A 90 -20.088 7.581 4.957 1.00 0.00 O ATOM 0 H GLU A 90 -16.876 6.159 1.748 1.00 0.00 H new ATOM 0 HA GLU A 90 -16.031 4.945 4.178 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -18.672 4.719 2.675 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -18.425 4.184 4.326 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -17.664 6.522 4.938 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -18.003 7.040 3.298 1.00 0.00 H new ATOM 1415 N LYS A 91 -16.301 2.987 1.657 1.00 0.00 N ATOM 1416 CA LYS A 91 -16.048 1.613 1.154 1.00 0.00 C ATOM 1417 C LYS A 91 -14.621 1.169 1.529 1.00 0.00 C ATOM 1418 O LYS A 91 -14.412 0.055 1.967 1.00 0.00 O ATOM 1419 CB LYS A 91 -16.209 1.556 -0.359 1.00 0.00 C ATOM 1420 CG LYS A 91 -16.408 0.102 -0.799 1.00 0.00 C ATOM 1421 CD LYS A 91 -16.438 0.021 -2.330 1.00 0.00 C ATOM 1422 CE LYS A 91 -17.063 -1.309 -2.767 1.00 0.00 C ATOM 1423 NZ LYS A 91 -18.460 -1.394 -2.258 1.00 0.00 N ATOM 0 H LYS A 91 -16.439 3.692 0.933 1.00 0.00 H new ATOM 0 HA LYS A 91 -16.774 0.943 1.614 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -17.062 2.160 -0.667 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.329 1.977 -0.845 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -15.602 -0.519 -0.409 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -17.339 -0.288 -0.387 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -17.012 0.854 -2.736 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -15.427 0.106 -2.728 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -17.056 -1.386 -3.854 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -16.474 -2.143 -2.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -19.045 -1.924 -2.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -18.466 -1.882 -1.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -18.846 -0.435 -2.143 1.00 0.00 H new ATOM 1437 N PHE A 92 -13.634 2.023 1.410 1.00 0.00 N ATOM 1438 CA PHE A 92 -12.240 1.629 1.786 1.00 0.00 C ATOM 1439 C PHE A 92 -11.814 2.277 3.102 1.00 0.00 C ATOM 1440 O PHE A 92 -10.733 2.038 3.605 1.00 0.00 O ATOM 1441 CB PHE A 92 -11.302 2.104 0.682 1.00 0.00 C ATOM 1442 CG PHE A 92 -11.045 0.975 -0.262 1.00 0.00 C ATOM 1443 CD1 PHE A 92 -10.425 -0.190 0.194 1.00 0.00 C ATOM 1444 CD2 PHE A 92 -11.428 1.094 -1.595 1.00 0.00 C ATOM 1445 CE1 PHE A 92 -10.184 -1.242 -0.689 1.00 0.00 C ATOM 1446 CE2 PHE A 92 -11.194 0.053 -2.484 1.00 0.00 C ATOM 1447 CZ PHE A 92 -10.568 -1.123 -2.034 1.00 0.00 C ATOM 0 H PHE A 92 -13.734 2.979 1.068 1.00 0.00 H new ATOM 0 HA PHE A 92 -12.200 0.547 1.909 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -11.744 2.946 0.149 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -10.364 2.456 1.111 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -10.132 -0.276 1.230 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -11.908 1.998 -1.939 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -9.704 -2.144 -0.340 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -11.492 0.146 -3.518 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.383 -1.934 -2.723 1.00 0.00 H new ATOM 1457 N LEU A 93 -12.618 3.144 3.623 1.00 0.00 N ATOM 1458 CA LEU A 93 -12.234 3.865 4.864 1.00 0.00 C ATOM 1459 C LEU A 93 -12.685 3.079 6.080 1.00 0.00 C ATOM 1460 O LEU A 93 -12.555 3.546 7.191 1.00 0.00 O ATOM 1461 CB LEU A 93 -12.881 5.269 4.889 1.00 0.00 C ATOM 1462 CG LEU A 93 -11.898 6.328 5.410 1.00 0.00 C ATOM 1463 CD1 LEU A 93 -11.470 5.989 6.834 1.00 0.00 C ATOM 1464 CD2 LEU A 93 -10.664 6.374 4.512 1.00 0.00 C ATOM 0 H LEU A 93 -13.533 3.390 3.244 1.00 0.00 H new ATOM 0 HA LEU A 93 -11.149 3.971 4.883 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -13.210 5.538 3.885 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -13.769 5.251 5.521 1.00 0.00 H new ATOM 0 HG LEU A 93 -12.393 7.299 5.403 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -10.773 6.746 7.194 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -12.347 5.965 7.481 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -10.984 5.013 6.845 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.970 7.127 4.886 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.177 5.399 4.513 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.963 6.629 3.495 1.00 0.00 H new ATOM 1476 N ASN A 94 -13.203 1.892 5.913 1.00 0.00 N ATOM 1477 CA ASN A 94 -13.627 1.123 7.110 1.00 0.00 C ATOM 1478 C ASN A 94 -12.543 0.104 7.449 1.00 0.00 C ATOM 1479 O ASN A 94 -11.642 -0.137 6.669 1.00 0.00 O ATOM 1480 CB ASN A 94 -14.930 0.399 6.792 1.00 0.00 C ATOM 1481 CG ASN A 94 -14.651 -0.687 5.754 1.00 0.00 C ATOM 1482 OD1 ASN A 94 -13.925 -1.623 6.017 1.00 0.00 O ATOM 1483 ND2 ASN A 94 -15.189 -0.591 4.569 1.00 0.00 N ATOM 0 H ASN A 94 -13.348 1.431 5.015 1.00 0.00 H new ATOM 0 HA ASN A 94 -13.778 1.791 7.958 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -15.347 -0.043 7.697 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -15.670 1.103 6.411 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -14.999 -1.303 3.864 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -15.799 0.196 4.348 1.00 0.00 H new ATOM 1490 N GLU A 95 -12.613 -0.496 8.600 1.00 0.00 N ATOM 1491 CA GLU A 95 -11.577 -1.494 8.969 1.00 0.00 C ATOM 1492 C GLU A 95 -11.871 -2.818 8.263 1.00 0.00 C ATOM 1493 O GLU A 95 -12.934 -3.391 8.410 1.00 0.00 O ATOM 1494 CB GLU A 95 -11.610 -1.719 10.480 1.00 0.00 C ATOM 1495 CG GLU A 95 -10.223 -2.126 10.981 1.00 0.00 C ATOM 1496 CD GLU A 95 -9.764 -3.389 10.251 1.00 0.00 C ATOM 1497 OE1 GLU A 95 -10.497 -4.365 10.278 1.00 0.00 O ATOM 1498 OE2 GLU A 95 -8.687 -3.361 9.679 1.00 0.00 O ATOM 0 H GLU A 95 -13.339 -0.340 9.299 1.00 0.00 H new ATOM 0 HA GLU A 95 -10.596 -1.127 8.669 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.935 -0.809 10.984 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.336 -2.495 10.724 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -9.512 -1.317 10.811 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -10.252 -2.305 12.056 1.00 0.00 H new ATOM 1505 N HIS A 96 -10.924 -3.312 7.521 1.00 0.00 N ATOM 1506 CA HIS A 96 -11.102 -4.610 6.811 1.00 0.00 C ATOM 1507 C HIS A 96 -9.796 -5.408 6.955 1.00 0.00 C ATOM 1508 O HIS A 96 -8.723 -4.885 6.742 1.00 0.00 O ATOM 1509 CB HIS A 96 -11.445 -4.328 5.340 1.00 0.00 C ATOM 1510 CG HIS A 96 -10.403 -4.913 4.437 1.00 0.00 C ATOM 1511 ND1 HIS A 96 -10.682 -5.968 3.575 1.00 0.00 N ATOM 1512 CD2 HIS A 96 -9.073 -4.621 4.259 1.00 0.00 C ATOM 1513 CE1 HIS A 96 -9.539 -6.278 2.936 1.00 0.00 C ATOM 1514 NE2 HIS A 96 -8.546 -5.485 3.320 1.00 0.00 N ATOM 0 H HIS A 96 -10.019 -2.866 7.373 1.00 0.00 H new ATOM 0 HA HIS A 96 -11.918 -5.196 7.235 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -12.421 -4.750 5.101 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -11.514 -3.253 5.176 1.00 0.00 H new ATOM 0 HD1 HIS A 96 -11.586 -6.423 3.450 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -8.528 -3.842 4.771 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -9.442 -7.068 2.206 1.00 0.00 H new ATOM 1522 N THR A 97 -9.872 -6.645 7.385 1.00 0.00 N ATOM 1523 CA THR A 97 -8.618 -7.440 7.605 1.00 0.00 C ATOM 1524 C THR A 97 -8.732 -8.861 7.053 1.00 0.00 C ATOM 1525 O THR A 97 -9.803 -9.428 6.956 1.00 0.00 O ATOM 1526 CB THR A 97 -8.335 -7.511 9.106 1.00 0.00 C ATOM 1527 OG1 THR A 97 -8.079 -6.200 9.590 1.00 0.00 O ATOM 1528 CG2 THR A 97 -7.117 -8.408 9.362 1.00 0.00 C ATOM 0 H THR A 97 -10.741 -7.137 7.592 1.00 0.00 H new ATOM 0 HA THR A 97 -7.807 -6.941 7.075 1.00 0.00 H new ATOM 0 HB THR A 97 -9.197 -7.931 9.624 1.00 0.00 H new ATOM 0 HG1 THR A 97 -8.915 -5.801 9.910 1.00 0.00 H new ATOM 0 HG21 THR A 97 -6.919 -8.456 10.433 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.318 -9.411 8.985 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.247 -7.996 8.850 1.00 0.00 H new ATOM 1536 N HIS A 98 -7.611 -9.449 6.732 1.00 0.00 N ATOM 1537 CA HIS A 98 -7.604 -10.851 6.228 1.00 0.00 C ATOM 1538 C HIS A 98 -6.590 -11.682 7.021 1.00 0.00 C ATOM 1539 O HIS A 98 -5.657 -11.162 7.604 1.00 0.00 O ATOM 1540 CB HIS A 98 -7.211 -10.869 4.759 1.00 0.00 C ATOM 1541 CG HIS A 98 -6.639 -9.544 4.380 1.00 0.00 C ATOM 1542 ND1 HIS A 98 -5.334 -9.176 4.686 1.00 0.00 N ATOM 1543 CD2 HIS A 98 -7.183 -8.489 3.710 1.00 0.00 C ATOM 1544 CE1 HIS A 98 -5.143 -7.935 4.201 1.00 0.00 C ATOM 1545 NE2 HIS A 98 -6.238 -7.483 3.599 1.00 0.00 N ATOM 0 H HIS A 98 -6.691 -9.013 6.798 1.00 0.00 H new ATOM 0 HA HIS A 98 -8.602 -11.273 6.348 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -6.481 -11.658 4.577 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -8.081 -11.091 4.142 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -4.648 -9.742 5.186 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -8.192 -8.445 3.326 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -4.221 -7.380 4.290 1.00 0.00 H new ATOM 1553 N GLY A 99 -6.767 -12.972 7.040 1.00 0.00 N ATOM 1554 CA GLY A 99 -5.827 -13.846 7.789 1.00 0.00 C ATOM 1555 C GLY A 99 -4.628 -14.185 6.905 1.00 0.00 C ATOM 1556 O GLY A 99 -3.996 -15.206 7.078 1.00 0.00 O ATOM 0 H GLY A 99 -7.527 -13.460 6.566 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -5.492 -13.344 8.696 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -6.333 -14.760 8.099 1.00 0.00 H new ATOM 1560 N GLU A 100 -4.282 -13.330 5.985 1.00 0.00 N ATOM 1561 CA GLU A 100 -3.103 -13.601 5.121 1.00 0.00 C ATOM 1562 C GLU A 100 -2.433 -12.266 4.793 1.00 0.00 C ATOM 1563 O GLU A 100 -3.101 -11.304 4.469 1.00 0.00 O ATOM 1564 CB GLU A 100 -3.583 -14.270 3.833 1.00 0.00 C ATOM 1565 CG GLU A 100 -2.388 -14.566 2.932 1.00 0.00 C ATOM 1566 CD GLU A 100 -2.886 -15.170 1.620 1.00 0.00 C ATOM 1567 OE1 GLU A 100 -4.079 -15.408 1.516 1.00 0.00 O ATOM 1568 OE2 GLU A 100 -2.070 -15.382 0.740 1.00 0.00 O ATOM 0 H GLU A 100 -4.767 -12.453 5.794 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.393 -14.256 5.626 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -4.112 -15.194 4.067 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -4.289 -13.620 3.316 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.829 -13.651 2.736 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.705 -15.256 3.428 1.00 0.00 H new ATOM 1575 N ASP A 101 -1.135 -12.171 4.883 1.00 0.00 N ATOM 1576 CA ASP A 101 -0.474 -10.876 4.589 1.00 0.00 C ATOM 1577 C ASP A 101 -0.523 -10.583 3.093 1.00 0.00 C ATOM 1578 O ASP A 101 -0.071 -11.366 2.281 1.00 0.00 O ATOM 1579 CB ASP A 101 0.990 -10.980 5.011 1.00 0.00 C ATOM 1580 CG ASP A 101 1.708 -11.996 4.121 1.00 0.00 C ATOM 1581 OD1 ASP A 101 1.042 -12.880 3.614 1.00 0.00 O ATOM 1582 OD2 ASP A 101 2.914 -11.872 3.965 1.00 0.00 O ATOM 0 H ASP A 101 -0.509 -12.932 5.146 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.986 -10.079 5.128 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.472 -10.006 4.931 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.057 -11.284 6.056 1.00 0.00 H new ATOM 1587 N GLU A 102 -1.116 -9.483 2.723 1.00 0.00 N ATOM 1588 CA GLU A 102 -1.242 -9.171 1.275 1.00 0.00 C ATOM 1589 C GLU A 102 -0.221 -8.114 0.923 1.00 0.00 C ATOM 1590 O GLU A 102 0.303 -7.430 1.780 1.00 0.00 O ATOM 1591 CB GLU A 102 -2.635 -8.610 0.968 1.00 0.00 C ATOM 1592 CG GLU A 102 -2.813 -7.224 1.613 1.00 0.00 C ATOM 1593 CD GLU A 102 -4.229 -6.708 1.333 1.00 0.00 C ATOM 1594 OE1 GLU A 102 -4.898 -7.313 0.517 1.00 0.00 O ATOM 1595 OE2 GLU A 102 -4.610 -5.705 1.927 1.00 0.00 O ATOM 0 H GLU A 102 -1.516 -8.791 3.357 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.084 -10.083 0.699 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.774 -8.536 -0.111 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.399 -9.292 1.342 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.643 -7.287 2.688 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.075 -6.528 1.214 1.00 0.00 H new ATOM 1602 N VAL A 103 0.079 -7.985 -0.330 1.00 0.00 N ATOM 1603 CA VAL A 103 1.083 -6.983 -0.744 1.00 0.00 C ATOM 1604 C VAL A 103 0.425 -5.938 -1.629 1.00 0.00 C ATOM 1605 O VAL A 103 -0.352 -6.253 -2.505 1.00 0.00 O ATOM 1606 CB VAL A 103 2.198 -7.683 -1.512 1.00 0.00 C ATOM 1607 CG1 VAL A 103 3.227 -6.651 -1.959 1.00 0.00 C ATOM 1608 CG2 VAL A 103 2.873 -8.715 -0.607 1.00 0.00 C ATOM 0 H VAL A 103 -0.329 -8.532 -1.088 1.00 0.00 H new ATOM 0 HA VAL A 103 1.499 -6.492 0.136 1.00 0.00 H new ATOM 0 HB VAL A 103 1.780 -8.185 -2.384 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.026 -7.148 -2.509 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.747 -5.914 -2.603 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.645 -6.151 -1.085 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.670 -9.215 -1.157 1.00 0.00 H new ATOM 0 HG22 VAL A 103 3.293 -8.215 0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.138 -9.452 -0.284 1.00 0.00 H new ATOM 1618 N ARG A 104 0.748 -4.698 -1.412 1.00 0.00 N ATOM 1619 CA ARG A 104 0.161 -3.621 -2.248 1.00 0.00 C ATOM 1620 C ARG A 104 1.268 -2.925 -3.036 1.00 0.00 C ATOM 1621 O ARG A 104 2.226 -2.442 -2.469 1.00 0.00 O ATOM 1622 CB ARG A 104 -0.553 -2.602 -1.378 1.00 0.00 C ATOM 1623 CG ARG A 104 -1.556 -3.327 -0.489 1.00 0.00 C ATOM 1624 CD ARG A 104 -2.311 -2.314 0.367 1.00 0.00 C ATOM 1625 NE ARG A 104 -3.118 -3.040 1.388 1.00 0.00 N ATOM 1626 CZ ARG A 104 -2.524 -3.678 2.360 1.00 0.00 C ATOM 1627 NH1 ARG A 104 -1.222 -3.673 2.451 1.00 0.00 N ATOM 1628 NH2 ARG A 104 -3.234 -4.311 3.254 1.00 0.00 N ATOM 0 H ARG A 104 1.395 -4.383 -0.689 1.00 0.00 H new ATOM 0 HA ARG A 104 -0.559 -4.066 -2.935 1.00 0.00 H new ATOM 0 HB2 ARG A 104 0.167 -2.058 -0.767 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -1.063 -1.867 -2.000 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -2.257 -3.894 -1.102 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -1.039 -4.044 0.149 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -1.609 -1.637 0.855 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -2.960 -1.703 -0.260 1.00 0.00 H new ATOM 0 HE ARG A 104 -4.136 -3.038 1.327 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -0.664 -3.169 1.761 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -0.762 -4.173 3.212 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -4.252 -4.307 3.193 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -2.771 -4.810 4.014 1.00 0.00 H new ATOM 1642 N PHE A 105 1.146 -2.863 -4.336 1.00 0.00 N ATOM 1643 CA PHE A 105 2.200 -2.189 -5.146 1.00 0.00 C ATOM 1644 C PHE A 105 1.580 -1.037 -5.921 1.00 0.00 C ATOM 1645 O PHE A 105 0.686 -1.229 -6.712 1.00 0.00 O ATOM 1646 CB PHE A 105 2.805 -3.184 -6.144 1.00 0.00 C ATOM 1647 CG PHE A 105 3.824 -2.499 -7.038 1.00 0.00 C ATOM 1648 CD1 PHE A 105 4.703 -1.513 -6.543 1.00 0.00 C ATOM 1649 CD2 PHE A 105 3.875 -2.854 -8.387 1.00 0.00 C ATOM 1650 CE1 PHE A 105 5.616 -0.897 -7.405 1.00 0.00 C ATOM 1651 CE2 PHE A 105 4.786 -2.236 -9.245 1.00 0.00 C ATOM 1652 CZ PHE A 105 5.656 -1.256 -8.757 1.00 0.00 C ATOM 0 H PHE A 105 0.366 -3.248 -4.869 1.00 0.00 H new ATOM 0 HA PHE A 105 2.978 -1.818 -4.479 1.00 0.00 H new ATOM 0 HB2 PHE A 105 3.280 -4.003 -5.605 1.00 0.00 H new ATOM 0 HB3 PHE A 105 2.014 -3.620 -6.754 1.00 0.00 H new ATOM 0 HD1 PHE A 105 4.671 -1.234 -5.500 1.00 0.00 H new ATOM 0 HD2 PHE A 105 3.206 -3.611 -8.769 1.00 0.00 H new ATOM 0 HE1 PHE A 105 6.291 -0.143 -7.027 1.00 0.00 H new ATOM 0 HE2 PHE A 105 4.819 -2.515 -10.288 1.00 0.00 H new ATOM 0 HZ PHE A 105 6.358 -0.777 -9.423 1.00 0.00 H new ATOM 1662 N PHE A 106 2.016 0.164 -5.706 1.00 0.00 N ATOM 1663 CA PHE A 106 1.392 1.279 -6.453 1.00 0.00 C ATOM 1664 C PHE A 106 2.215 1.561 -7.705 1.00 0.00 C ATOM 1665 O PHE A 106 3.392 1.801 -7.618 1.00 0.00 O ATOM 1666 CB PHE A 106 1.412 2.531 -5.565 1.00 0.00 C ATOM 1667 CG PHE A 106 0.713 2.223 -4.263 1.00 0.00 C ATOM 1668 CD1 PHE A 106 -0.670 2.414 -4.128 1.00 0.00 C ATOM 1669 CD2 PHE A 106 1.459 1.727 -3.188 1.00 0.00 C ATOM 1670 CE1 PHE A 106 -1.303 2.104 -2.915 1.00 0.00 C ATOM 1671 CE2 PHE A 106 0.827 1.421 -1.977 1.00 0.00 C ATOM 1672 CZ PHE A 106 -0.554 1.608 -1.841 1.00 0.00 C ATOM 0 H PHE A 106 2.762 0.420 -5.059 1.00 0.00 H new ATOM 0 HA PHE A 106 0.370 1.020 -6.728 1.00 0.00 H new ATOM 0 HB2 PHE A 106 2.440 2.842 -5.376 1.00 0.00 H new ATOM 0 HB3 PHE A 106 0.916 3.359 -6.071 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -1.246 2.799 -4.956 1.00 0.00 H new ATOM 0 HD2 PHE A 106 2.524 1.580 -3.293 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -2.368 2.248 -2.810 1.00 0.00 H new ATOM 0 HE2 PHE A 106 1.405 1.041 -1.148 1.00 0.00 H new ATOM 0 HZ PHE A 106 -1.042 1.370 -0.907 1.00 0.00 H new ATOM 1682 N VAL A 107 1.651 1.479 -8.879 1.00 0.00 N ATOM 1683 CA VAL A 107 2.472 1.747 -10.090 1.00 0.00 C ATOM 1684 C VAL A 107 2.094 3.127 -10.620 1.00 0.00 C ATOM 1685 O VAL A 107 2.843 3.751 -11.343 1.00 0.00 O ATOM 1686 CB VAL A 107 2.177 0.706 -11.167 1.00 0.00 C ATOM 1687 CG1 VAL A 107 2.671 -0.662 -10.707 1.00 0.00 C ATOM 1688 CG2 VAL A 107 0.669 0.643 -11.413 1.00 0.00 C ATOM 0 H VAL A 107 0.674 1.242 -9.050 1.00 0.00 H new ATOM 0 HA VAL A 107 3.531 1.702 -9.835 1.00 0.00 H new ATOM 0 HB VAL A 107 2.688 0.985 -12.089 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.459 -1.403 -11.478 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.746 -0.620 -10.529 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.162 -0.942 -9.785 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.456 -0.100 -12.182 1.00 0.00 H new ATOM 0 HG22 VAL A 107 0.161 0.365 -10.490 1.00 0.00 H new ATOM 0 HG23 VAL A 107 0.313 1.619 -11.743 1.00 0.00 H new ATOM 1698 N GLU A 108 0.928 3.608 -10.267 1.00 0.00 N ATOM 1699 CA GLU A 108 0.503 4.946 -10.749 1.00 0.00 C ATOM 1700 C GLU A 108 -0.329 5.652 -9.672 1.00 0.00 C ATOM 1701 O GLU A 108 -1.395 5.201 -9.300 1.00 0.00 O ATOM 1702 CB GLU A 108 -0.330 4.782 -12.027 1.00 0.00 C ATOM 1703 CG GLU A 108 0.524 4.129 -13.122 1.00 0.00 C ATOM 1704 CD GLU A 108 1.743 5.005 -13.414 1.00 0.00 C ATOM 1705 OE1 GLU A 108 1.672 6.193 -13.149 1.00 0.00 O ATOM 1706 OE2 GLU A 108 2.726 4.473 -13.904 1.00 0.00 O ATOM 0 H GLU A 108 0.257 3.129 -9.667 1.00 0.00 H new ATOM 0 HA GLU A 108 1.385 5.550 -10.963 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.208 4.169 -11.824 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -0.690 5.754 -12.365 1.00 0.00 H new ATOM 0 HG2 GLU A 108 0.845 3.137 -12.804 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -0.067 3.998 -14.028 1.00 0.00 H new ATOM 1713 N GLY A 109 0.142 6.768 -9.190 1.00 0.00 N ATOM 1714 CA GLY A 109 -0.620 7.520 -8.160 1.00 0.00 C ATOM 1715 C GLY A 109 -0.080 7.215 -6.763 1.00 0.00 C ATOM 1716 O GLY A 109 0.717 6.318 -6.568 1.00 0.00 O ATOM 0 H GLY A 109 1.027 7.192 -9.468 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -0.551 8.590 -8.357 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.676 7.254 -8.214 1.00 0.00 H new ATOM 1720 N ALA A 110 -0.515 7.973 -5.794 1.00 0.00 N ATOM 1721 CA ALA A 110 -0.040 7.765 -4.395 1.00 0.00 C ATOM 1722 C ALA A 110 -1.235 7.716 -3.433 1.00 0.00 C ATOM 1723 O ALA A 110 -2.252 8.344 -3.650 1.00 0.00 O ATOM 1724 CB ALA A 110 0.874 8.931 -3.993 1.00 0.00 C ATOM 0 H ALA A 110 -1.184 8.734 -5.912 1.00 0.00 H new ATOM 0 HA ALA A 110 0.505 6.823 -4.342 1.00 0.00 H new ATOM 0 HB1 ALA A 110 1.224 8.784 -2.971 1.00 0.00 H new ATOM 0 HB2 ALA A 110 1.730 8.972 -4.667 1.00 0.00 H new ATOM 0 HB3 ALA A 110 0.319 9.867 -4.055 1.00 0.00 H new ATOM 1730 N GLY A 111 -1.104 6.974 -2.364 1.00 0.00 N ATOM 1731 CA GLY A 111 -2.212 6.872 -1.369 1.00 0.00 C ATOM 1732 C GLY A 111 -1.626 6.846 0.047 1.00 0.00 C ATOM 1733 O GLY A 111 -0.538 6.356 0.267 1.00 0.00 O ATOM 0 H GLY A 111 -0.271 6.431 -2.137 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -2.892 7.717 -1.477 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.795 5.969 -1.549 1.00 0.00 H new ATOM 1737 N LEU A 112 -2.341 7.356 1.014 1.00 0.00 N ATOM 1738 CA LEU A 112 -1.811 7.336 2.409 1.00 0.00 C ATOM 1739 C LEU A 112 -2.211 6.013 3.056 1.00 0.00 C ATOM 1740 O LEU A 112 -3.378 5.753 3.282 1.00 0.00 O ATOM 1741 CB LEU A 112 -2.420 8.490 3.212 1.00 0.00 C ATOM 1742 CG LEU A 112 -1.349 9.153 4.087 1.00 0.00 C ATOM 1743 CD1 LEU A 112 -0.670 8.102 4.978 1.00 0.00 C ATOM 1744 CD2 LEU A 112 -0.305 9.820 3.189 1.00 0.00 C ATOM 0 H LEU A 112 -3.261 7.782 0.901 1.00 0.00 H new ATOM 0 HA LEU A 112 -0.726 7.443 2.395 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.852 9.226 2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -3.231 8.118 3.838 1.00 0.00 H new ATOM 0 HG LEU A 112 -1.819 9.903 4.723 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.089 8.583 5.595 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -1.416 7.633 5.620 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.201 7.343 4.352 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.458 10.293 3.807 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.159 9.068 2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.788 10.575 2.568 1.00 0.00 H new ATOM 1756 N PHE A 113 -1.263 5.168 3.341 1.00 0.00 N ATOM 1757 CA PHE A 113 -1.608 3.861 3.955 1.00 0.00 C ATOM 1758 C PHE A 113 -1.280 3.907 5.446 1.00 0.00 C ATOM 1759 O PHE A 113 -0.137 4.040 5.838 1.00 0.00 O ATOM 1760 CB PHE A 113 -0.784 2.767 3.281 1.00 0.00 C ATOM 1761 CG PHE A 113 -1.413 1.428 3.538 1.00 0.00 C ATOM 1762 CD1 PHE A 113 -1.056 0.699 4.673 1.00 0.00 C ATOM 1763 CD2 PHE A 113 -2.343 0.909 2.628 1.00 0.00 C ATOM 1764 CE1 PHE A 113 -1.632 -0.550 4.906 1.00 0.00 C ATOM 1765 CE2 PHE A 113 -2.914 -0.345 2.859 1.00 0.00 C ATOM 1766 CZ PHE A 113 -2.557 -1.074 4.001 1.00 0.00 C ATOM 0 H PHE A 113 -0.269 5.325 3.176 1.00 0.00 H new ATOM 0 HA PHE A 113 -2.670 3.653 3.825 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -0.725 2.952 2.208 1.00 0.00 H new ATOM 0 HB3 PHE A 113 0.237 2.779 3.663 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -0.335 1.101 5.370 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -2.618 1.476 1.751 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.362 -1.112 5.788 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -3.629 -0.751 2.159 1.00 0.00 H new ATOM 0 HZ PHE A 113 -2.998 -2.043 4.182 1.00 0.00 H new ATOM 1776 N CYS A 114 -2.281 3.803 6.278 1.00 0.00 N ATOM 1777 CA CYS A 114 -2.046 3.843 7.750 1.00 0.00 C ATOM 1778 C CYS A 114 -2.535 2.539 8.380 1.00 0.00 C ATOM 1779 O CYS A 114 -3.536 1.980 7.976 1.00 0.00 O ATOM 1780 CB CYS A 114 -2.810 5.024 8.353 1.00 0.00 C ATOM 1781 SG CYS A 114 -3.699 5.900 7.044 1.00 0.00 S ATOM 0 H CYS A 114 -3.256 3.692 6.000 1.00 0.00 H new ATOM 0 HA CYS A 114 -0.981 3.961 7.947 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -3.511 4.669 9.109 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -2.118 5.701 8.853 1.00 0.00 H new ATOM 0 HG CYS A 114 -4.873 5.365 6.884 1.00 0.00 H new ATOM 1787 N LEU A 115 -1.837 2.045 9.365 1.00 0.00 N ATOM 1788 CA LEU A 115 -2.264 0.776 10.015 1.00 0.00 C ATOM 1789 C LEU A 115 -2.081 0.894 11.528 1.00 0.00 C ATOM 1790 O LEU A 115 -1.281 1.674 12.007 1.00 0.00 O ATOM 1791 CB LEU A 115 -1.410 -0.380 9.489 1.00 0.00 C ATOM 1792 CG LEU A 115 -0.400 0.156 8.471 1.00 0.00 C ATOM 1793 CD1 LEU A 115 0.589 1.085 9.176 1.00 0.00 C ATOM 1794 CD2 LEU A 115 0.365 -1.009 7.846 1.00 0.00 C ATOM 0 H LEU A 115 -0.990 2.466 9.747 1.00 0.00 H new ATOM 0 HA LEU A 115 -3.313 0.586 9.787 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.889 -0.866 10.314 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -2.045 -1.134 9.025 1.00 0.00 H new ATOM 0 HG LEU A 115 -0.930 0.705 7.692 1.00 0.00 H new ATOM 0 HD11 LEU A 115 1.309 1.467 8.452 1.00 0.00 H new ATOM 0 HD12 LEU A 115 0.049 1.918 9.625 1.00 0.00 H new ATOM 0 HD13 LEU A 115 1.116 0.533 9.954 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.084 -0.626 7.122 1.00 0.00 H new ATOM 0 HD22 LEU A 115 0.893 -1.557 8.626 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -0.335 -1.677 7.344 1.00 0.00 H new ATOM 1806 N HIS A 116 -2.813 0.125 12.285 1.00 0.00 N ATOM 1807 CA HIS A 116 -2.676 0.192 13.767 1.00 0.00 C ATOM 1808 C HIS A 116 -1.838 -0.994 14.252 1.00 0.00 C ATOM 1809 O HIS A 116 -2.256 -2.132 14.163 1.00 0.00 O ATOM 1810 CB HIS A 116 -4.064 0.126 14.407 1.00 0.00 C ATOM 1811 CG HIS A 116 -4.044 0.872 15.714 1.00 0.00 C ATOM 1812 ND1 HIS A 116 -3.375 0.390 16.832 1.00 0.00 N ATOM 1813 CD2 HIS A 116 -4.599 2.068 16.097 1.00 0.00 C ATOM 1814 CE1 HIS A 116 -3.543 1.285 17.823 1.00 0.00 C ATOM 1815 NE2 HIS A 116 -4.281 2.324 17.427 1.00 0.00 N ATOM 0 H HIS A 116 -3.500 -0.547 11.942 1.00 0.00 H new ATOM 0 HA HIS A 116 -2.187 1.125 14.048 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -4.807 0.561 13.738 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -4.352 -0.912 14.572 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -5.191 2.711 15.463 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -3.132 1.176 18.816 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -4.554 3.135 17.982 1.00 0.00 H new ATOM 1824 N ILE A 117 -0.662 -0.739 14.766 1.00 0.00 N ATOM 1825 CA ILE A 117 0.196 -1.856 15.259 1.00 0.00 C ATOM 1826 C ILE A 117 0.587 -1.611 16.723 1.00 0.00 C ATOM 1827 O ILE A 117 1.416 -0.775 17.020 1.00 0.00 O ATOM 1828 CB ILE A 117 1.463 -1.928 14.409 1.00 0.00 C ATOM 1829 CG1 ILE A 117 1.079 -2.123 12.942 1.00 0.00 C ATOM 1830 CG2 ILE A 117 2.318 -3.108 14.877 1.00 0.00 C ATOM 1831 CD1 ILE A 117 2.325 -2.010 12.060 1.00 0.00 C ATOM 0 H ILE A 117 -0.260 0.193 14.865 1.00 0.00 H new ATOM 0 HA ILE A 117 -0.358 -2.792 15.186 1.00 0.00 H new ATOM 0 HB ILE A 117 2.030 -1.003 14.515 1.00 0.00 H new ATOM 0 HG12 ILE A 117 0.613 -3.099 12.805 1.00 0.00 H new ATOM 0 HG13 ILE A 117 0.344 -1.374 12.646 1.00 0.00 H new ATOM 0 HG21 ILE A 117 3.224 -3.163 14.273 1.00 0.00 H new ATOM 0 HG22 ILE A 117 2.588 -2.969 15.924 1.00 0.00 H new ATOM 0 HG23 ILE A 117 1.752 -4.033 14.768 1.00 0.00 H new ATOM 0 HD11 ILE A 117 2.045 -2.150 11.016 1.00 0.00 H new ATOM 0 HD12 ILE A 117 2.773 -1.024 12.187 1.00 0.00 H new ATOM 0 HD13 ILE A 117 3.045 -2.775 12.348 1.00 0.00 H new ATOM 1843 N GLY A 118 -0.006 -2.334 17.633 1.00 0.00 N ATOM 1844 CA GLY A 118 0.326 -2.150 19.080 1.00 0.00 C ATOM 1845 C GLY A 118 -0.065 -0.734 19.524 1.00 0.00 C ATOM 1846 O GLY A 118 -1.092 -0.218 19.134 1.00 0.00 O ATOM 0 H GLY A 118 -0.709 -3.047 17.439 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -0.203 -2.889 19.681 1.00 0.00 H new ATOM 0 HA3 GLY A 118 1.392 -2.311 19.242 1.00 0.00 H new ATOM 1850 N ASP A 119 0.746 -0.099 20.336 1.00 0.00 N ATOM 1851 CA ASP A 119 0.418 1.282 20.802 1.00 0.00 C ATOM 1852 C ASP A 119 1.158 2.306 19.939 1.00 0.00 C ATOM 1853 O ASP A 119 1.256 3.467 20.280 1.00 0.00 O ATOM 1854 CB ASP A 119 0.849 1.445 22.258 1.00 0.00 C ATOM 1855 CG ASP A 119 2.291 0.960 22.419 1.00 0.00 C ATOM 1856 OD1 ASP A 119 2.688 0.081 21.670 1.00 0.00 O ATOM 1857 OD2 ASP A 119 2.977 1.475 23.286 1.00 0.00 O ATOM 0 H ASP A 119 1.621 -0.479 20.696 1.00 0.00 H new ATOM 0 HA ASP A 119 -0.657 1.444 20.718 1.00 0.00 H new ATOM 0 HB2 ASP A 119 0.770 2.490 22.557 1.00 0.00 H new ATOM 0 HB3 ASP A 119 0.187 0.875 22.911 1.00 0.00 H new ATOM 1862 N GLU A 120 1.677 1.886 18.820 1.00 0.00 N ATOM 1863 CA GLU A 120 2.396 2.840 17.928 1.00 0.00 C ATOM 1864 C GLU A 120 1.674 2.873 16.587 1.00 0.00 C ATOM 1865 O GLU A 120 1.093 1.889 16.176 1.00 0.00 O ATOM 1866 CB GLU A 120 3.843 2.383 17.724 1.00 0.00 C ATOM 1867 CG GLU A 120 3.874 0.933 17.242 1.00 0.00 C ATOM 1868 CD GLU A 120 3.528 -0.003 18.402 1.00 0.00 C ATOM 1869 OE1 GLU A 120 3.449 0.478 19.521 1.00 0.00 O ATOM 1870 OE2 GLU A 120 3.353 -1.185 18.155 1.00 0.00 O ATOM 0 H GLU A 120 1.635 0.924 18.484 1.00 0.00 H new ATOM 0 HA GLU A 120 2.408 3.833 18.378 1.00 0.00 H new ATOM 0 HB2 GLU A 120 4.336 3.027 16.996 1.00 0.00 H new ATOM 0 HB3 GLU A 120 4.397 2.476 18.658 1.00 0.00 H new ATOM 0 HG2 GLU A 120 3.164 0.795 16.427 1.00 0.00 H new ATOM 0 HG3 GLU A 120 4.861 0.691 16.849 1.00 0.00 H new ATOM 1877 N VAL A 121 1.684 3.986 15.905 1.00 0.00 N ATOM 1878 CA VAL A 121 0.976 4.063 14.597 1.00 0.00 C ATOM 1879 C VAL A 121 1.986 4.422 13.508 1.00 0.00 C ATOM 1880 O VAL A 121 2.751 5.354 13.649 1.00 0.00 O ATOM 1881 CB VAL A 121 -0.115 5.152 14.698 1.00 0.00 C ATOM 1882 CG1 VAL A 121 0.286 6.420 13.935 1.00 0.00 C ATOM 1883 CG2 VAL A 121 -1.425 4.615 14.122 1.00 0.00 C ATOM 0 H VAL A 121 2.152 4.844 16.197 1.00 0.00 H new ATOM 0 HA VAL A 121 0.513 3.108 14.349 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.239 5.409 15.750 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -0.504 7.165 14.027 1.00 0.00 H new ATOM 0 HG12 VAL A 121 1.211 6.818 14.352 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.437 6.179 12.883 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -2.195 5.383 14.193 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -1.279 4.343 13.077 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -1.737 3.735 14.685 1.00 0.00 H new ATOM 1893 N PHE A 122 2.031 3.684 12.436 1.00 0.00 N ATOM 1894 CA PHE A 122 3.014 3.999 11.369 1.00 0.00 C ATOM 1895 C PHE A 122 2.351 4.920 10.346 1.00 0.00 C ATOM 1896 O PHE A 122 1.269 4.650 9.865 1.00 0.00 O ATOM 1897 CB PHE A 122 3.442 2.703 10.683 1.00 0.00 C ATOM 1898 CG PHE A 122 4.549 2.044 11.471 1.00 0.00 C ATOM 1899 CD1 PHE A 122 4.408 1.822 12.849 1.00 0.00 C ATOM 1900 CD2 PHE A 122 5.722 1.660 10.818 1.00 0.00 C ATOM 1901 CE1 PHE A 122 5.446 1.214 13.568 1.00 0.00 C ATOM 1902 CE2 PHE A 122 6.757 1.053 11.534 1.00 0.00 C ATOM 1903 CZ PHE A 122 6.621 0.829 12.909 1.00 0.00 C ATOM 0 H PHE A 122 1.431 2.879 12.254 1.00 0.00 H new ATOM 0 HA PHE A 122 3.888 4.489 11.797 1.00 0.00 H new ATOM 0 HB2 PHE A 122 2.591 2.027 10.600 1.00 0.00 H new ATOM 0 HB3 PHE A 122 3.782 2.913 9.669 1.00 0.00 H new ATOM 0 HD1 PHE A 122 3.501 2.119 13.355 1.00 0.00 H new ATOM 0 HD2 PHE A 122 5.829 1.833 9.757 1.00 0.00 H new ATOM 0 HE1 PHE A 122 5.340 1.042 14.629 1.00 0.00 H new ATOM 0 HE2 PHE A 122 7.663 0.756 11.026 1.00 0.00 H new ATOM 0 HZ PHE A 122 7.421 0.360 13.462 1.00 0.00 H new ATOM 1913 N GLN A 123 3.019 5.976 9.969 1.00 0.00 N ATOM 1914 CA GLN A 123 2.452 6.900 8.937 1.00 0.00 C ATOM 1915 C GLN A 123 3.447 7.012 7.774 1.00 0.00 C ATOM 1916 O GLN A 123 4.484 7.634 7.895 1.00 0.00 O ATOM 1917 CB GLN A 123 2.204 8.279 9.544 1.00 0.00 C ATOM 1918 CG GLN A 123 1.247 9.066 8.655 1.00 0.00 C ATOM 1919 CD GLN A 123 1.069 10.466 9.240 1.00 0.00 C ATOM 1920 OE1 GLN A 123 2.017 11.223 9.334 1.00 0.00 O ATOM 1921 NE2 GLN A 123 -0.110 10.842 9.650 1.00 0.00 N ATOM 0 H GLN A 123 3.935 6.242 10.330 1.00 0.00 H new ATOM 0 HA GLN A 123 1.502 6.506 8.575 1.00 0.00 H new ATOM 0 HB2 GLN A 123 1.785 8.177 10.545 1.00 0.00 H new ATOM 0 HB3 GLN A 123 3.146 8.817 9.646 1.00 0.00 H new ATOM 0 HG2 GLN A 123 1.640 9.128 7.640 1.00 0.00 H new ATOM 0 HG3 GLN A 123 0.285 8.558 8.594 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -0.904 10.207 9.571 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -0.238 11.771 10.050 1.00 0.00 H new ATOM 1930 N VAL A 124 3.144 6.411 6.653 1.00 0.00 N ATOM 1931 CA VAL A 124 4.077 6.483 5.492 1.00 0.00 C ATOM 1932 C VAL A 124 3.332 6.838 4.207 1.00 0.00 C ATOM 1933 O VAL A 124 2.239 6.370 3.954 1.00 0.00 O ATOM 1934 CB VAL A 124 4.767 5.131 5.315 1.00 0.00 C ATOM 1935 CG1 VAL A 124 3.713 4.029 5.307 1.00 0.00 C ATOM 1936 CG2 VAL A 124 5.533 5.098 3.983 1.00 0.00 C ATOM 0 H VAL A 124 2.292 5.874 6.492 1.00 0.00 H new ATOM 0 HA VAL A 124 4.813 7.262 5.691 1.00 0.00 H new ATOM 0 HB VAL A 124 5.467 4.978 6.136 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.199 3.062 5.181 1.00 0.00 H new ATOM 0 HG12 VAL A 124 3.167 4.041 6.250 1.00 0.00 H new ATOM 0 HG13 VAL A 124 3.018 4.196 4.484 1.00 0.00 H new ATOM 0 HG21 VAL A 124 6.021 4.130 3.868 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.837 5.254 3.159 1.00 0.00 H new ATOM 0 HG23 VAL A 124 6.286 5.886 3.976 1.00 0.00 H new ATOM 1946 N LEU A 125 3.923 7.662 3.390 1.00 0.00 N ATOM 1947 CA LEU A 125 3.260 8.048 2.119 1.00 0.00 C ATOM 1948 C LEU A 125 3.522 6.945 1.100 1.00 0.00 C ATOM 1949 O LEU A 125 4.578 6.336 1.078 1.00 0.00 O ATOM 1950 CB LEU A 125 3.835 9.375 1.605 1.00 0.00 C ATOM 1951 CG LEU A 125 3.319 10.535 2.460 1.00 0.00 C ATOM 1952 CD1 LEU A 125 3.657 10.282 3.930 1.00 0.00 C ATOM 1953 CD2 LEU A 125 3.979 11.839 2.004 1.00 0.00 C ATOM 0 H LEU A 125 4.838 8.085 3.549 1.00 0.00 H new ATOM 0 HA LEU A 125 2.189 8.176 2.278 1.00 0.00 H new ATOM 0 HB2 LEU A 125 4.924 9.345 1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 125 3.550 9.525 0.564 1.00 0.00 H new ATOM 0 HG LEU A 125 2.238 10.613 2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 125 3.288 11.110 4.536 1.00 0.00 H new ATOM 0 HD12 LEU A 125 3.186 9.355 4.257 1.00 0.00 H new ATOM 0 HD13 LEU A 125 4.738 10.201 4.046 1.00 0.00 H new ATOM 0 HD21 LEU A 125 3.612 12.665 2.613 1.00 0.00 H new ATOM 0 HD22 LEU A 125 5.060 11.758 2.116 1.00 0.00 H new ATOM 0 HD23 LEU A 125 3.736 12.023 0.958 1.00 0.00 H new ATOM 1965 N CYS A 126 2.558 6.675 0.267 1.00 0.00 N ATOM 1966 CA CYS A 126 2.722 5.596 -0.746 1.00 0.00 C ATOM 1967 C CYS A 126 2.831 6.206 -2.134 1.00 0.00 C ATOM 1968 O CYS A 126 1.949 6.908 -2.579 1.00 0.00 O ATOM 1969 CB CYS A 126 1.508 4.670 -0.695 1.00 0.00 C ATOM 1970 SG CYS A 126 1.051 4.386 1.032 1.00 0.00 S ATOM 0 H CYS A 126 1.659 7.157 0.244 1.00 0.00 H new ATOM 0 HA CYS A 126 3.628 5.031 -0.529 1.00 0.00 H new ATOM 0 HB2 CYS A 126 0.673 5.115 -1.236 1.00 0.00 H new ATOM 0 HB3 CYS A 126 1.737 3.723 -1.184 1.00 0.00 H new ATOM 0 HG CYS A 126 0.107 5.212 1.373 1.00 0.00 H new ATOM 1976 N GLU A 127 3.907 5.950 -2.819 1.00 0.00 N ATOM 1977 CA GLU A 127 4.070 6.518 -4.182 1.00 0.00 C ATOM 1978 C GLU A 127 4.397 5.396 -5.152 1.00 0.00 C ATOM 1979 O GLU A 127 4.967 4.390 -4.781 1.00 0.00 O ATOM 1980 CB GLU A 127 5.214 7.525 -4.180 1.00 0.00 C ATOM 1981 CG GLU A 127 4.952 8.589 -3.115 1.00 0.00 C ATOM 1982 CD GLU A 127 6.035 9.666 -3.191 1.00 0.00 C ATOM 1983 OE1 GLU A 127 6.997 9.462 -3.914 1.00 0.00 O ATOM 1984 OE2 GLU A 127 5.882 10.678 -2.527 1.00 0.00 O ATOM 0 H GLU A 127 4.681 5.371 -2.493 1.00 0.00 H new ATOM 0 HA GLU A 127 3.148 7.014 -4.484 1.00 0.00 H new ATOM 0 HB2 GLU A 127 6.158 7.019 -3.979 1.00 0.00 H new ATOM 0 HB3 GLU A 127 5.304 7.991 -5.161 1.00 0.00 H new ATOM 0 HG2 GLU A 127 3.969 9.036 -3.266 1.00 0.00 H new ATOM 0 HG3 GLU A 127 4.946 8.134 -2.125 1.00 0.00 H new ATOM 1991 N LYS A 128 4.021 5.537 -6.389 1.00 0.00 N ATOM 1992 CA LYS A 128 4.300 4.457 -7.364 1.00 0.00 C ATOM 1993 C LYS A 128 5.809 4.218 -7.477 1.00 0.00 C ATOM 1994 O LYS A 128 6.283 3.563 -8.383 1.00 0.00 O ATOM 1995 CB LYS A 128 3.743 4.844 -8.733 1.00 0.00 C ATOM 1996 CG LYS A 128 4.121 6.297 -9.033 1.00 0.00 C ATOM 1997 CD LYS A 128 4.347 6.482 -10.537 1.00 0.00 C ATOM 1998 CE LYS A 128 5.777 6.070 -10.899 1.00 0.00 C ATOM 1999 NZ LYS A 128 6.050 6.419 -12.322 1.00 0.00 N ATOM 0 H LYS A 128 3.534 6.351 -6.764 1.00 0.00 H new ATOM 0 HA LYS A 128 3.821 3.541 -7.018 1.00 0.00 H new ATOM 0 HB2 LYS A 128 4.144 4.184 -9.503 1.00 0.00 H new ATOM 0 HB3 LYS A 128 2.659 4.727 -8.745 1.00 0.00 H new ATOM 0 HG2 LYS A 128 3.330 6.965 -8.691 1.00 0.00 H new ATOM 0 HG3 LYS A 128 5.024 6.566 -8.486 1.00 0.00 H new ATOM 0 HD2 LYS A 128 3.632 5.881 -11.099 1.00 0.00 H new ATOM 0 HD3 LYS A 128 4.177 7.522 -10.815 1.00 0.00 H new ATOM 0 HE2 LYS A 128 6.489 6.576 -10.246 1.00 0.00 H new ATOM 0 HE3 LYS A 128 5.908 4.999 -10.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 7.021 6.139 -12.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 5.379 5.917 -12.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 5.941 7.445 -12.455 1.00 0.00 H new ATOM 2013 N ASN A 129 6.550 4.747 -6.553 1.00 0.00 N ATOM 2014 CA ASN A 129 8.024 4.571 -6.562 1.00 0.00 C ATOM 2015 C ASN A 129 8.448 3.208 -6.024 1.00 0.00 C ATOM 2016 O ASN A 129 9.142 2.459 -6.684 1.00 0.00 O ATOM 2017 CB ASN A 129 8.659 5.644 -5.703 1.00 0.00 C ATOM 2018 CG ASN A 129 9.951 6.113 -6.367 1.00 0.00 C ATOM 2019 OD1 ASN A 129 10.975 6.209 -5.724 1.00 0.00 O ATOM 2020 ND2 ASN A 129 9.948 6.401 -7.642 1.00 0.00 N ATOM 0 H ASN A 129 6.191 5.304 -5.777 1.00 0.00 H new ATOM 0 HA ASN A 129 8.355 4.645 -7.598 1.00 0.00 H new ATOM 0 HB2 ASN A 129 7.973 6.482 -5.580 1.00 0.00 H new ATOM 0 HB3 ASN A 129 8.868 5.254 -4.707 1.00 0.00 H new ATOM 0 HD21 ASN A 129 10.808 6.707 -8.098 1.00 0.00 H new ATOM 0 HD22 ASN A 129 9.086 6.320 -8.181 1.00 0.00 H new ATOM 2027 N ASP A 130 8.079 2.910 -4.808 1.00 0.00 N ATOM 2028 CA ASP A 130 8.507 1.621 -4.194 1.00 0.00 C ATOM 2029 C ASP A 130 7.317 0.682 -3.979 1.00 0.00 C ATOM 2030 O ASP A 130 6.366 0.655 -4.745 1.00 0.00 O ATOM 2031 CB ASP A 130 9.210 1.898 -2.856 1.00 0.00 C ATOM 2032 CG ASP A 130 10.266 2.990 -3.052 1.00 0.00 C ATOM 2033 OD1 ASP A 130 10.327 3.539 -4.138 1.00 0.00 O ATOM 2034 OD2 ASP A 130 10.996 3.262 -2.109 1.00 0.00 O ATOM 0 H ASP A 130 7.500 3.503 -4.214 1.00 0.00 H new ATOM 0 HA ASP A 130 9.199 1.129 -4.877 1.00 0.00 H new ATOM 0 HB2 ASP A 130 8.482 2.211 -2.108 1.00 0.00 H new ATOM 0 HB3 ASP A 130 9.678 0.987 -2.483 1.00 0.00 H new ATOM 2039 N LEU A 131 7.391 -0.112 -2.947 1.00 0.00 N ATOM 2040 CA LEU A 131 6.310 -1.091 -2.656 1.00 0.00 C ATOM 2041 C LEU A 131 6.111 -1.240 -1.146 1.00 0.00 C ATOM 2042 O LEU A 131 7.030 -1.084 -0.368 1.00 0.00 O ATOM 2043 CB LEU A 131 6.676 -2.426 -3.289 1.00 0.00 C ATOM 2044 CG LEU A 131 5.670 -3.494 -2.846 1.00 0.00 C ATOM 2045 CD1 LEU A 131 5.324 -4.438 -3.992 1.00 0.00 C ATOM 2046 CD2 LEU A 131 6.266 -4.329 -1.722 1.00 0.00 C ATOM 0 H LEU A 131 8.166 -0.123 -2.284 1.00 0.00 H new ATOM 0 HA LEU A 131 5.370 -0.736 -3.077 1.00 0.00 H new ATOM 0 HB2 LEU A 131 6.675 -2.338 -4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 131 7.684 -2.716 -2.994 1.00 0.00 H new ATOM 0 HG LEU A 131 4.769 -2.977 -2.515 1.00 0.00 H new ATOM 0 HD11 LEU A 131 4.608 -5.184 -3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 131 4.887 -3.869 -4.813 1.00 0.00 H new ATOM 0 HD13 LEU A 131 6.229 -4.937 -4.338 1.00 0.00 H new ATOM 0 HD21 LEU A 131 5.547 -5.087 -1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 131 7.176 -4.815 -2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 131 6.503 -3.684 -0.876 1.00 0.00 H new ATOM 2058 N ILE A 132 4.922 -1.579 -0.730 1.00 0.00 N ATOM 2059 CA ILE A 132 4.668 -1.778 0.722 1.00 0.00 C ATOM 2060 C ILE A 132 3.778 -3.011 0.934 1.00 0.00 C ATOM 2061 O ILE A 132 2.838 -3.234 0.205 1.00 0.00 O ATOM 2062 CB ILE A 132 3.962 -0.548 1.269 1.00 0.00 C ATOM 2063 CG1 ILE A 132 4.119 -0.504 2.785 1.00 0.00 C ATOM 2064 CG2 ILE A 132 2.477 -0.629 0.921 1.00 0.00 C ATOM 2065 CD1 ILE A 132 3.650 0.850 3.292 1.00 0.00 C ATOM 0 H ILE A 132 4.115 -1.727 -1.335 1.00 0.00 H new ATOM 0 HA ILE A 132 5.615 -1.930 1.240 1.00 0.00 H new ATOM 0 HB ILE A 132 4.398 0.350 0.831 1.00 0.00 H new ATOM 0 HG12 ILE A 132 3.537 -1.301 3.247 1.00 0.00 H new ATOM 0 HG13 ILE A 132 5.161 -0.669 3.061 1.00 0.00 H new ATOM 0 HG21 ILE A 132 1.964 0.250 1.310 1.00 0.00 H new ATOM 0 HG22 ILE A 132 2.359 -0.669 -0.162 1.00 0.00 H new ATOM 0 HG23 ILE A 132 2.047 -1.527 1.366 1.00 0.00 H new ATOM 0 HD11 ILE A 132 3.759 0.890 4.376 1.00 0.00 H new ATOM 0 HD12 ILE A 132 4.252 1.637 2.837 1.00 0.00 H new ATOM 0 HD13 ILE A 132 2.603 0.995 3.027 1.00 0.00 H new ATOM 2077 N SER A 133 4.051 -3.799 1.938 1.00 0.00 N ATOM 2078 CA SER A 133 3.201 -5.002 2.201 1.00 0.00 C ATOM 2079 C SER A 133 3.154 -5.249 3.703 1.00 0.00 C ATOM 2080 O SER A 133 4.178 -5.260 4.353 1.00 0.00 O ATOM 2081 CB SER A 133 3.804 -6.221 1.512 1.00 0.00 C ATOM 2082 OG SER A 133 2.953 -7.345 1.708 1.00 0.00 O ATOM 0 H SER A 133 4.825 -3.664 2.589 1.00 0.00 H new ATOM 0 HA SER A 133 2.196 -4.832 1.815 1.00 0.00 H new ATOM 0 HB2 SER A 133 3.928 -6.026 0.447 1.00 0.00 H new ATOM 0 HB3 SER A 133 4.795 -6.427 1.915 1.00 0.00 H new ATOM 0 HG SER A 133 2.065 -7.038 1.986 1.00 0.00 H new ATOM 2088 N VAL A 134 1.990 -5.402 4.277 1.00 0.00 N ATOM 2089 CA VAL A 134 1.924 -5.591 5.751 1.00 0.00 C ATOM 2090 C VAL A 134 1.573 -7.042 6.080 1.00 0.00 C ATOM 2091 O VAL A 134 1.183 -7.792 5.209 1.00 0.00 O ATOM 2092 CB VAL A 134 0.855 -4.671 6.329 1.00 0.00 C ATOM 2093 CG1 VAL A 134 1.059 -3.237 5.818 1.00 0.00 C ATOM 2094 CG2 VAL A 134 -0.523 -5.179 5.904 1.00 0.00 C ATOM 0 H VAL A 134 1.092 -5.404 3.793 1.00 0.00 H new ATOM 0 HA VAL A 134 2.895 -5.352 6.185 1.00 0.00 H new ATOM 0 HB VAL A 134 0.929 -4.669 7.416 1.00 0.00 H new ATOM 0 HG11 VAL A 134 0.290 -2.588 6.237 1.00 0.00 H new ATOM 0 HG12 VAL A 134 2.042 -2.878 6.123 1.00 0.00 H new ATOM 0 HG13 VAL A 134 0.990 -3.225 4.730 1.00 0.00 H new ATOM 0 HG21 VAL A 134 -1.294 -4.526 6.314 1.00 0.00 H new ATOM 0 HG22 VAL A 134 -0.590 -5.182 4.816 1.00 0.00 H new ATOM 0 HG23 VAL A 134 -0.669 -6.192 6.279 1.00 0.00 H new ATOM 2104 N PRO A 135 1.738 -7.450 7.324 1.00 0.00 N ATOM 2105 CA PRO A 135 1.466 -8.848 7.755 1.00 0.00 C ATOM 2106 C PRO A 135 -0.030 -9.127 7.929 1.00 0.00 C ATOM 2107 O PRO A 135 -0.846 -8.226 7.939 1.00 0.00 O ATOM 2108 CB PRO A 135 2.198 -8.975 9.105 1.00 0.00 C ATOM 2109 CG PRO A 135 2.914 -7.677 9.314 1.00 0.00 C ATOM 2110 CD PRO A 135 2.173 -6.647 8.475 1.00 0.00 C ATOM 0 HA PRO A 135 1.806 -9.567 7.009 1.00 0.00 H new ATOM 0 HB2 PRO A 135 1.493 -9.166 9.914 1.00 0.00 H new ATOM 0 HB3 PRO A 135 2.900 -9.809 9.091 1.00 0.00 H new ATOM 0 HG2 PRO A 135 2.912 -7.396 10.367 1.00 0.00 H new ATOM 0 HG3 PRO A 135 3.957 -7.753 9.006 1.00 0.00 H new ATOM 0 HD2 PRO A 135 1.330 -6.213 9.012 1.00 0.00 H new ATOM 0 HD3 PRO A 135 2.820 -5.822 8.176 1.00 0.00 H new ATOM 2118 N ALA A 136 -0.392 -10.372 8.073 1.00 0.00 N ATOM 2119 CA ALA A 136 -1.827 -10.718 8.264 1.00 0.00 C ATOM 2120 C ALA A 136 -2.237 -10.366 9.694 1.00 0.00 C ATOM 2121 O ALA A 136 -1.406 -10.076 10.528 1.00 0.00 O ATOM 2122 CB ALA A 136 -2.034 -12.216 8.041 1.00 0.00 C ATOM 0 H ALA A 136 0.247 -11.167 8.066 1.00 0.00 H new ATOM 0 HA ALA A 136 -2.432 -10.159 7.550 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -3.086 -12.463 8.182 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -1.733 -12.478 7.027 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -1.431 -12.777 8.755 1.00 0.00 H new ATOM 2128 N HIS A 137 -3.511 -10.381 9.978 1.00 0.00 N ATOM 2129 CA HIS A 137 -3.989 -10.044 11.353 1.00 0.00 C ATOM 2130 C HIS A 137 -3.717 -8.572 11.645 1.00 0.00 C ATOM 2131 O HIS A 137 -3.948 -8.096 12.737 1.00 0.00 O ATOM 2132 CB HIS A 137 -3.282 -10.918 12.395 1.00 0.00 C ATOM 2133 CG HIS A 137 -3.290 -12.342 11.922 1.00 0.00 C ATOM 2134 ND1 HIS A 137 -4.413 -12.908 11.343 1.00 0.00 N ATOM 2135 CD2 HIS A 137 -2.334 -13.329 11.936 1.00 0.00 C ATOM 2136 CE1 HIS A 137 -4.114 -14.179 11.033 1.00 0.00 C ATOM 2137 NE2 HIS A 137 -2.861 -14.487 11.375 1.00 0.00 N ATOM 0 H HIS A 137 -4.248 -10.614 9.312 1.00 0.00 H new ATOM 0 HA HIS A 137 -5.061 -10.233 11.408 1.00 0.00 H new ATOM 0 HB2 HIS A 137 -2.258 -10.575 12.542 1.00 0.00 H new ATOM 0 HB3 HIS A 137 -3.786 -10.838 13.358 1.00 0.00 H new ATOM 0 HD2 HIS A 137 -1.331 -13.222 12.322 1.00 0.00 H new ATOM 0 HE1 HIS A 137 -4.802 -14.867 10.565 1.00 0.00 H new ATOM 0 HE2 HIS A 137 -2.390 -15.383 11.251 1.00 0.00 H new ATOM 2146 N THR A 138 -3.241 -7.848 10.671 1.00 0.00 N ATOM 2147 CA THR A 138 -2.970 -6.399 10.888 1.00 0.00 C ATOM 2148 C THR A 138 -4.028 -5.562 10.136 1.00 0.00 C ATOM 2149 O THR A 138 -4.133 -5.644 8.929 1.00 0.00 O ATOM 2150 CB THR A 138 -1.567 -6.046 10.388 1.00 0.00 C ATOM 2151 OG1 THR A 138 -0.681 -7.124 10.670 1.00 0.00 O ATOM 2152 CG2 THR A 138 -1.078 -4.778 11.100 1.00 0.00 C ATOM 0 H THR A 138 -3.028 -8.196 9.736 1.00 0.00 H new ATOM 0 HA THR A 138 -3.025 -6.177 11.954 1.00 0.00 H new ATOM 0 HB THR A 138 -1.594 -5.870 9.313 1.00 0.00 H new ATOM 0 HG1 THR A 138 -0.679 -7.751 9.917 1.00 0.00 H new ATOM 0 HG21 THR A 138 -0.079 -4.524 10.746 1.00 0.00 H new ATOM 0 HG22 THR A 138 -1.759 -3.955 10.885 1.00 0.00 H new ATOM 0 HG23 THR A 138 -1.048 -4.953 12.175 1.00 0.00 H new ATOM 2160 N PRO A 139 -4.821 -4.768 10.833 1.00 0.00 N ATOM 2161 CA PRO A 139 -5.884 -3.929 10.192 1.00 0.00 C ATOM 2162 C PRO A 139 -5.292 -2.741 9.433 1.00 0.00 C ATOM 2163 O PRO A 139 -4.378 -2.089 9.898 1.00 0.00 O ATOM 2164 CB PRO A 139 -6.729 -3.438 11.369 1.00 0.00 C ATOM 2165 CG PRO A 139 -5.824 -3.470 12.551 1.00 0.00 C ATOM 2166 CD PRO A 139 -4.795 -4.573 12.296 1.00 0.00 C ATOM 0 HA PRO A 139 -6.456 -4.494 9.456 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -7.104 -2.430 11.189 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -7.597 -4.079 11.523 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -5.332 -2.507 12.686 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -6.387 -3.671 13.463 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -3.803 -4.279 12.640 1.00 0.00 H new ATOM 0 HD3 PRO A 139 -5.056 -5.490 12.824 1.00 0.00 H new ATOM 2174 N HIS A 140 -5.836 -2.421 8.293 1.00 0.00 N ATOM 2175 CA HIS A 140 -5.336 -1.247 7.530 1.00 0.00 C ATOM 2176 C HIS A 140 -6.511 -0.458 6.943 1.00 0.00 C ATOM 2177 O HIS A 140 -7.621 -0.945 6.874 1.00 0.00 O ATOM 2178 CB HIS A 140 -4.422 -1.719 6.415 1.00 0.00 C ATOM 2179 CG HIS A 140 -4.998 -2.952 5.787 1.00 0.00 C ATOM 2180 ND1 HIS A 140 -5.281 -4.101 6.521 1.00 0.00 N ATOM 2181 CD2 HIS A 140 -5.335 -3.239 4.490 1.00 0.00 C ATOM 2182 CE1 HIS A 140 -5.764 -5.021 5.663 1.00 0.00 C ATOM 2183 NE2 HIS A 140 -5.814 -4.538 4.424 1.00 0.00 N ATOM 0 H HIS A 140 -6.608 -2.924 7.856 1.00 0.00 H new ATOM 0 HA HIS A 140 -4.779 -0.595 8.203 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -4.309 -0.935 5.666 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -3.428 -1.929 6.809 1.00 0.00 H new ATOM 0 HD1 HIS A 140 -5.147 -4.224 7.525 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -5.242 -2.562 3.654 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -6.070 -6.018 5.944 1.00 0.00 H new ATOM 2191 N TRP A 141 -6.270 0.738 6.473 1.00 0.00 N ATOM 2192 CA TRP A 141 -7.369 1.527 5.838 1.00 0.00 C ATOM 2193 C TRP A 141 -6.757 2.527 4.838 1.00 0.00 C ATOM 2194 O TRP A 141 -5.649 2.991 5.022 1.00 0.00 O ATOM 2195 CB TRP A 141 -8.156 2.286 6.904 1.00 0.00 C ATOM 2196 CG TRP A 141 -7.216 3.070 7.749 1.00 0.00 C ATOM 2197 CD1 TRP A 141 -6.592 4.208 7.369 1.00 0.00 C ATOM 2198 CD2 TRP A 141 -6.787 2.798 9.108 1.00 0.00 C ATOM 2199 NE1 TRP A 141 -5.805 4.653 8.416 1.00 0.00 N ATOM 2200 CE2 TRP A 141 -5.892 3.816 9.511 1.00 0.00 C ATOM 2201 CE3 TRP A 141 -7.088 1.774 10.022 1.00 0.00 C ATOM 2202 CZ2 TRP A 141 -5.315 3.816 10.780 1.00 0.00 C ATOM 2203 CZ3 TRP A 141 -6.509 1.771 11.299 1.00 0.00 C ATOM 2204 CH2 TRP A 141 -5.625 2.790 11.678 1.00 0.00 C ATOM 0 H TRP A 141 -5.362 1.202 6.501 1.00 0.00 H new ATOM 0 HA TRP A 141 -8.046 0.849 5.318 1.00 0.00 H new ATOM 0 HB2 TRP A 141 -8.879 2.951 6.433 1.00 0.00 H new ATOM 0 HB3 TRP A 141 -8.720 1.587 7.521 1.00 0.00 H new ATOM 0 HD1 TRP A 141 -6.692 4.690 6.407 1.00 0.00 H new ATOM 0 HE1 TRP A 141 -5.231 5.496 8.383 1.00 0.00 H new ATOM 0 HE3 TRP A 141 -7.769 0.985 9.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 141 -4.633 4.603 11.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 141 -6.746 0.979 11.994 1.00 0.00 H new ATOM 0 HH2 TRP A 141 -5.183 2.783 12.663 1.00 0.00 H new ATOM 2215 N PHE A 142 -7.458 2.865 3.783 1.00 0.00 N ATOM 2216 CA PHE A 142 -6.896 3.838 2.792 1.00 0.00 C ATOM 2217 C PHE A 142 -7.479 5.223 3.061 1.00 0.00 C ATOM 2218 O PHE A 142 -8.666 5.373 3.230 1.00 0.00 O ATOM 2219 CB PHE A 142 -7.267 3.405 1.372 1.00 0.00 C ATOM 2220 CG PHE A 142 -6.152 2.578 0.774 1.00 0.00 C ATOM 2221 CD1 PHE A 142 -4.992 3.199 0.289 1.00 0.00 C ATOM 2222 CD2 PHE A 142 -6.285 1.189 0.693 1.00 0.00 C ATOM 2223 CE1 PHE A 142 -3.974 2.434 -0.277 1.00 0.00 C ATOM 2224 CE2 PHE A 142 -5.263 0.421 0.129 1.00 0.00 C ATOM 2225 CZ PHE A 142 -4.106 1.047 -0.359 1.00 0.00 C ATOM 0 H PHE A 142 -8.390 2.512 3.565 1.00 0.00 H new ATOM 0 HA PHE A 142 -5.811 3.865 2.890 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -8.191 2.826 1.389 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -7.452 4.282 0.752 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -4.887 4.272 0.354 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -7.178 0.709 1.066 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -3.083 2.915 -0.652 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -5.363 -0.653 0.069 1.00 0.00 H new ATOM 0 HZ PHE A 142 -3.317 0.455 -0.798 1.00 0.00 H new ATOM 2235 N ASP A 143 -6.660 6.239 3.099 1.00 0.00 N ATOM 2236 CA ASP A 143 -7.193 7.606 3.371 1.00 0.00 C ATOM 2237 C ASP A 143 -7.496 8.302 2.047 1.00 0.00 C ATOM 2238 O ASP A 143 -6.608 8.620 1.282 1.00 0.00 O ATOM 2239 CB ASP A 143 -6.138 8.414 4.125 1.00 0.00 C ATOM 2240 CG ASP A 143 -6.759 9.704 4.667 1.00 0.00 C ATOM 2241 OD1 ASP A 143 -7.313 9.661 5.753 1.00 0.00 O ATOM 2242 OD2 ASP A 143 -6.661 10.715 3.990 1.00 0.00 O ATOM 0 H ASP A 143 -5.652 6.184 2.955 1.00 0.00 H new ATOM 0 HA ASP A 143 -8.103 7.532 3.967 1.00 0.00 H new ATOM 0 HB2 ASP A 143 -5.732 7.823 4.946 1.00 0.00 H new ATOM 0 HB3 ASP A 143 -5.306 8.651 3.462 1.00 0.00 H new ATOM 2247 N MET A 144 -8.748 8.532 1.770 1.00 0.00 N ATOM 2248 CA MET A 144 -9.118 9.200 0.494 1.00 0.00 C ATOM 2249 C MET A 144 -9.162 10.712 0.681 1.00 0.00 C ATOM 2250 O MET A 144 -8.298 11.432 0.217 1.00 0.00 O ATOM 2251 CB MET A 144 -10.487 8.694 0.044 1.00 0.00 C ATOM 2252 CG MET A 144 -10.312 7.633 -1.047 1.00 0.00 C ATOM 2253 SD MET A 144 -8.997 6.478 -0.572 1.00 0.00 S ATOM 2254 CE MET A 144 -9.936 4.952 -0.804 1.00 0.00 C ATOM 0 H MET A 144 -9.532 8.285 2.374 1.00 0.00 H new ATOM 0 HA MET A 144 -8.371 8.966 -0.264 1.00 0.00 H new ATOM 0 HB2 MET A 144 -11.026 8.272 0.892 1.00 0.00 H new ATOM 0 HB3 MET A 144 -11.086 9.523 -0.334 1.00 0.00 H new ATOM 0 HG2 MET A 144 -11.247 7.093 -1.196 1.00 0.00 H new ATOM 0 HG3 MET A 144 -10.065 8.110 -1.995 1.00 0.00 H new ATOM 0 HE1 MET A 144 -9.357 4.108 -0.429 1.00 0.00 H new ATOM 0 HE2 MET A 144 -10.877 5.017 -0.258 1.00 0.00 H new ATOM 0 HE3 MET A 144 -10.141 4.809 -1.865 1.00 0.00 H new ATOM 2264 N GLY A 145 -10.169 11.205 1.341 1.00 0.00 N ATOM 2265 CA GLY A 145 -10.281 12.681 1.546 1.00 0.00 C ATOM 2266 C GLY A 145 -10.533 13.369 0.200 1.00 0.00 C ATOM 2267 O GLY A 145 -11.126 14.426 0.128 1.00 0.00 O ATOM 0 H GLY A 145 -10.923 10.652 1.750 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -11.095 12.902 2.237 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -9.367 13.066 1.997 1.00 0.00 H new ATOM 2271 N SER A 146 -10.057 12.783 -0.860 1.00 0.00 N ATOM 2272 CA SER A 146 -10.220 13.383 -2.211 1.00 0.00 C ATOM 2273 C SER A 146 -10.547 12.273 -3.200 1.00 0.00 C ATOM 2274 O SER A 146 -10.652 11.121 -2.833 1.00 0.00 O ATOM 2275 CB SER A 146 -8.915 14.058 -2.637 1.00 0.00 C ATOM 2276 OG SER A 146 -8.816 15.333 -2.020 1.00 0.00 O ATOM 0 H SER A 146 -9.552 11.897 -0.847 1.00 0.00 H new ATOM 0 HA SER A 146 -11.020 14.123 -2.190 1.00 0.00 H new ATOM 0 HB2 SER A 146 -8.064 13.439 -2.354 1.00 0.00 H new ATOM 0 HB3 SER A 146 -8.886 14.164 -3.721 1.00 0.00 H new ATOM 0 HG SER A 146 -7.979 15.764 -2.292 1.00 0.00 H new ATOM 2282 N GLU A 147 -10.707 12.610 -4.452 1.00 0.00 N ATOM 2283 CA GLU A 147 -11.019 11.568 -5.473 1.00 0.00 C ATOM 2284 C GLU A 147 -9.824 11.349 -6.430 1.00 0.00 C ATOM 2285 O GLU A 147 -9.983 11.407 -7.632 1.00 0.00 O ATOM 2286 CB GLU A 147 -12.232 12.032 -6.277 1.00 0.00 C ATOM 2287 CG GLU A 147 -13.190 12.781 -5.349 1.00 0.00 C ATOM 2288 CD GLU A 147 -13.447 11.937 -4.099 1.00 0.00 C ATOM 2289 OE1 GLU A 147 -13.794 10.778 -4.252 1.00 0.00 O ATOM 2290 OE2 GLU A 147 -13.290 12.465 -3.010 1.00 0.00 O ATOM 0 H GLU A 147 -10.635 13.562 -4.812 1.00 0.00 H new ATOM 0 HA GLU A 147 -11.225 10.624 -4.968 1.00 0.00 H new ATOM 0 HB2 GLU A 147 -11.916 12.680 -7.094 1.00 0.00 H new ATOM 0 HB3 GLU A 147 -12.736 11.176 -6.726 1.00 0.00 H new ATOM 0 HG2 GLU A 147 -12.765 13.745 -5.070 1.00 0.00 H new ATOM 0 HG3 GLU A 147 -14.129 12.984 -5.864 1.00 0.00 H new ATOM 2297 N PRO A 148 -8.644 11.080 -5.911 1.00 0.00 N ATOM 2298 CA PRO A 148 -7.431 10.831 -6.746 1.00 0.00 C ATOM 2299 C PRO A 148 -7.440 9.435 -7.368 1.00 0.00 C ATOM 2300 O PRO A 148 -7.790 8.462 -6.728 1.00 0.00 O ATOM 2301 CB PRO A 148 -6.278 10.957 -5.751 1.00 0.00 C ATOM 2302 CG PRO A 148 -6.862 10.559 -4.440 1.00 0.00 C ATOM 2303 CD PRO A 148 -8.325 10.988 -4.478 1.00 0.00 C ATOM 0 HA PRO A 148 -7.365 11.524 -7.584 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -5.445 10.309 -6.026 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -5.892 11.976 -5.719 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -6.776 9.483 -4.286 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -6.336 11.042 -3.617 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -8.965 10.263 -3.975 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -8.471 11.945 -3.976 1.00 0.00 H new ATOM 2311 N ASN A 149 -7.049 9.329 -8.603 1.00 0.00 N ATOM 2312 CA ASN A 149 -7.031 7.991 -9.255 1.00 0.00 C ATOM 2313 C ASN A 149 -5.735 7.275 -8.868 1.00 0.00 C ATOM 2314 O ASN A 149 -4.728 7.379 -9.541 1.00 0.00 O ATOM 2315 CB ASN A 149 -7.088 8.166 -10.773 1.00 0.00 C ATOM 2316 CG ASN A 149 -5.853 8.939 -11.235 1.00 0.00 C ATOM 2317 OD1 ASN A 149 -5.828 10.237 -11.109 1.00 0.00 O flip ATOM 2318 ND2 ASN A 149 -4.899 8.356 -11.713 1.00 0.00 N flip ATOM 0 H ASN A 149 -6.742 10.106 -9.189 1.00 0.00 H new ATOM 0 HA ASN A 149 -7.890 7.404 -8.930 1.00 0.00 H new ATOM 0 HB2 ASN A 149 -7.127 7.193 -11.262 1.00 0.00 H new ATOM 0 HB3 ASN A 149 -7.994 8.702 -11.056 1.00 0.00 H new ATOM 0 HD21 ASN A 149 -4.919 7.341 -11.811 1.00 0.00 H new ATOM 0 HD22 ASN A 149 -4.079 8.882 -12.015 1.00 0.00 H new ATOM 2325 N PHE A 150 -5.757 6.553 -7.777 1.00 0.00 N ATOM 2326 CA PHE A 150 -4.532 5.833 -7.326 1.00 0.00 C ATOM 2327 C PHE A 150 -4.585 4.376 -7.795 1.00 0.00 C ATOM 2328 O PHE A 150 -5.561 3.683 -7.583 1.00 0.00 O ATOM 2329 CB PHE A 150 -4.437 5.906 -5.788 1.00 0.00 C ATOM 2330 CG PHE A 150 -5.166 4.735 -5.159 1.00 0.00 C ATOM 2331 CD1 PHE A 150 -6.538 4.552 -5.387 1.00 0.00 C ATOM 2332 CD2 PHE A 150 -4.463 3.813 -4.368 1.00 0.00 C ATOM 2333 CE1 PHE A 150 -7.202 3.447 -4.835 1.00 0.00 C ATOM 2334 CE2 PHE A 150 -5.132 2.714 -3.812 1.00 0.00 C ATOM 2335 CZ PHE A 150 -6.497 2.529 -4.050 1.00 0.00 C ATOM 0 H PHE A 150 -6.574 6.432 -7.178 1.00 0.00 H new ATOM 0 HA PHE A 150 -3.648 6.301 -7.758 1.00 0.00 H new ATOM 0 HB2 PHE A 150 -3.391 5.899 -5.481 1.00 0.00 H new ATOM 0 HB3 PHE A 150 -4.867 6.843 -5.434 1.00 0.00 H new ATOM 0 HD1 PHE A 150 -7.084 5.263 -5.989 1.00 0.00 H new ATOM 0 HD2 PHE A 150 -3.407 3.950 -4.188 1.00 0.00 H new ATOM 0 HE1 PHE A 150 -8.257 3.305 -5.016 1.00 0.00 H new ATOM 0 HE2 PHE A 150 -4.592 2.008 -3.198 1.00 0.00 H new ATOM 0 HZ PHE A 150 -7.008 1.676 -3.627 1.00 0.00 H new ATOM 2345 N THR A 151 -3.539 3.905 -8.429 1.00 0.00 N ATOM 2346 CA THR A 151 -3.525 2.491 -8.901 1.00 0.00 C ATOM 2347 C THR A 151 -2.776 1.640 -7.876 1.00 0.00 C ATOM 2348 O THR A 151 -1.688 1.974 -7.450 1.00 0.00 O ATOM 2349 CB THR A 151 -2.821 2.400 -10.263 1.00 0.00 C ATOM 2350 OG1 THR A 151 -3.482 3.249 -11.191 1.00 0.00 O ATOM 2351 CG2 THR A 151 -2.857 0.957 -10.780 1.00 0.00 C ATOM 0 H THR A 151 -2.696 4.440 -8.639 1.00 0.00 H new ATOM 0 HA THR A 151 -4.547 2.129 -9.010 1.00 0.00 H new ATOM 0 HB THR A 151 -1.783 2.712 -10.150 1.00 0.00 H new ATOM 0 HG1 THR A 151 -3.260 2.971 -12.104 1.00 0.00 H new ATOM 0 HG21 THR A 151 -2.355 0.904 -11.746 1.00 0.00 H new ATOM 0 HG22 THR A 151 -2.349 0.304 -10.071 1.00 0.00 H new ATOM 0 HG23 THR A 151 -3.893 0.636 -10.891 1.00 0.00 H new ATOM 2359 N ALA A 152 -3.362 0.552 -7.466 1.00 0.00 N ATOM 2360 CA ALA A 152 -2.704 -0.326 -6.458 1.00 0.00 C ATOM 2361 C ALA A 152 -2.845 -1.792 -6.877 1.00 0.00 C ATOM 2362 O ALA A 152 -3.745 -2.149 -7.600 1.00 0.00 O ATOM 2363 CB ALA A 152 -3.343 -0.111 -5.087 1.00 0.00 C ATOM 0 H ALA A 152 -4.275 0.230 -7.787 1.00 0.00 H new ATOM 0 HA ALA A 152 -1.645 -0.073 -6.399 1.00 0.00 H new ATOM 0 HB1 ALA A 152 -2.858 -0.756 -4.354 1.00 0.00 H new ATOM 0 HB2 ALA A 152 -3.224 0.931 -4.789 1.00 0.00 H new ATOM 0 HB3 ALA A 152 -4.404 -0.354 -5.138 1.00 0.00 H new ATOM 2369 N ILE A 153 -1.968 -2.638 -6.414 1.00 0.00 N ATOM 2370 CA ILE A 153 -2.058 -4.092 -6.766 1.00 0.00 C ATOM 2371 C ILE A 153 -2.131 -4.904 -5.479 1.00 0.00 C ATOM 2372 O ILE A 153 -1.283 -4.785 -4.641 1.00 0.00 O ATOM 2373 CB ILE A 153 -0.823 -4.504 -7.554 1.00 0.00 C ATOM 2374 CG1 ILE A 153 -0.571 -3.467 -8.649 1.00 0.00 C ATOM 2375 CG2 ILE A 153 -1.052 -5.880 -8.174 1.00 0.00 C ATOM 2376 CD1 ILE A 153 0.011 -4.143 -9.892 1.00 0.00 C ATOM 0 H ILE A 153 -1.189 -2.389 -5.805 1.00 0.00 H new ATOM 0 HA ILE A 153 -2.946 -4.271 -7.372 1.00 0.00 H new ATOM 0 HB ILE A 153 0.044 -4.556 -6.896 1.00 0.00 H new ATOM 0 HG12 ILE A 153 -1.503 -2.962 -8.903 1.00 0.00 H new ATOM 0 HG13 ILE A 153 0.117 -2.703 -8.286 1.00 0.00 H new ATOM 0 HG21 ILE A 153 -0.168 -6.176 -8.739 1.00 0.00 H new ATOM 0 HG22 ILE A 153 -1.239 -6.608 -7.385 1.00 0.00 H new ATOM 0 HG23 ILE A 153 -1.912 -5.840 -8.842 1.00 0.00 H new ATOM 0 HD11 ILE A 153 0.186 -3.395 -10.665 1.00 0.00 H new ATOM 0 HD12 ILE A 153 0.953 -4.627 -9.635 1.00 0.00 H new ATOM 0 HD13 ILE A 153 -0.691 -4.890 -10.263 1.00 0.00 H new ATOM 2388 N ARG A 154 -3.121 -5.737 -5.317 1.00 0.00 N ATOM 2389 CA ARG A 154 -3.215 -6.540 -4.063 1.00 0.00 C ATOM 2390 C ARG A 154 -3.046 -8.024 -4.382 1.00 0.00 C ATOM 2391 O ARG A 154 -3.583 -8.525 -5.350 1.00 0.00 O ATOM 2392 CB ARG A 154 -4.584 -6.307 -3.428 1.00 0.00 C ATOM 2393 CG ARG A 154 -5.658 -6.941 -4.318 1.00 0.00 C ATOM 2394 CD ARG A 154 -7.034 -6.380 -3.961 1.00 0.00 C ATOM 2395 NE ARG A 154 -6.988 -5.784 -2.599 1.00 0.00 N ATOM 2396 CZ ARG A 154 -8.037 -5.179 -2.116 1.00 0.00 C ATOM 2397 NH1 ARG A 154 -9.135 -5.112 -2.819 1.00 0.00 N ATOM 2398 NH2 ARG A 154 -7.989 -4.644 -0.927 1.00 0.00 N ATOM 0 H ARG A 154 -3.867 -5.897 -5.994 1.00 0.00 H new ATOM 0 HA ARG A 154 -2.428 -6.234 -3.373 1.00 0.00 H new ATOM 0 HB2 ARG A 154 -4.616 -6.744 -2.430 1.00 0.00 H new ATOM 0 HB3 ARG A 154 -4.770 -5.239 -3.315 1.00 0.00 H new ATOM 0 HG2 ARG A 154 -5.436 -6.742 -5.367 1.00 0.00 H new ATOM 0 HG3 ARG A 154 -5.654 -8.024 -4.191 1.00 0.00 H new ATOM 0 HD2 ARG A 154 -7.331 -5.626 -4.690 1.00 0.00 H new ATOM 0 HD3 ARG A 154 -7.782 -7.172 -3.998 1.00 0.00 H new ATOM 0 HE ARG A 154 -6.135 -5.849 -2.043 1.00 0.00 H new ATOM 0 HH11 ARG A 154 -9.173 -5.533 -3.747 1.00 0.00 H new ATOM 0 HH12 ARG A 154 -9.955 -4.638 -2.440 1.00 0.00 H new ATOM 0 HH21 ARG A 154 -7.132 -4.699 -0.377 1.00 0.00 H new ATOM 0 HH22 ARG A 154 -8.809 -4.170 -0.547 1.00 0.00 H new ATOM 2412 N ILE A 155 -2.295 -8.729 -3.576 1.00 0.00 N ATOM 2413 CA ILE A 155 -2.080 -10.182 -3.832 1.00 0.00 C ATOM 2414 C ILE A 155 -2.466 -11.001 -2.599 1.00 0.00 C ATOM 2415 O ILE A 155 -2.141 -10.649 -1.482 1.00 0.00 O ATOM 2416 CB ILE A 155 -0.608 -10.427 -4.151 1.00 0.00 C ATOM 2417 CG1 ILE A 155 -0.186 -9.547 -5.330 1.00 0.00 C ATOM 2418 CG2 ILE A 155 -0.424 -11.895 -4.523 1.00 0.00 C ATOM 2419 CD1 ILE A 155 1.334 -9.593 -5.486 1.00 0.00 C ATOM 0 H ILE A 155 -1.822 -8.360 -2.751 1.00 0.00 H new ATOM 0 HA ILE A 155 -2.702 -10.487 -4.674 1.00 0.00 H new ATOM 0 HB ILE A 155 0.005 -10.183 -3.283 1.00 0.00 H new ATOM 0 HG12 ILE A 155 -0.666 -9.893 -6.245 1.00 0.00 H new ATOM 0 HG13 ILE A 155 -0.514 -8.520 -5.166 1.00 0.00 H new ATOM 0 HG21 ILE A 155 0.625 -12.083 -4.753 1.00 0.00 H new ATOM 0 HG22 ILE A 155 -0.730 -12.523 -3.687 1.00 0.00 H new ATOM 0 HG23 ILE A 155 -1.035 -12.129 -5.395 1.00 0.00 H new ATOM 0 HD11 ILE A 155 1.633 -8.966 -6.326 1.00 0.00 H new ATOM 0 HD12 ILE A 155 1.805 -9.226 -4.574 1.00 0.00 H new ATOM 0 HD13 ILE A 155 1.650 -10.620 -5.670 1.00 0.00 H new ATOM 2431 N PHE A 156 -3.149 -12.099 -2.787 1.00 0.00 N ATOM 2432 CA PHE A 156 -3.539 -12.939 -1.621 1.00 0.00 C ATOM 2433 C PHE A 156 -4.128 -14.263 -2.119 1.00 0.00 C ATOM 2434 O PHE A 156 -4.480 -14.403 -3.274 1.00 0.00 O ATOM 2435 CB PHE A 156 -4.577 -12.185 -0.787 1.00 0.00 C ATOM 2436 CG PHE A 156 -5.913 -12.223 -1.495 1.00 0.00 C ATOM 2437 CD1 PHE A 156 -6.123 -11.433 -2.632 1.00 0.00 C ATOM 2438 CD2 PHE A 156 -6.937 -13.053 -1.022 1.00 0.00 C ATOM 2439 CE1 PHE A 156 -7.356 -11.471 -3.295 1.00 0.00 C ATOM 2440 CE2 PHE A 156 -8.170 -13.092 -1.686 1.00 0.00 C ATOM 2441 CZ PHE A 156 -8.379 -12.301 -2.823 1.00 0.00 C ATOM 0 H PHE A 156 -3.452 -12.449 -3.696 1.00 0.00 H new ATOM 0 HA PHE A 156 -2.664 -13.150 -1.006 1.00 0.00 H new ATOM 0 HB2 PHE A 156 -4.664 -12.637 0.201 1.00 0.00 H new ATOM 0 HB3 PHE A 156 -4.261 -11.153 -0.639 1.00 0.00 H new ATOM 0 HD1 PHE A 156 -5.333 -10.794 -2.998 1.00 0.00 H new ATOM 0 HD2 PHE A 156 -6.776 -13.663 -0.145 1.00 0.00 H new ATOM 0 HE1 PHE A 156 -7.517 -10.860 -4.171 1.00 0.00 H new ATOM 0 HE2 PHE A 156 -8.960 -13.732 -1.321 1.00 0.00 H new ATOM 0 HZ PHE A 156 -9.329 -12.332 -3.335 1.00 0.00 H new TER 2451 PHE A 156 HETATM 2452 FE FE2 A 180 -6.487 -5.556 2.619 1.00 0.00 FE HETATM 2453 O HOH A 181 -7.172 -6.460 0.973 1.00 0.00 O HETATM 2456 O HOH A 182 -6.706 -3.779 1.726 1.00 0.00 O