USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 582 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 ASN : amide:sc= -4.44! C(o=-8.1!,f=-11!) USER MOD Set 1.2: A 75 HIS : no HD1:sc= -3.67! K(o=-8.1!,f=-11) USER MOD Set 2.1: A 54 SER OG : rot 145:sc= 0.79 USER MOD Set 2.2: A 76 SER OG : rot 140:sc= 0.76 USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 111:sc= 0.582 USER MOD Single : A 15 SER OG : rot 77:sc= 0.645 USER MOD Single : A 24 SER OG : rot 30:sc= 1.04 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 78:sc= 0.0248 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -7.09! X(o=-7.1!,f=-6.6) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -1.98! C(o=-2!,f=-3.9!) USER MOD Single : A 50 HIS : no HD1:sc= -0.0659 X(o=-0.066,f=-0.07) USER MOD Single : A 55 GLN : amide:sc= -0.604! C(o=-0.6!,f=-7.1!) USER MOD Single : A 56 MET CE :methyl -177:sc= 0 (180deg=-0.0133) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 66 GLN :FLIP amide:sc= -0.902 F(o=-3.2!,f=-0.9) USER MOD Single : A 68 SER OG : rot -170:sc= -1.9! USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 110 N HIS A 7 -8.572 -13.547 3.806 1.00 0.00 N ATOM 111 CA HIS A 7 -8.033 -13.434 5.194 1.00 0.00 C ATOM 112 C HIS A 7 -6.496 -13.261 5.152 1.00 0.00 C ATOM 113 O HIS A 7 -5.948 -12.466 5.889 1.00 0.00 O ATOM 114 CB HIS A 7 -8.434 -14.709 6.002 1.00 0.00 C ATOM 115 CG HIS A 7 -9.074 -14.340 7.328 1.00 0.00 C ATOM 116 ND1 HIS A 7 -10.444 -14.409 7.531 1.00 0.00 N ATOM 117 CD2 HIS A 7 -8.542 -13.905 8.520 1.00 0.00 C ATOM 118 CE1 HIS A 7 -10.689 -14.027 8.799 1.00 0.00 C ATOM 119 NE2 HIS A 7 -9.565 -13.709 9.445 1.00 0.00 N ATOM 0 HA HIS A 7 -8.455 -12.558 5.687 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -9.128 -15.311 5.415 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -7.551 -15.323 6.180 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -7.492 -13.741 8.710 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -11.674 -13.983 9.239 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -9.475 -13.391 10.410 1.00 0.00 H new ATOM 127 N PRO A 8 -5.801 -13.997 4.313 1.00 0.00 N ATOM 128 CA PRO A 8 -4.308 -13.898 4.216 1.00 0.00 C ATOM 129 C PRO A 8 -3.854 -12.487 3.807 1.00 0.00 C ATOM 130 O PRO A 8 -4.296 -11.948 2.811 1.00 0.00 O ATOM 131 CB PRO A 8 -3.932 -14.949 3.140 1.00 0.00 C ATOM 132 CG PRO A 8 -5.117 -15.870 3.069 1.00 0.00 C ATOM 133 CD PRO A 8 -6.338 -14.993 3.373 1.00 0.00 C ATOM 0 HA PRO A 8 -3.819 -14.084 5.172 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.740 -14.477 2.176 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.027 -15.490 3.416 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.199 -16.328 2.083 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.027 -16.681 3.791 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.734 -14.525 2.472 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.150 -15.570 3.816 1.00 0.00 H new ATOM 141 N LEU A 9 -2.975 -11.891 4.564 1.00 0.00 N ATOM 142 CA LEU A 9 -2.497 -10.523 4.213 1.00 0.00 C ATOM 143 C LEU A 9 -1.720 -10.579 2.889 1.00 0.00 C ATOM 144 O LEU A 9 -1.856 -9.721 2.040 1.00 0.00 O ATOM 145 CB LEU A 9 -1.582 -9.995 5.341 1.00 0.00 C ATOM 146 CG LEU A 9 -2.425 -9.430 6.497 1.00 0.00 C ATOM 147 CD1 LEU A 9 -3.360 -10.515 7.051 1.00 0.00 C ATOM 148 CD2 LEU A 9 -1.486 -8.941 7.606 1.00 0.00 C ATOM 0 H LEU A 9 -2.567 -12.291 5.409 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.349 -9.852 4.100 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.945 -10.800 5.707 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.923 -9.219 4.950 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.031 -8.601 6.132 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.951 -10.103 7.869 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.026 -10.860 6.260 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.768 -11.353 7.418 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.075 -8.539 8.430 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.882 -9.774 7.965 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.833 -8.162 7.213 1.00 0.00 H new ATOM 160 N GLN A 10 -0.895 -11.576 2.719 1.00 0.00 N ATOM 161 CA GLN A 10 -0.084 -11.678 1.469 1.00 0.00 C ATOM 162 C GLN A 10 -0.999 -11.647 0.243 1.00 0.00 C ATOM 163 O GLN A 10 -0.809 -10.854 -0.658 1.00 0.00 O ATOM 164 CB GLN A 10 0.703 -12.995 1.494 1.00 0.00 C ATOM 165 CG GLN A 10 1.674 -13.047 0.312 1.00 0.00 C ATOM 166 CD GLN A 10 2.497 -14.335 0.384 1.00 0.00 C ATOM 167 OE1 GLN A 10 2.589 -14.954 1.425 1.00 0.00 O ATOM 168 NE2 GLN A 10 3.104 -14.768 -0.688 1.00 0.00 N ATOM 0 H GLN A 10 -0.746 -12.327 3.393 1.00 0.00 H new ATOM 0 HA GLN A 10 0.604 -10.835 1.412 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.253 -13.082 2.431 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.016 -13.840 1.448 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.123 -13.007 -0.627 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.334 -12.180 0.331 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.027 -14.249 -1.563 1.00 0.00 H new ATOM 0 HE22 GLN A 10 3.655 -15.626 -0.651 1.00 0.00 H new ATOM 177 N ASP A 11 -1.987 -12.496 0.196 1.00 0.00 N ATOM 178 CA ASP A 11 -2.902 -12.500 -0.980 1.00 0.00 C ATOM 179 C ASP A 11 -3.712 -11.199 -1.009 1.00 0.00 C ATOM 180 O ASP A 11 -3.965 -10.636 -2.056 1.00 0.00 O ATOM 181 CB ASP A 11 -3.854 -13.692 -0.880 1.00 0.00 C ATOM 182 CG ASP A 11 -3.049 -14.993 -0.928 1.00 0.00 C ATOM 183 OD1 ASP A 11 -1.964 -14.975 -1.486 1.00 0.00 O ATOM 184 OD2 ASP A 11 -3.530 -15.983 -0.404 1.00 0.00 O ATOM 0 H ASP A 11 -2.200 -13.185 0.917 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.314 -12.579 -1.895 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.424 -13.639 0.047 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.573 -13.666 -1.699 1.00 0.00 H new ATOM 189 N MET A 12 -4.140 -10.730 0.134 1.00 0.00 N ATOM 190 CA MET A 12 -4.954 -9.479 0.172 1.00 0.00 C ATOM 191 C MET A 12 -4.143 -8.307 -0.393 1.00 0.00 C ATOM 192 O MET A 12 -4.607 -7.583 -1.252 1.00 0.00 O ATOM 193 CB MET A 12 -5.350 -9.186 1.623 1.00 0.00 C ATOM 194 CG MET A 12 -6.269 -7.963 1.682 1.00 0.00 C ATOM 195 SD MET A 12 -6.839 -7.717 3.386 1.00 0.00 S ATOM 196 CE MET A 12 -5.447 -6.715 3.969 1.00 0.00 C ATOM 0 H MET A 12 -3.961 -11.159 1.042 1.00 0.00 H new ATOM 0 HA MET A 12 -5.850 -9.608 -0.435 1.00 0.00 H new ATOM 0 HB2 MET A 12 -5.856 -10.051 2.052 1.00 0.00 H new ATOM 0 HB3 MET A 12 -4.457 -9.009 2.223 1.00 0.00 H new ATOM 0 HG2 MET A 12 -5.737 -7.078 1.334 1.00 0.00 H new ATOM 0 HG3 MET A 12 -7.122 -8.104 1.018 1.00 0.00 H new ATOM 0 HE1 MET A 12 -5.602 -6.451 5.015 1.00 0.00 H new ATOM 0 HE2 MET A 12 -4.523 -7.284 3.871 1.00 0.00 H new ATOM 0 HE3 MET A 12 -5.378 -5.806 3.372 1.00 0.00 H new ATOM 206 N PHE A 13 -2.934 -8.113 0.071 1.00 0.00 N ATOM 207 CA PHE A 13 -2.105 -6.988 -0.458 1.00 0.00 C ATOM 208 C PHE A 13 -1.745 -7.268 -1.922 1.00 0.00 C ATOM 209 O PHE A 13 -1.711 -6.374 -2.741 1.00 0.00 O ATOM 210 CB PHE A 13 -0.815 -6.825 0.379 1.00 0.00 C ATOM 211 CG PHE A 13 -1.129 -6.161 1.714 1.00 0.00 C ATOM 212 CD1 PHE A 13 -1.558 -4.826 1.736 1.00 0.00 C ATOM 213 CD2 PHE A 13 -0.982 -6.862 2.924 1.00 0.00 C ATOM 214 CE1 PHE A 13 -1.841 -4.198 2.955 1.00 0.00 C ATOM 215 CE2 PHE A 13 -1.267 -6.231 4.140 1.00 0.00 C ATOM 216 CZ PHE A 13 -1.697 -4.900 4.156 1.00 0.00 C ATOM 0 H PHE A 13 -2.487 -8.682 0.790 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.678 -6.063 -0.392 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.358 -7.800 0.549 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.090 -6.225 -0.171 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.670 -4.281 0.810 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.649 -7.889 2.915 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.171 -3.170 2.968 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.155 -6.772 5.068 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.918 -4.415 5.095 1.00 0.00 H new ATOM 226 N THR A 14 -1.466 -8.497 -2.256 1.00 0.00 N ATOM 227 CA THR A 14 -1.092 -8.819 -3.663 1.00 0.00 C ATOM 228 C THR A 14 -2.237 -8.439 -4.603 1.00 0.00 C ATOM 229 O THR A 14 -2.029 -7.831 -5.634 1.00 0.00 O ATOM 230 CB THR A 14 -0.824 -10.324 -3.778 1.00 0.00 C ATOM 231 OG1 THR A 14 0.243 -10.673 -2.912 1.00 0.00 O ATOM 232 CG2 THR A 14 -0.437 -10.682 -5.218 1.00 0.00 C ATOM 0 H THR A 14 -1.480 -9.292 -1.617 1.00 0.00 H new ATOM 0 HA THR A 14 -0.199 -8.259 -3.938 1.00 0.00 H new ATOM 0 HB THR A 14 -1.726 -10.870 -3.503 1.00 0.00 H new ATOM 0 HG1 THR A 14 -0.099 -11.222 -2.176 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.249 -11.753 -5.289 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.250 -10.411 -5.891 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.464 -10.136 -5.499 1.00 0.00 H new ATOM 240 N SER A 15 -3.440 -8.802 -4.264 1.00 0.00 N ATOM 241 CA SER A 15 -4.594 -8.472 -5.145 1.00 0.00 C ATOM 242 C SER A 15 -4.753 -6.955 -5.270 1.00 0.00 C ATOM 243 O SER A 15 -5.003 -6.437 -6.340 1.00 0.00 O ATOM 244 CB SER A 15 -5.869 -9.069 -4.551 1.00 0.00 C ATOM 245 OG SER A 15 -5.702 -10.472 -4.401 1.00 0.00 O ATOM 0 H SER A 15 -3.676 -9.314 -3.414 1.00 0.00 H new ATOM 0 HA SER A 15 -4.414 -8.890 -6.136 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.084 -8.611 -3.585 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.720 -8.859 -5.200 1.00 0.00 H new ATOM 0 HG SER A 15 -5.137 -10.653 -3.621 1.00 0.00 H new ATOM 251 N ALA A 16 -4.631 -6.236 -4.186 1.00 0.00 N ATOM 252 CA ALA A 16 -4.797 -4.754 -4.253 1.00 0.00 C ATOM 253 C ALA A 16 -3.665 -4.121 -5.067 1.00 0.00 C ATOM 254 O ALA A 16 -3.890 -3.236 -5.866 1.00 0.00 O ATOM 255 CB ALA A 16 -4.777 -4.181 -2.836 1.00 0.00 C ATOM 0 H ALA A 16 -4.424 -6.609 -3.259 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.747 -4.529 -4.737 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.898 -3.099 -2.879 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.592 -4.614 -2.257 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.826 -4.421 -2.360 1.00 0.00 H new ATOM 261 N ILE A 17 -2.452 -4.555 -4.861 1.00 0.00 N ATOM 262 CA ILE A 17 -1.306 -3.964 -5.612 1.00 0.00 C ATOM 263 C ILE A 17 -1.467 -4.254 -7.107 1.00 0.00 C ATOM 264 O ILE A 17 -1.269 -3.392 -7.939 1.00 0.00 O ATOM 265 CB ILE A 17 0.000 -4.592 -5.091 1.00 0.00 C ATOM 266 CG1 ILE A 17 0.235 -4.140 -3.634 1.00 0.00 C ATOM 267 CG2 ILE A 17 1.195 -4.154 -5.963 1.00 0.00 C ATOM 268 CD1 ILE A 17 1.341 -4.988 -2.995 1.00 0.00 C ATOM 0 H ILE A 17 -2.204 -5.295 -4.204 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.279 -2.884 -5.466 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.087 -5.678 -5.136 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.514 -3.087 -3.612 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.687 -4.238 -3.061 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.110 -4.607 -5.581 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.033 -4.477 -6.991 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.288 -3.068 -5.934 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.501 -4.663 -1.967 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.045 -6.037 -3.002 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.265 -4.868 -3.561 1.00 0.00 H new ATOM 280 N GLU A 18 -1.812 -5.461 -7.451 1.00 0.00 N ATOM 281 CA GLU A 18 -1.965 -5.813 -8.890 1.00 0.00 C ATOM 282 C GLU A 18 -3.161 -5.063 -9.482 1.00 0.00 C ATOM 283 O GLU A 18 -3.158 -4.691 -10.639 1.00 0.00 O ATOM 284 CB GLU A 18 -2.186 -7.323 -9.017 1.00 0.00 C ATOM 285 CG GLU A 18 -2.175 -7.726 -10.495 1.00 0.00 C ATOM 286 CD GLU A 18 -2.307 -9.248 -10.613 1.00 0.00 C ATOM 287 OE1 GLU A 18 -2.640 -9.878 -9.622 1.00 0.00 O ATOM 288 OE2 GLU A 18 -2.068 -9.760 -11.696 1.00 0.00 O ATOM 0 H GLU A 18 -1.995 -6.222 -6.797 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.064 -5.529 -9.434 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.406 -7.861 -8.478 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.137 -7.600 -8.562 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.995 -7.238 -11.022 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.250 -7.393 -10.966 1.00 0.00 H new ATOM 295 N ALA A 19 -4.186 -4.849 -8.707 1.00 0.00 N ATOM 296 CA ALA A 19 -5.384 -4.136 -9.235 1.00 0.00 C ATOM 297 C ALA A 19 -5.022 -2.695 -9.617 1.00 0.00 C ATOM 298 O ALA A 19 -5.493 -2.181 -10.614 1.00 0.00 O ATOM 299 CB ALA A 19 -6.473 -4.119 -8.160 1.00 0.00 C ATOM 0 H ALA A 19 -4.247 -5.137 -7.730 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.745 -4.655 -10.123 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.352 -3.599 -8.541 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.742 -5.142 -7.898 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.102 -3.604 -7.274 1.00 0.00 H new ATOM 305 N VAL A 20 -4.198 -2.034 -8.830 1.00 0.00 N ATOM 306 CA VAL A 20 -3.811 -0.608 -9.134 1.00 0.00 C ATOM 307 C VAL A 20 -2.399 -0.559 -9.736 1.00 0.00 C ATOM 308 O VAL A 20 -1.838 0.500 -9.932 1.00 0.00 O ATOM 309 CB VAL A 20 -3.854 0.224 -7.838 1.00 0.00 C ATOM 310 CG1 VAL A 20 -5.230 0.071 -7.182 1.00 0.00 C ATOM 311 CG2 VAL A 20 -2.762 -0.241 -6.859 1.00 0.00 C ATOM 0 H VAL A 20 -3.774 -2.421 -7.987 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.515 -0.194 -9.856 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.676 1.270 -8.086 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.263 0.659 -6.265 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.001 0.424 -7.867 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.406 -0.979 -6.947 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.809 0.359 -5.950 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.920 -1.290 -6.610 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.783 -0.121 -7.323 1.00 0.00 H new ATOM 321 N ALA A 21 -1.817 -1.691 -10.028 1.00 0.00 N ATOM 322 CA ALA A 21 -0.441 -1.694 -10.608 1.00 0.00 C ATOM 323 C ALA A 21 -0.467 -1.058 -12.005 1.00 0.00 C ATOM 324 O ALA A 21 0.561 -0.842 -12.618 1.00 0.00 O ATOM 325 CB ALA A 21 0.064 -3.143 -10.701 1.00 0.00 C ATOM 0 H ALA A 21 -2.233 -2.612 -9.891 1.00 0.00 H new ATOM 0 HA ALA A 21 0.228 -1.117 -9.970 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.069 -3.152 -11.124 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.086 -3.585 -9.705 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.604 -3.721 -11.340 1.00 0.00 H new ATOM 331 N ARG A 22 -1.634 -0.764 -12.512 1.00 0.00 N ATOM 332 CA ARG A 22 -1.737 -0.149 -13.870 1.00 0.00 C ATOM 333 C ARG A 22 -1.234 1.298 -13.799 1.00 0.00 C ATOM 334 O ARG A 22 -0.876 1.889 -14.800 1.00 0.00 O ATOM 335 CB ARG A 22 -3.214 -0.177 -14.317 1.00 0.00 C ATOM 336 CG ARG A 22 -3.695 -1.645 -14.359 1.00 0.00 C ATOM 337 CD ARG A 22 -5.230 -1.754 -14.567 1.00 0.00 C ATOM 338 NE ARG A 22 -5.763 -1.459 -15.969 1.00 0.00 N ATOM 339 CZ ARG A 22 -5.265 -1.989 -17.079 1.00 0.00 C ATOM 340 NH1 ARG A 22 -3.989 -2.124 -17.278 1.00 0.00 N ATOM 341 NH2 ARG A 22 -6.074 -2.194 -18.090 1.00 0.00 N ATOM 0 H ARG A 22 -2.526 -0.924 -12.043 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.133 -0.703 -14.588 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.828 0.402 -13.627 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.320 0.283 -15.300 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.183 -2.170 -15.165 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.420 -2.142 -13.429 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.538 -2.763 -14.293 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.716 -1.072 -13.869 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.549 -0.815 -16.057 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.326 -1.817 -16.566 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.649 -2.537 -18.147 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.061 -1.947 -18.012 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.717 -2.600 -18.955 1.00 0.00 H new ATOM 355 N ASP A 23 -1.199 1.872 -12.624 1.00 0.00 N ATOM 356 CA ASP A 23 -0.718 3.278 -12.495 1.00 0.00 C ATOM 357 C ASP A 23 0.736 3.365 -12.964 1.00 0.00 C ATOM 358 O ASP A 23 1.083 4.194 -13.779 1.00 0.00 O ATOM 359 CB ASP A 23 -0.813 3.716 -11.026 1.00 0.00 C ATOM 360 CG ASP A 23 -0.283 5.147 -10.866 1.00 0.00 C ATOM 361 OD1 ASP A 23 -0.087 5.807 -11.874 1.00 0.00 O ATOM 362 OD2 ASP A 23 -0.084 5.560 -9.734 1.00 0.00 O ATOM 0 H ASP A 23 -1.482 1.428 -11.750 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.335 3.933 -13.110 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -1.848 3.664 -10.689 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.239 3.035 -10.398 1.00 0.00 H new ATOM 367 N SER A 24 1.584 2.509 -12.455 1.00 0.00 N ATOM 368 CA SER A 24 3.017 2.535 -12.871 1.00 0.00 C ATOM 369 C SER A 24 3.781 1.427 -12.128 1.00 0.00 C ATOM 370 O SER A 24 4.503 1.686 -11.184 1.00 0.00 O ATOM 371 CB SER A 24 3.619 3.915 -12.538 1.00 0.00 C ATOM 372 OG SER A 24 3.402 4.795 -13.633 1.00 0.00 O ATOM 0 H SER A 24 1.345 1.793 -11.769 1.00 0.00 H new ATOM 0 HA SER A 24 3.097 2.363 -13.944 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.159 4.318 -11.635 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.686 3.821 -12.337 1.00 0.00 H new ATOM 0 HG SER A 24 2.575 4.545 -14.095 1.00 0.00 H new ATOM 378 N GLY A 25 3.636 0.200 -12.550 1.00 0.00 N ATOM 379 CA GLY A 25 4.360 -0.914 -11.871 1.00 0.00 C ATOM 380 C GLY A 25 4.014 -0.916 -10.379 1.00 0.00 C ATOM 381 O GLY A 25 3.062 -1.542 -9.955 1.00 0.00 O ATOM 0 H GLY A 25 3.048 -0.080 -13.335 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.084 -1.868 -12.320 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.435 -0.798 -12.005 1.00 0.00 H new ATOM 385 N TRP A 26 4.786 -0.227 -9.582 1.00 0.00 N ATOM 386 CA TRP A 26 4.517 -0.186 -8.114 1.00 0.00 C ATOM 387 C TRP A 26 3.079 0.275 -7.858 1.00 0.00 C ATOM 388 O TRP A 26 2.295 0.436 -8.772 1.00 0.00 O ATOM 389 CB TRP A 26 5.482 0.801 -7.449 1.00 0.00 C ATOM 390 CG TRP A 26 6.882 0.286 -7.550 1.00 0.00 C ATOM 391 CD1 TRP A 26 7.653 0.344 -8.660 1.00 0.00 C ATOM 392 CD2 TRP A 26 7.693 -0.351 -6.521 1.00 0.00 C ATOM 393 NE1 TRP A 26 8.883 -0.224 -8.379 1.00 0.00 N ATOM 394 CE2 TRP A 26 8.956 -0.665 -7.073 1.00 0.00 C ATOM 395 CE3 TRP A 26 7.456 -0.684 -5.175 1.00 0.00 C ATOM 396 CZ2 TRP A 26 9.950 -1.288 -6.317 1.00 0.00 C ATOM 397 CZ3 TRP A 26 8.453 -1.310 -4.411 1.00 0.00 C ATOM 398 CH2 TRP A 26 9.699 -1.612 -4.981 1.00 0.00 C ATOM 0 H TRP A 26 5.596 0.313 -9.886 1.00 0.00 H new ATOM 0 HA TRP A 26 4.657 -1.184 -7.699 1.00 0.00 H new ATOM 0 HB2 TRP A 26 5.408 1.776 -7.930 1.00 0.00 H new ATOM 0 HB3 TRP A 26 5.211 0.940 -6.403 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.357 0.765 -9.610 1.00 0.00 H new ATOM 0 HE1 TRP A 26 9.643 -0.307 -9.054 1.00 0.00 H new ATOM 0 HE3 TRP A 26 6.500 -0.456 -4.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 10.907 -1.518 -6.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.260 -1.561 -3.378 1.00 0.00 H new ATOM 0 HH2 TRP A 26 10.463 -2.094 -4.388 1.00 0.00 H new ATOM 409 N ALA A 27 2.731 0.476 -6.608 1.00 0.00 N ATOM 410 CA ALA A 27 1.343 0.919 -6.249 1.00 0.00 C ATOM 411 C ALA A 27 1.415 1.939 -5.105 1.00 0.00 C ATOM 412 O ALA A 27 2.115 1.746 -4.131 1.00 0.00 O ATOM 413 CB ALA A 27 0.537 -0.305 -5.795 1.00 0.00 C ATOM 0 H ALA A 27 3.356 0.351 -5.812 1.00 0.00 H new ATOM 0 HA ALA A 27 0.863 1.380 -7.112 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.475 0.003 -5.531 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.495 -1.034 -6.605 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.018 -0.755 -4.926 1.00 0.00 H new ATOM 419 N GLU A 28 0.690 3.019 -5.217 1.00 0.00 N ATOM 420 CA GLU A 28 0.709 4.049 -4.140 1.00 0.00 C ATOM 421 C GLU A 28 -0.003 3.500 -2.901 1.00 0.00 C ATOM 422 O GLU A 28 -1.057 2.903 -2.994 1.00 0.00 O ATOM 423 CB GLU A 28 -0.010 5.310 -4.627 1.00 0.00 C ATOM 424 CG GLU A 28 0.806 5.962 -5.748 1.00 0.00 C ATOM 425 CD GLU A 28 0.046 7.166 -6.314 1.00 0.00 C ATOM 426 OE1 GLU A 28 -1.045 7.439 -5.838 1.00 0.00 O ATOM 427 OE2 GLU A 28 0.569 7.797 -7.217 1.00 0.00 O ATOM 0 H GLU A 28 0.084 3.232 -6.010 1.00 0.00 H new ATOM 0 HA GLU A 28 1.741 4.295 -3.888 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.007 5.057 -4.988 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.138 6.010 -3.802 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.776 6.280 -5.366 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.997 5.237 -6.539 1.00 0.00 H new ATOM 434 N LEU A 29 0.575 3.679 -1.742 1.00 0.00 N ATOM 435 CA LEU A 29 -0.052 3.149 -0.498 1.00 0.00 C ATOM 436 C LEU A 29 -1.469 3.712 -0.363 1.00 0.00 C ATOM 437 O LEU A 29 -2.388 3.012 0.015 1.00 0.00 O ATOM 438 CB LEU A 29 0.800 3.575 0.712 1.00 0.00 C ATOM 439 CG LEU A 29 0.201 3.051 2.034 1.00 0.00 C ATOM 440 CD1 LEU A 29 0.117 1.507 2.028 1.00 0.00 C ATOM 441 CD2 LEU A 29 1.091 3.524 3.192 1.00 0.00 C ATOM 0 H LEU A 29 1.458 4.171 -1.604 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.104 2.061 -0.541 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.815 3.196 0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.867 4.662 0.747 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.811 3.439 2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.308 1.162 2.970 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.516 1.180 1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.116 1.089 1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.683 3.163 4.136 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.099 3.132 3.059 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.124 4.613 3.204 1.00 0.00 H new ATOM 453 N SER A 30 -1.659 4.964 -0.672 1.00 0.00 N ATOM 454 CA SER A 30 -3.020 5.556 -0.562 1.00 0.00 C ATOM 455 C SER A 30 -3.980 4.781 -1.469 1.00 0.00 C ATOM 456 O SER A 30 -5.093 4.474 -1.091 1.00 0.00 O ATOM 457 CB SER A 30 -2.972 7.020 -0.998 1.00 0.00 C ATOM 458 OG SER A 30 -4.263 7.596 -0.857 1.00 0.00 O ATOM 0 H SER A 30 -0.932 5.602 -0.995 1.00 0.00 H new ATOM 0 HA SER A 30 -3.366 5.497 0.470 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.249 7.568 -0.393 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.641 7.092 -2.034 1.00 0.00 H new ATOM 0 HG SER A 30 -4.234 8.535 -1.135 1.00 0.00 H new ATOM 464 N ALA A 31 -3.559 4.464 -2.663 1.00 0.00 N ATOM 465 CA ALA A 31 -4.449 3.709 -3.590 1.00 0.00 C ATOM 466 C ALA A 31 -4.780 2.341 -2.985 1.00 0.00 C ATOM 467 O ALA A 31 -5.887 1.853 -3.105 1.00 0.00 O ATOM 468 CB ALA A 31 -3.736 3.510 -4.929 1.00 0.00 C ATOM 0 H ALA A 31 -2.638 4.695 -3.036 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.370 4.271 -3.744 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.385 2.958 -5.608 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.499 4.481 -5.363 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.815 2.949 -4.771 1.00 0.00 H new ATOM 474 N VAL A 32 -3.832 1.718 -2.340 1.00 0.00 N ATOM 475 CA VAL A 32 -4.098 0.382 -1.735 1.00 0.00 C ATOM 476 C VAL A 32 -5.170 0.521 -0.646 1.00 0.00 C ATOM 477 O VAL A 32 -6.103 -0.252 -0.582 1.00 0.00 O ATOM 478 CB VAL A 32 -2.800 -0.165 -1.123 1.00 0.00 C ATOM 479 CG1 VAL A 32 -3.065 -1.511 -0.432 1.00 0.00 C ATOM 480 CG2 VAL A 32 -1.760 -0.354 -2.234 1.00 0.00 C ATOM 0 H VAL A 32 -2.886 2.076 -2.206 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.453 -0.307 -2.502 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.427 0.543 -0.383 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.137 -1.888 -0.002 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.802 -1.375 0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.444 -2.226 -1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.836 -0.742 -1.805 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.141 -1.059 -2.973 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.562 0.604 -2.714 1.00 0.00 H new ATOM 490 N GLY A 33 -5.035 1.491 0.216 1.00 0.00 N ATOM 491 CA GLY A 33 -6.041 1.662 1.304 1.00 0.00 C ATOM 492 C GLY A 33 -7.427 1.900 0.702 1.00 0.00 C ATOM 493 O GLY A 33 -8.393 1.267 1.078 1.00 0.00 O ATOM 0 H GLY A 33 -4.275 2.171 0.215 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.058 0.775 1.938 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.762 2.503 1.940 1.00 0.00 H new ATOM 497 N SER A 34 -7.535 2.807 -0.231 1.00 0.00 N ATOM 498 CA SER A 34 -8.862 3.077 -0.854 1.00 0.00 C ATOM 499 C SER A 34 -9.361 1.820 -1.569 1.00 0.00 C ATOM 500 O SER A 34 -10.522 1.468 -1.490 1.00 0.00 O ATOM 501 CB SER A 34 -8.730 4.217 -1.864 1.00 0.00 C ATOM 502 OG SER A 34 -8.228 5.372 -1.205 1.00 0.00 O ATOM 0 H SER A 34 -6.764 3.371 -0.588 1.00 0.00 H new ATOM 0 HA SER A 34 -9.573 3.358 -0.077 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.060 3.926 -2.673 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.699 4.433 -2.314 1.00 0.00 H new ATOM 0 HG SER A 34 -7.261 5.281 -1.076 1.00 0.00 H new ATOM 508 N TYR A 35 -8.493 1.144 -2.272 1.00 0.00 N ATOM 509 CA TYR A 35 -8.917 -0.085 -3.001 1.00 0.00 C ATOM 510 C TYR A 35 -9.442 -1.115 -1.998 1.00 0.00 C ATOM 511 O TYR A 35 -10.500 -1.685 -2.173 1.00 0.00 O ATOM 512 CB TYR A 35 -7.711 -0.669 -3.742 1.00 0.00 C ATOM 513 CG TYR A 35 -8.128 -1.912 -4.503 1.00 0.00 C ATOM 514 CD1 TYR A 35 -8.607 -1.802 -5.816 1.00 0.00 C ATOM 515 CD2 TYR A 35 -8.037 -3.176 -3.899 1.00 0.00 C ATOM 516 CE1 TYR A 35 -8.990 -2.948 -6.523 1.00 0.00 C ATOM 517 CE2 TYR A 35 -8.423 -4.322 -4.607 1.00 0.00 C ATOM 518 CZ TYR A 35 -8.898 -4.206 -5.918 1.00 0.00 C ATOM 519 OH TYR A 35 -9.276 -5.333 -6.618 1.00 0.00 O ATOM 0 H TYR A 35 -7.508 1.390 -2.373 1.00 0.00 H new ATOM 0 HA TYR A 35 -9.704 0.163 -3.714 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.303 0.071 -4.431 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.921 -0.914 -3.033 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.681 -0.831 -6.283 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.669 -3.265 -2.888 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.356 -2.861 -7.535 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.354 -5.294 -4.141 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.150 -6.125 -6.055 1.00 0.00 H new ATOM 529 N LEU A 36 -8.707 -1.355 -0.948 1.00 0.00 N ATOM 530 CA LEU A 36 -9.159 -2.344 0.068 1.00 0.00 C ATOM 531 C LEU A 36 -10.446 -1.837 0.717 1.00 0.00 C ATOM 532 O LEU A 36 -11.350 -2.595 0.993 1.00 0.00 O ATOM 533 CB LEU A 36 -8.071 -2.516 1.135 1.00 0.00 C ATOM 534 CG LEU A 36 -6.807 -3.157 0.519 1.00 0.00 C ATOM 535 CD1 LEU A 36 -5.657 -3.080 1.534 1.00 0.00 C ATOM 536 CD2 LEU A 36 -7.061 -4.639 0.146 1.00 0.00 C ATOM 0 H LEU A 36 -7.812 -0.908 -0.750 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.345 -3.306 -0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.821 -1.547 1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.444 -3.141 1.946 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.549 -2.612 -0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.762 -3.531 1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.456 -2.037 1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.935 -3.618 2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.156 -5.066 -0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.335 -5.198 1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.871 -4.698 -0.580 1.00 0.00 H new ATOM 548 N ALA A 37 -10.537 -0.560 0.967 1.00 0.00 N ATOM 549 CA ALA A 37 -11.774 -0.018 1.598 1.00 0.00 C ATOM 550 C ALA A 37 -12.984 -0.346 0.715 1.00 0.00 C ATOM 551 O ALA A 37 -13.993 -0.829 1.187 1.00 0.00 O ATOM 552 CB ALA A 37 -11.646 1.501 1.744 1.00 0.00 C ATOM 0 H ALA A 37 -9.813 0.129 0.763 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.909 -0.469 2.581 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -12.550 1.900 2.205 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.785 1.735 2.370 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.512 1.951 0.760 1.00 0.00 H new ATOM 558 N LYS A 38 -12.895 -0.083 -0.561 1.00 0.00 N ATOM 559 CA LYS A 38 -14.045 -0.376 -1.470 1.00 0.00 C ATOM 560 C LYS A 38 -14.176 -1.888 -1.697 1.00 0.00 C ATOM 561 O LYS A 38 -15.239 -2.458 -1.549 1.00 0.00 O ATOM 562 CB LYS A 38 -13.794 0.310 -2.818 1.00 0.00 C ATOM 563 CG LYS A 38 -13.853 1.833 -2.645 1.00 0.00 C ATOM 564 CD LYS A 38 -13.377 2.527 -3.932 1.00 0.00 C ATOM 565 CE LYS A 38 -14.343 2.246 -5.096 1.00 0.00 C ATOM 566 NZ LYS A 38 -14.095 3.230 -6.187 1.00 0.00 N ATOM 0 H LYS A 38 -12.076 0.322 -1.015 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.964 -0.005 -1.016 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.820 0.017 -3.210 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.540 -0.012 -3.545 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.872 2.142 -2.411 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.227 2.136 -1.806 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.305 3.602 -3.765 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.378 2.177 -4.191 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.200 1.231 -5.466 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.375 2.318 -4.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.746 3.044 -6.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.252 4.193 -5.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.113 3.140 -6.519 1.00 0.00 H new ATOM 580 N ASN A 39 -13.106 -2.536 -2.069 1.00 0.00 N ATOM 581 CA ASN A 39 -13.162 -4.006 -2.325 1.00 0.00 C ATOM 582 C ASN A 39 -13.467 -4.748 -1.022 1.00 0.00 C ATOM 583 O ASN A 39 -14.213 -5.707 -1.004 1.00 0.00 O ATOM 584 CB ASN A 39 -11.812 -4.470 -2.882 1.00 0.00 C ATOM 585 CG ASN A 39 -11.620 -3.906 -4.292 1.00 0.00 C ATOM 586 OD1 ASN A 39 -12.202 -4.395 -5.240 1.00 0.00 O ATOM 587 ND2 ASN A 39 -10.828 -2.884 -4.468 1.00 0.00 N ATOM 0 H ASN A 39 -12.190 -2.109 -2.208 1.00 0.00 H new ATOM 0 HA ASN A 39 -13.950 -4.221 -3.047 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.004 -4.135 -2.232 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.771 -5.559 -2.906 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.697 -2.495 -5.402 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.340 -2.474 -3.672 1.00 0.00 H new ATOM 594 N ASP A 40 -12.879 -4.308 0.062 1.00 0.00 N ATOM 595 CA ASP A 40 -13.092 -4.962 1.397 1.00 0.00 C ATOM 596 C ASP A 40 -13.600 -3.916 2.401 1.00 0.00 C ATOM 597 O ASP A 40 -12.826 -3.343 3.142 1.00 0.00 O ATOM 598 CB ASP A 40 -11.752 -5.521 1.892 1.00 0.00 C ATOM 599 CG ASP A 40 -11.134 -6.406 0.807 1.00 0.00 C ATOM 600 OD1 ASP A 40 -11.886 -7.033 0.080 1.00 0.00 O ATOM 601 OD2 ASP A 40 -9.917 -6.440 0.721 1.00 0.00 O ATOM 0 H ASP A 40 -12.247 -3.507 0.082 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.823 -5.765 1.304 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.074 -4.704 2.139 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.902 -6.098 2.805 1.00 0.00 H new ATOM 606 N PRO A 41 -14.888 -3.662 2.438 1.00 0.00 N ATOM 607 CA PRO A 41 -15.472 -2.663 3.386 1.00 0.00 C ATOM 608 C PRO A 41 -15.092 -2.982 4.836 1.00 0.00 C ATOM 609 O PRO A 41 -15.002 -2.107 5.675 1.00 0.00 O ATOM 610 CB PRO A 41 -16.998 -2.787 3.159 1.00 0.00 C ATOM 611 CG PRO A 41 -17.126 -3.336 1.769 1.00 0.00 C ATOM 612 CD PRO A 41 -15.929 -4.279 1.594 1.00 0.00 C ATOM 0 HA PRO A 41 -15.104 -1.652 3.211 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -17.456 -3.451 3.892 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -17.493 -1.820 3.251 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -18.068 -3.869 1.642 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -17.109 -2.537 1.028 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -16.164 -5.292 1.920 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -15.616 -4.344 0.552 1.00 0.00 H new ATOM 620 N SER A 42 -14.872 -4.232 5.130 1.00 0.00 N ATOM 621 CA SER A 42 -14.501 -4.626 6.514 1.00 0.00 C ATOM 622 C SER A 42 -13.111 -4.079 6.849 1.00 0.00 C ATOM 623 O SER A 42 -12.690 -4.094 7.989 1.00 0.00 O ATOM 624 CB SER A 42 -14.473 -6.152 6.603 1.00 0.00 C ATOM 625 OG SER A 42 -13.506 -6.653 5.689 1.00 0.00 O ATOM 0 H SER A 42 -14.934 -5.003 4.465 1.00 0.00 H new ATOM 0 HA SER A 42 -15.229 -4.222 7.218 1.00 0.00 H new ATOM 0 HB2 SER A 42 -14.229 -6.465 7.618 1.00 0.00 H new ATOM 0 HB3 SER A 42 -15.457 -6.560 6.371 1.00 0.00 H new ATOM 0 HG SER A 42 -13.482 -7.631 5.742 1.00 0.00 H new ATOM 631 N PHE A 43 -12.390 -3.596 5.867 1.00 0.00 N ATOM 632 CA PHE A 43 -11.024 -3.055 6.137 1.00 0.00 C ATOM 633 C PHE A 43 -11.151 -1.677 6.798 1.00 0.00 C ATOM 634 O PHE A 43 -11.770 -0.777 6.263 1.00 0.00 O ATOM 635 CB PHE A 43 -10.250 -2.936 4.813 1.00 0.00 C ATOM 636 CG PHE A 43 -8.773 -2.718 5.099 1.00 0.00 C ATOM 637 CD1 PHE A 43 -8.023 -3.761 5.657 1.00 0.00 C ATOM 638 CD2 PHE A 43 -8.152 -1.492 4.810 1.00 0.00 C ATOM 639 CE1 PHE A 43 -6.662 -3.582 5.928 1.00 0.00 C ATOM 640 CE2 PHE A 43 -6.787 -1.316 5.082 1.00 0.00 C ATOM 641 CZ PHE A 43 -6.044 -2.362 5.640 1.00 0.00 C ATOM 0 H PHE A 43 -12.689 -3.553 4.893 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.484 -3.726 6.805 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -10.385 -3.840 4.219 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.642 -2.106 4.225 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.496 -4.706 5.879 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.725 -0.685 4.378 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.088 -4.388 6.361 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.310 -0.373 4.861 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.993 -2.227 5.848 1.00 0.00 H new ATOM 651 N ASP A 44 -10.577 -1.527 7.969 1.00 0.00 N ATOM 652 CA ASP A 44 -10.649 -0.227 8.723 1.00 0.00 C ATOM 653 C ASP A 44 -9.226 0.324 8.944 1.00 0.00 C ATOM 654 O ASP A 44 -8.603 0.028 9.946 1.00 0.00 O ATOM 655 CB ASP A 44 -11.299 -0.495 10.087 1.00 0.00 C ATOM 656 CG ASP A 44 -11.551 0.832 10.807 1.00 0.00 C ATOM 657 OD1 ASP A 44 -12.514 1.497 10.463 1.00 0.00 O ATOM 658 OD2 ASP A 44 -10.776 1.159 11.690 1.00 0.00 O ATOM 0 H ASP A 44 -10.052 -2.261 8.444 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.232 0.499 8.157 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.238 -1.032 9.954 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.651 -1.130 10.691 1.00 0.00 H new ATOM 663 N PRO A 45 -8.709 1.129 8.036 1.00 0.00 N ATOM 664 CA PRO A 45 -7.342 1.715 8.189 1.00 0.00 C ATOM 665 C PRO A 45 -7.277 2.633 9.420 1.00 0.00 C ATOM 666 O PRO A 45 -6.223 2.904 9.961 1.00 0.00 O ATOM 667 CB PRO A 45 -7.094 2.512 6.876 1.00 0.00 C ATOM 668 CG PRO A 45 -8.208 2.128 5.930 1.00 0.00 C ATOM 669 CD PRO A 45 -9.358 1.564 6.787 1.00 0.00 C ATOM 0 HA PRO A 45 -6.582 0.949 8.344 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.098 3.585 7.066 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.121 2.267 6.450 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -8.543 2.993 5.358 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.863 1.385 5.211 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -10.119 2.321 6.978 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -9.854 0.732 6.287 1.00 0.00 H new ATOM 677 N ARG A 46 -8.414 3.085 9.868 1.00 0.00 N ATOM 678 CA ARG A 46 -8.461 3.967 11.066 1.00 0.00 C ATOM 679 C ARG A 46 -7.929 3.195 12.277 1.00 0.00 C ATOM 680 O ARG A 46 -7.234 3.733 13.116 1.00 0.00 O ATOM 681 CB ARG A 46 -9.912 4.387 11.316 1.00 0.00 C ATOM 682 CG ARG A 46 -10.375 5.383 10.240 1.00 0.00 C ATOM 683 CD ARG A 46 -11.891 5.634 10.381 1.00 0.00 C ATOM 684 NE ARG A 46 -12.258 6.924 9.712 1.00 0.00 N ATOM 685 CZ ARG A 46 -13.494 7.158 9.342 1.00 0.00 C ATOM 686 NH1 ARG A 46 -14.395 6.211 9.386 1.00 0.00 N ATOM 687 NH2 ARG A 46 -13.820 8.343 8.904 1.00 0.00 N ATOM 0 H ARG A 46 -9.322 2.879 9.451 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.848 4.854 10.905 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -10.558 3.509 11.310 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.001 4.841 12.303 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.830 6.322 10.341 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.152 4.991 9.248 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.448 4.811 9.934 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.166 5.670 11.435 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.539 7.627 9.543 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -14.139 5.278 9.711 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.353 6.405 9.096 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.116 9.079 8.851 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.779 8.534 8.614 1.00 0.00 H new ATOM 701 N ASN A 47 -8.256 1.937 12.374 1.00 0.00 N ATOM 702 CA ASN A 47 -7.772 1.132 13.530 1.00 0.00 C ATOM 703 C ASN A 47 -6.242 1.104 13.503 1.00 0.00 C ATOM 704 O ASN A 47 -5.593 1.159 14.528 1.00 0.00 O ATOM 705 CB ASN A 47 -8.315 -0.301 13.431 1.00 0.00 C ATOM 706 CG ASN A 47 -9.819 -0.310 13.716 1.00 0.00 C ATOM 707 OD1 ASN A 47 -10.348 0.623 14.288 1.00 0.00 O ATOM 708 ND2 ASN A 47 -10.536 -1.335 13.342 1.00 0.00 N ATOM 0 H ASN A 47 -8.836 1.432 11.704 1.00 0.00 H new ATOM 0 HA ASN A 47 -8.121 1.578 14.461 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -8.122 -0.704 12.437 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -7.798 -0.945 14.142 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.538 -1.352 13.530 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -10.094 -2.119 12.862 1.00 0.00 H new ATOM 715 N TRP A 48 -5.658 1.020 12.332 1.00 0.00 N ATOM 716 CA TRP A 48 -4.167 0.988 12.229 1.00 0.00 C ATOM 717 C TRP A 48 -3.627 2.418 12.255 1.00 0.00 C ATOM 718 O TRP A 48 -2.462 2.657 12.017 1.00 0.00 O ATOM 719 CB TRP A 48 -3.770 0.311 10.918 1.00 0.00 C ATOM 720 CG TRP A 48 -4.234 -1.113 10.941 1.00 0.00 C ATOM 721 CD1 TRP A 48 -5.284 -1.605 10.243 1.00 0.00 C ATOM 722 CD2 TRP A 48 -3.687 -2.231 11.698 1.00 0.00 C ATOM 723 NE1 TRP A 48 -5.412 -2.954 10.520 1.00 0.00 N ATOM 724 CE2 TRP A 48 -4.451 -3.387 11.411 1.00 0.00 C ATOM 725 CE3 TRP A 48 -2.611 -2.352 12.596 1.00 0.00 C ATOM 726 CZ2 TRP A 48 -4.157 -4.621 11.994 1.00 0.00 C ATOM 727 CZ3 TRP A 48 -2.312 -3.592 13.184 1.00 0.00 C ATOM 728 CH2 TRP A 48 -3.084 -4.723 12.884 1.00 0.00 C ATOM 0 H TRP A 48 -6.152 0.972 11.441 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.750 0.430 13.067 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -4.214 0.838 10.073 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.689 0.352 10.786 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.918 -1.037 9.578 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.129 -3.556 10.115 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -2.011 -1.486 12.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -4.754 -5.490 11.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.483 -3.675 13.871 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.850 -5.673 13.341 1.00 0.00 H new ATOM 739 N GLY A 49 -4.471 3.367 12.552 1.00 0.00 N ATOM 740 CA GLY A 49 -4.019 4.787 12.605 1.00 0.00 C ATOM 741 C GLY A 49 -3.686 5.275 11.195 1.00 0.00 C ATOM 742 O GLY A 49 -3.299 4.509 10.336 1.00 0.00 O ATOM 0 H GLY A 49 -5.458 3.220 12.761 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.799 5.411 13.041 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.143 4.876 13.247 1.00 0.00 H new ATOM 746 N HIS A 50 -3.831 6.551 10.953 1.00 0.00 N ATOM 747 CA HIS A 50 -3.522 7.104 9.599 1.00 0.00 C ATOM 748 C HIS A 50 -2.008 7.273 9.448 1.00 0.00 C ATOM 749 O HIS A 50 -1.307 7.557 10.399 1.00 0.00 O ATOM 750 CB HIS A 50 -4.206 8.466 9.439 1.00 0.00 C ATOM 751 CG HIS A 50 -3.943 9.006 8.060 1.00 0.00 C ATOM 752 ND1 HIS A 50 -4.474 8.418 6.923 1.00 0.00 N ATOM 753 CD2 HIS A 50 -3.211 10.081 7.619 1.00 0.00 C ATOM 754 CE1 HIS A 50 -4.058 9.137 5.863 1.00 0.00 C ATOM 755 NE2 HIS A 50 -3.285 10.162 6.232 1.00 0.00 N ATOM 0 H HIS A 50 -4.151 7.237 11.636 1.00 0.00 H new ATOM 0 HA HIS A 50 -3.888 6.419 8.834 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -5.279 8.366 9.603 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -3.832 9.162 10.190 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.661 10.761 8.253 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -4.318 8.912 4.839 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -2.844 10.855 5.627 1.00 0.00 H new ATOM 763 N GLY A 51 -1.500 7.110 8.255 1.00 0.00 N ATOM 764 CA GLY A 51 -0.032 7.271 8.031 1.00 0.00 C ATOM 765 C GLY A 51 0.729 6.090 8.640 1.00 0.00 C ATOM 766 O GLY A 51 1.683 5.598 8.068 1.00 0.00 O ATOM 0 H GLY A 51 -2.040 6.872 7.423 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.175 7.335 6.963 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.311 8.204 8.478 1.00 0.00 H new ATOM 770 N ARG A 52 0.326 5.634 9.796 1.00 0.00 N ATOM 771 CA ARG A 52 1.046 4.493 10.431 1.00 0.00 C ATOM 772 C ARG A 52 0.823 3.236 9.590 1.00 0.00 C ATOM 773 O ARG A 52 1.391 2.194 9.848 1.00 0.00 O ATOM 774 CB ARG A 52 0.500 4.251 11.841 1.00 0.00 C ATOM 775 CG ARG A 52 0.785 5.461 12.744 1.00 0.00 C ATOM 776 CD ARG A 52 0.235 5.187 14.158 1.00 0.00 C ATOM 777 NE ARG A 52 0.177 6.462 14.938 1.00 0.00 N ATOM 778 CZ ARG A 52 0.028 6.436 16.240 1.00 0.00 C ATOM 779 NH1 ARG A 52 0.049 5.298 16.881 1.00 0.00 N ATOM 780 NH2 ARG A 52 -0.131 7.553 16.900 1.00 0.00 N ATOM 0 H ARG A 52 -0.466 6.000 10.325 1.00 0.00 H new ATOM 0 HA ARG A 52 2.109 4.725 10.491 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.574 4.069 11.795 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.957 3.357 12.266 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.858 5.650 12.790 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.321 6.356 12.329 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.759 4.746 14.092 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.870 4.465 14.671 1.00 0.00 H new ATOM 0 HE ARG A 52 0.254 7.357 14.454 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.182 4.426 16.368 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.067 5.281 17.894 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.139 8.443 16.402 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.247 7.535 17.913 1.00 0.00 H new ATOM 794 N LEU A 53 0.007 3.331 8.575 1.00 0.00 N ATOM 795 CA LEU A 53 -0.244 2.146 7.709 1.00 0.00 C ATOM 796 C LEU A 53 1.078 1.748 7.045 1.00 0.00 C ATOM 797 O LEU A 53 1.402 0.581 6.924 1.00 0.00 O ATOM 798 CB LEU A 53 -1.291 2.510 6.641 1.00 0.00 C ATOM 799 CG LEU A 53 -1.610 1.301 5.736 1.00 0.00 C ATOM 800 CD1 LEU A 53 -2.253 0.154 6.550 1.00 0.00 C ATOM 801 CD2 LEU A 53 -2.574 1.762 4.630 1.00 0.00 C ATOM 0 H LEU A 53 -0.496 4.178 8.309 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.624 1.311 8.299 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.204 2.855 7.126 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.922 3.335 6.033 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.685 0.923 5.301 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.468 -0.685 5.889 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.565 -0.167 7.332 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.180 0.505 7.004 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.811 0.920 3.980 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.491 2.141 5.081 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.104 2.552 4.044 1.00 0.00 H new ATOM 813 N SER A 54 1.845 2.714 6.615 1.00 0.00 N ATOM 814 CA SER A 54 3.147 2.400 5.965 1.00 0.00 C ATOM 815 C SER A 54 4.037 1.645 6.955 1.00 0.00 C ATOM 816 O SER A 54 4.694 0.685 6.607 1.00 0.00 O ATOM 817 CB SER A 54 3.837 3.700 5.552 1.00 0.00 C ATOM 818 OG SER A 54 5.062 3.395 4.898 1.00 0.00 O ATOM 0 H SER A 54 1.625 3.707 6.687 1.00 0.00 H new ATOM 0 HA SER A 54 2.975 1.784 5.083 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.190 4.273 4.888 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.024 4.320 6.429 1.00 0.00 H new ATOM 0 HG SER A 54 5.227 4.052 4.190 1.00 0.00 H new ATOM 824 N GLN A 55 4.065 2.075 8.184 1.00 0.00 N ATOM 825 CA GLN A 55 4.910 1.385 9.199 1.00 0.00 C ATOM 826 C GLN A 55 4.324 -0.001 9.499 1.00 0.00 C ATOM 827 O GLN A 55 5.033 -0.910 9.886 1.00 0.00 O ATOM 828 CB GLN A 55 4.949 2.226 10.487 1.00 0.00 C ATOM 829 CG GLN A 55 5.848 3.453 10.288 1.00 0.00 C ATOM 830 CD GLN A 55 5.299 4.318 9.150 1.00 0.00 C ATOM 831 OE1 GLN A 55 4.104 4.503 9.035 1.00 0.00 O ATOM 832 NE2 GLN A 55 6.130 4.858 8.300 1.00 0.00 N ATOM 0 H GLN A 55 3.538 2.876 8.531 1.00 0.00 H new ATOM 0 HA GLN A 55 5.923 1.268 8.814 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.941 2.543 10.754 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.323 1.622 11.314 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.895 4.034 11.209 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.865 3.137 10.058 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.133 4.702 8.398 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.776 5.436 7.538 1.00 0.00 H new ATOM 841 N MET A 56 3.039 -0.175 9.333 1.00 0.00 N ATOM 842 CA MET A 56 2.428 -1.507 9.620 1.00 0.00 C ATOM 843 C MET A 56 2.997 -2.550 8.651 1.00 0.00 C ATOM 844 O MET A 56 3.412 -3.620 9.049 1.00 0.00 O ATOM 845 CB MET A 56 0.908 -1.415 9.439 1.00 0.00 C ATOM 846 CG MET A 56 0.247 -2.750 9.809 1.00 0.00 C ATOM 847 SD MET A 56 -1.548 -2.609 9.603 1.00 0.00 S ATOM 848 CE MET A 56 -1.645 -3.102 7.862 1.00 0.00 C ATOM 0 H MET A 56 2.389 0.543 9.013 1.00 0.00 H new ATOM 0 HA MET A 56 2.657 -1.802 10.644 1.00 0.00 H new ATOM 0 HB2 MET A 56 0.508 -0.617 10.065 1.00 0.00 H new ATOM 0 HB3 MET A 56 0.673 -1.158 8.406 1.00 0.00 H new ATOM 0 HG2 MET A 56 0.635 -3.548 9.177 1.00 0.00 H new ATOM 0 HG3 MET A 56 0.486 -3.014 10.839 1.00 0.00 H new ATOM 0 HE1 MET A 56 -2.677 -3.029 7.520 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.017 -2.444 7.262 1.00 0.00 H new ATOM 0 HE3 MET A 56 -1.299 -4.130 7.755 1.00 0.00 H new ATOM 858 N VAL A 57 3.011 -2.247 7.379 1.00 0.00 N ATOM 859 CA VAL A 57 3.544 -3.223 6.382 1.00 0.00 C ATOM 860 C VAL A 57 5.058 -3.361 6.557 1.00 0.00 C ATOM 861 O VAL A 57 5.652 -4.349 6.176 1.00 0.00 O ATOM 862 CB VAL A 57 3.223 -2.734 4.961 1.00 0.00 C ATOM 863 CG1 VAL A 57 1.715 -2.825 4.714 1.00 0.00 C ATOM 864 CG2 VAL A 57 3.671 -1.278 4.803 1.00 0.00 C ATOM 0 H VAL A 57 2.677 -1.366 6.987 1.00 0.00 H new ATOM 0 HA VAL A 57 3.077 -4.195 6.540 1.00 0.00 H new ATOM 0 HB VAL A 57 3.751 -3.359 4.241 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.490 -2.478 3.706 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.390 -3.860 4.822 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.189 -2.202 5.438 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.442 -0.934 3.794 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.145 -0.655 5.527 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.745 -1.207 4.975 1.00 0.00 H new ATOM 874 N LYS A 58 5.681 -2.371 7.126 1.00 0.00 N ATOM 875 CA LYS A 58 7.155 -2.424 7.329 1.00 0.00 C ATOM 876 C LYS A 58 7.497 -3.585 8.263 1.00 0.00 C ATOM 877 O LYS A 58 8.569 -4.152 8.197 1.00 0.00 O ATOM 878 CB LYS A 58 7.620 -1.100 7.948 1.00 0.00 C ATOM 879 CG LYS A 58 9.153 -1.034 7.954 1.00 0.00 C ATOM 880 CD LYS A 58 9.627 0.241 8.672 1.00 0.00 C ATOM 881 CE LYS A 58 9.282 1.501 7.854 1.00 0.00 C ATOM 882 NZ LYS A 58 10.071 2.654 8.373 1.00 0.00 N ATOM 0 H LYS A 58 5.230 -1.520 7.462 1.00 0.00 H new ATOM 0 HA LYS A 58 7.659 -2.576 6.374 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.214 -0.262 7.382 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.240 -1.011 8.966 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.560 -1.914 8.453 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.529 -1.045 6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.160 0.303 9.655 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.704 0.192 8.833 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.506 1.337 6.800 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.215 1.714 7.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.842 3.507 7.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.836 2.813 9.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.086 2.448 8.284 1.00 0.00 H new ATOM 896 N LYS A 59 6.597 -3.940 9.142 1.00 0.00 N ATOM 897 CA LYS A 59 6.873 -5.059 10.090 1.00 0.00 C ATOM 898 C LYS A 59 6.710 -6.397 9.365 1.00 0.00 C ATOM 899 O LYS A 59 6.966 -7.447 9.921 1.00 0.00 O ATOM 900 CB LYS A 59 5.874 -4.986 11.246 1.00 0.00 C ATOM 901 CG LYS A 59 6.100 -3.691 12.032 1.00 0.00 C ATOM 902 CD LYS A 59 5.076 -3.592 13.165 1.00 0.00 C ATOM 903 CE LYS A 59 5.305 -2.295 13.943 1.00 0.00 C ATOM 904 NZ LYS A 59 4.302 -2.188 15.039 1.00 0.00 N ATOM 0 H LYS A 59 5.681 -3.502 9.244 1.00 0.00 H new ATOM 0 HA LYS A 59 7.891 -4.976 10.471 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.854 -5.018 10.863 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.996 -5.848 11.902 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.111 -3.673 12.439 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.008 -2.831 11.369 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.065 -3.612 12.759 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.169 -4.450 13.831 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.314 -2.280 14.356 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.221 -1.438 13.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.458 -1.306 15.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.344 -2.184 14.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.402 -2.999 15.682 1.00 0.00 H new ATOM 918 N LEU A 60 6.292 -6.367 8.119 1.00 0.00 N ATOM 919 CA LEU A 60 6.113 -7.633 7.329 1.00 0.00 C ATOM 920 C LEU A 60 7.331 -7.829 6.418 1.00 0.00 C ATOM 921 O LEU A 60 7.538 -7.096 5.472 1.00 0.00 O ATOM 922 CB LEU A 60 4.842 -7.520 6.483 1.00 0.00 C ATOM 923 CG LEU A 60 3.649 -7.111 7.366 1.00 0.00 C ATOM 924 CD1 LEU A 60 2.392 -7.002 6.494 1.00 0.00 C ATOM 925 CD2 LEU A 60 3.421 -8.150 8.486 1.00 0.00 C ATOM 0 H LEU A 60 6.065 -5.512 7.611 1.00 0.00 H new ATOM 0 HA LEU A 60 6.023 -8.486 8.001 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.987 -6.784 5.692 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.634 -8.473 5.997 1.00 0.00 H new ATOM 0 HG LEU A 60 3.863 -6.148 7.829 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.543 -6.713 7.114 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.550 -6.250 5.721 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.188 -7.966 6.027 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.574 -7.844 9.100 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.214 -9.124 8.042 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.314 -8.217 9.108 1.00 0.00 H new ATOM 937 N ASP A 61 8.146 -8.802 6.717 1.00 0.00 N ATOM 938 CA ASP A 61 9.371 -9.052 5.898 1.00 0.00 C ATOM 939 C ASP A 61 9.005 -9.470 4.463 1.00 0.00 C ATOM 940 O ASP A 61 9.668 -9.090 3.519 1.00 0.00 O ATOM 941 CB ASP A 61 10.197 -10.168 6.559 1.00 0.00 C ATOM 942 CG ASP A 61 10.818 -9.661 7.866 1.00 0.00 C ATOM 943 OD1 ASP A 61 10.831 -8.456 8.070 1.00 0.00 O ATOM 944 OD2 ASP A 61 11.271 -10.486 8.642 1.00 0.00 O ATOM 0 H ASP A 61 8.017 -9.442 7.501 1.00 0.00 H new ATOM 0 HA ASP A 61 9.949 -8.129 5.848 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.562 -11.031 6.760 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.982 -10.501 5.880 1.00 0.00 H new ATOM 949 N PHE A 62 7.987 -10.274 4.288 1.00 0.00 N ATOM 950 CA PHE A 62 7.630 -10.736 2.909 1.00 0.00 C ATOM 951 C PHE A 62 7.049 -9.588 2.069 1.00 0.00 C ATOM 952 O PHE A 62 6.409 -9.816 1.063 1.00 0.00 O ATOM 953 CB PHE A 62 6.621 -11.887 2.995 1.00 0.00 C ATOM 954 CG PHE A 62 5.359 -11.427 3.696 1.00 0.00 C ATOM 955 CD1 PHE A 62 5.274 -11.490 5.093 1.00 0.00 C ATOM 956 CD2 PHE A 62 4.270 -10.953 2.951 1.00 0.00 C ATOM 957 CE1 PHE A 62 4.104 -11.078 5.743 1.00 0.00 C ATOM 958 CE2 PHE A 62 3.103 -10.540 3.602 1.00 0.00 C ATOM 959 CZ PHE A 62 3.019 -10.603 4.997 1.00 0.00 C ATOM 0 H PHE A 62 7.390 -10.630 5.034 1.00 0.00 H new ATOM 0 HA PHE A 62 8.539 -11.083 2.419 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.380 -12.244 1.994 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.060 -12.726 3.535 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.111 -11.856 5.669 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.332 -10.907 1.874 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.039 -11.127 6.820 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.266 -10.172 3.027 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.117 -10.285 5.498 1.00 0.00 H new ATOM 969 N LEU A 63 7.288 -8.356 2.461 1.00 0.00 N ATOM 970 CA LEU A 63 6.778 -7.175 1.676 1.00 0.00 C ATOM 971 C LEU A 63 7.878 -6.108 1.615 1.00 0.00 C ATOM 972 O LEU A 63 8.408 -5.686 2.622 1.00 0.00 O ATOM 973 CB LEU A 63 5.518 -6.600 2.365 1.00 0.00 C ATOM 974 CG LEU A 63 4.259 -7.449 2.017 1.00 0.00 C ATOM 975 CD1 LEU A 63 3.197 -7.289 3.113 1.00 0.00 C ATOM 976 CD2 LEU A 63 3.650 -6.983 0.679 1.00 0.00 C ATOM 0 H LEU A 63 7.819 -8.113 3.298 1.00 0.00 H new ATOM 0 HA LEU A 63 6.515 -7.485 0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.664 -6.584 3.445 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.365 -5.568 2.049 1.00 0.00 H new ATOM 0 HG LEU A 63 4.565 -8.492 1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.321 -7.886 2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.604 -7.627 4.066 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.911 -6.240 3.192 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.771 -7.586 0.450 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.361 -5.935 0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.387 -7.099 -0.116 1.00 0.00 H new ATOM 988 N THR A 64 8.215 -5.665 0.432 1.00 0.00 N ATOM 989 CA THR A 64 9.271 -4.618 0.280 1.00 0.00 C ATOM 990 C THR A 64 8.609 -3.241 0.365 1.00 0.00 C ATOM 991 O THR A 64 7.618 -2.989 -0.291 1.00 0.00 O ATOM 992 CB THR A 64 9.943 -4.782 -1.087 1.00 0.00 C ATOM 993 OG1 THR A 64 10.420 -6.113 -1.218 1.00 0.00 O ATOM 994 CG2 THR A 64 11.115 -3.809 -1.206 1.00 0.00 C ATOM 0 H THR A 64 7.801 -5.986 -0.443 1.00 0.00 H new ATOM 0 HA THR A 64 10.020 -4.717 1.066 1.00 0.00 H new ATOM 0 HB THR A 64 9.219 -4.571 -1.874 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.849 -6.222 -2.092 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.590 -3.929 -2.180 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.751 -2.787 -1.103 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.841 -4.016 -0.420 1.00 0.00 H new ATOM 1002 N VAL A 65 9.145 -2.351 1.174 1.00 0.00 N ATOM 1003 CA VAL A 65 8.549 -0.976 1.324 1.00 0.00 C ATOM 1004 C VAL A 65 9.544 0.066 0.813 1.00 0.00 C ATOM 1005 O VAL A 65 10.702 0.070 1.179 1.00 0.00 O ATOM 1006 CB VAL A 65 8.263 -0.709 2.808 1.00 0.00 C ATOM 1007 CG1 VAL A 65 7.641 0.685 2.979 1.00 0.00 C ATOM 1008 CG2 VAL A 65 7.292 -1.771 3.339 1.00 0.00 C ATOM 0 H VAL A 65 9.976 -2.519 1.741 1.00 0.00 H new ATOM 0 HA VAL A 65 7.624 -0.914 0.751 1.00 0.00 H new ATOM 0 HB VAL A 65 9.198 -0.754 3.367 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.441 0.867 4.035 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.332 1.440 2.605 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.708 0.738 2.418 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.088 -1.583 4.393 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.360 -1.726 2.775 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.737 -2.760 3.227 1.00 0.00 H new ATOM 1018 N GLN A 66 9.085 0.961 -0.027 1.00 0.00 N ATOM 1019 CA GLN A 66 9.972 2.035 -0.579 1.00 0.00 C ATOM 1020 C GLN A 66 9.164 3.326 -0.682 1.00 0.00 C ATOM 1021 O GLN A 66 7.955 3.301 -0.805 1.00 0.00 O ATOM 1022 CB GLN A 66 10.471 1.634 -1.970 1.00 0.00 C ATOM 1023 CG GLN A 66 11.398 0.421 -1.847 1.00 0.00 C ATOM 1024 CD GLN A 66 11.977 0.063 -3.220 1.00 0.00 C ATOM 1025 OE1 GLN A 66 11.450 0.577 -4.297 1.00 0.00 O flip ATOM 1026 NE2 GLN A 66 12.922 -0.694 -3.311 1.00 0.00 N flip ATOM 0 H GLN A 66 8.121 0.994 -0.359 1.00 0.00 H new ATOM 0 HA GLN A 66 10.831 2.179 0.077 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.627 1.396 -2.617 1.00 0.00 H new ATOM 0 HB3 GLN A 66 11.002 2.466 -2.432 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.206 0.639 -1.148 1.00 0.00 H new ATOM 0 HG3 GLN A 66 10.847 -0.428 -1.443 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.335 -1.097 -2.470 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.302 -0.927 -4.228 1.00 0.00 H new ATOM 1035 N GLU A 67 9.827 4.456 -0.626 1.00 0.00 N ATOM 1036 CA GLU A 67 9.122 5.779 -0.710 1.00 0.00 C ATOM 1037 C GLU A 67 9.404 6.414 -2.072 1.00 0.00 C ATOM 1038 O GLU A 67 10.534 6.708 -2.407 1.00 0.00 O ATOM 1039 CB GLU A 67 9.663 6.697 0.395 1.00 0.00 C ATOM 1040 CG GLU A 67 9.237 6.165 1.770 1.00 0.00 C ATOM 1041 CD GLU A 67 9.985 4.865 2.086 1.00 0.00 C ATOM 1042 OE1 GLU A 67 11.049 4.662 1.523 1.00 0.00 O ATOM 1043 OE2 GLU A 67 9.484 4.096 2.889 1.00 0.00 O ATOM 0 H GLU A 67 10.840 4.521 -0.524 1.00 0.00 H new ATOM 0 HA GLU A 67 8.048 5.638 -0.587 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.750 6.750 0.336 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.287 7.710 0.255 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.446 6.910 2.538 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.162 5.987 1.783 1.00 0.00 H new ATOM 1050 N SER A 68 8.380 6.651 -2.855 1.00 0.00 N ATOM 1051 CA SER A 68 8.583 7.291 -4.189 1.00 0.00 C ATOM 1052 C SER A 68 8.603 8.804 -4.002 1.00 0.00 C ATOM 1053 O SER A 68 8.048 9.326 -3.050 1.00 0.00 O ATOM 1054 CB SER A 68 7.434 6.909 -5.126 1.00 0.00 C ATOM 1055 OG SER A 68 7.260 5.499 -5.108 1.00 0.00 O ATOM 0 H SER A 68 7.411 6.428 -2.626 1.00 0.00 H new ATOM 0 HA SER A 68 9.523 6.953 -4.624 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.515 7.404 -4.813 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.649 7.247 -6.140 1.00 0.00 H new ATOM 0 HG SER A 68 6.638 5.237 -5.818 1.00 0.00 H new ATOM 1061 N ARG A 69 9.228 9.518 -4.904 1.00 0.00 N ATOM 1062 CA ARG A 69 9.282 11.007 -4.788 1.00 0.00 C ATOM 1063 C ARG A 69 8.112 11.609 -5.577 1.00 0.00 C ATOM 1064 O ARG A 69 8.254 12.020 -6.712 1.00 0.00 O ATOM 1065 CB ARG A 69 10.628 11.500 -5.353 1.00 0.00 C ATOM 1066 CG ARG A 69 10.996 10.733 -6.653 1.00 0.00 C ATOM 1067 CD ARG A 69 12.148 11.462 -7.431 1.00 0.00 C ATOM 1068 NE ARG A 69 13.406 10.627 -7.451 1.00 0.00 N ATOM 1069 CZ ARG A 69 14.611 11.188 -7.428 1.00 0.00 C ATOM 1070 NH1 ARG A 69 14.781 12.440 -7.081 1.00 0.00 N ATOM 1071 NH2 ARG A 69 15.663 10.470 -7.696 1.00 0.00 N ATOM 0 H ARG A 69 9.705 9.132 -5.719 1.00 0.00 H new ATOM 0 HA ARG A 69 9.201 11.316 -3.746 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.571 12.569 -5.560 1.00 0.00 H new ATOM 0 HB3 ARG A 69 11.412 11.361 -4.609 1.00 0.00 H new ATOM 0 HG2 ARG A 69 11.306 9.718 -6.405 1.00 0.00 H new ATOM 0 HG3 ARG A 69 10.117 10.651 -7.292 1.00 0.00 H new ATOM 0 HD2 ARG A 69 11.828 11.667 -8.453 1.00 0.00 H new ATOM 0 HD3 ARG A 69 12.354 12.424 -6.963 1.00 0.00 H new ATOM 0 HE ARG A 69 13.330 9.610 -7.483 1.00 0.00 H new ATOM 0 HH11 ARG A 69 13.977 13.010 -6.819 1.00 0.00 H new ATOM 0 HH12 ARG A 69 15.717 12.844 -7.072 1.00 0.00 H new ATOM 0 HH21 ARG A 69 15.561 9.481 -7.923 1.00 0.00 H new ATOM 0 HH22 ARG A 69 16.589 10.897 -7.679 1.00 0.00 H new ATOM 1085 N ASN A 70 6.951 11.665 -4.970 1.00 0.00 N ATOM 1086 CA ASN A 70 5.750 12.235 -5.659 1.00 0.00 C ATOM 1087 C ASN A 70 5.613 13.719 -5.304 1.00 0.00 C ATOM 1088 O ASN A 70 5.206 14.077 -4.215 1.00 0.00 O ATOM 1089 CB ASN A 70 4.506 11.481 -5.185 1.00 0.00 C ATOM 1090 CG ASN A 70 3.281 11.957 -5.968 1.00 0.00 C ATOM 1091 OD1 ASN A 70 3.247 13.072 -6.446 1.00 0.00 O ATOM 1092 ND2 ASN A 70 2.266 11.149 -6.123 1.00 0.00 N ATOM 0 H ASN A 70 6.783 11.337 -4.019 1.00 0.00 H new ATOM 0 HA ASN A 70 5.858 12.132 -6.739 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.644 10.409 -5.325 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.354 11.646 -4.118 1.00 0.00 H new ATOM 0 HD21 ASN A 70 1.445 11.455 -6.646 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.294 10.212 -5.721 1.00 0.00 H new ATOM 1099 N GLY A 71 5.950 14.583 -6.220 1.00 0.00 N ATOM 1100 CA GLY A 71 5.838 16.041 -5.947 1.00 0.00 C ATOM 1101 C GLY A 71 6.685 16.403 -4.726 1.00 0.00 C ATOM 1102 O GLY A 71 7.763 15.881 -4.528 1.00 0.00 O ATOM 0 H GLY A 71 6.299 14.341 -7.147 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.172 16.610 -6.815 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.796 16.309 -5.771 1.00 0.00 H new ATOM 1106 N SER A 72 6.201 17.299 -3.906 1.00 0.00 N ATOM 1107 CA SER A 72 6.967 17.713 -2.688 1.00 0.00 C ATOM 1108 C SER A 72 6.652 16.763 -1.532 1.00 0.00 C ATOM 1109 O SER A 72 7.251 16.845 -0.478 1.00 0.00 O ATOM 1110 CB SER A 72 6.550 19.132 -2.294 1.00 0.00 C ATOM 1111 OG SER A 72 5.208 19.112 -1.827 1.00 0.00 O ATOM 0 H SER A 72 5.302 17.766 -4.027 1.00 0.00 H new ATOM 0 HA SER A 72 8.035 17.681 -2.904 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.212 19.516 -1.518 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.640 19.801 -3.150 1.00 0.00 H new ATOM 0 HG SER A 72 4.937 20.019 -1.572 1.00 0.00 H new ATOM 1117 N LYS A 73 5.713 15.862 -1.721 1.00 0.00 N ATOM 1118 CA LYS A 73 5.336 14.893 -0.634 1.00 0.00 C ATOM 1119 C LYS A 73 5.884 13.506 -0.968 1.00 0.00 C ATOM 1120 O LYS A 73 5.884 13.080 -2.107 1.00 0.00 O ATOM 1121 CB LYS A 73 3.809 14.822 -0.537 1.00 0.00 C ATOM 1122 CG LYS A 73 3.263 16.164 -0.037 1.00 0.00 C ATOM 1123 CD LYS A 73 1.725 16.168 -0.096 1.00 0.00 C ATOM 1124 CE LYS A 73 1.129 15.180 0.925 1.00 0.00 C ATOM 1125 NZ LYS A 73 -0.311 15.501 1.132 1.00 0.00 N ATOM 0 H LYS A 73 5.187 15.755 -2.588 1.00 0.00 H new ATOM 0 HA LYS A 73 5.755 15.228 0.315 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.383 14.585 -1.512 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.514 14.022 0.142 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.595 16.342 0.986 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.660 16.976 -0.647 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.353 17.173 0.105 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.396 15.901 -1.100 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.238 14.157 0.566 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.668 15.245 1.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.719 14.837 1.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.402 16.473 1.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.819 15.418 0.228 1.00 0.00 H new ATOM 1139 N LEU A 74 6.340 12.792 0.027 1.00 0.00 N ATOM 1140 CA LEU A 74 6.881 11.417 -0.203 1.00 0.00 C ATOM 1141 C LEU A 74 5.735 10.422 -0.028 1.00 0.00 C ATOM 1142 O LEU A 74 5.090 10.386 1.001 1.00 0.00 O ATOM 1143 CB LEU A 74 7.977 11.124 0.830 1.00 0.00 C ATOM 1144 CG LEU A 74 9.183 12.071 0.625 1.00 0.00 C ATOM 1145 CD1 LEU A 74 10.127 11.958 1.832 1.00 0.00 C ATOM 1146 CD2 LEU A 74 9.956 11.707 -0.667 1.00 0.00 C ATOM 0 H LEU A 74 6.362 13.104 0.998 1.00 0.00 H new ATOM 0 HA LEU A 74 7.304 11.335 -1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.578 11.247 1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.302 10.087 0.740 1.00 0.00 H new ATOM 0 HG LEU A 74 8.813 13.092 0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 74 10.978 12.624 1.692 1.00 0.00 H new ATOM 0 HD12 LEU A 74 9.592 12.239 2.739 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.481 10.931 1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.799 12.386 -0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.322 10.683 -0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.291 11.795 -1.526 1.00 0.00 H new ATOM 1158 N HIS A 75 5.472 9.620 -1.033 1.00 0.00 N ATOM 1159 CA HIS A 75 4.355 8.620 -0.953 1.00 0.00 C ATOM 1160 C HIS A 75 4.935 7.238 -0.673 1.00 0.00 C ATOM 1161 O HIS A 75 5.917 6.833 -1.262 1.00 0.00 O ATOM 1162 CB HIS A 75 3.604 8.600 -2.291 1.00 0.00 C ATOM 1163 CG HIS A 75 2.868 9.903 -2.481 1.00 0.00 C ATOM 1164 ND1 HIS A 75 2.100 10.162 -3.606 1.00 0.00 N ATOM 1165 CD2 HIS A 75 2.768 11.026 -1.695 1.00 0.00 C ATOM 1166 CE1 HIS A 75 1.575 11.394 -3.466 1.00 0.00 C ATOM 1167 NE2 HIS A 75 1.951 11.964 -2.318 1.00 0.00 N ATOM 0 H HIS A 75 5.987 9.614 -1.913 1.00 0.00 H new ATOM 0 HA HIS A 75 3.669 8.894 -0.152 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.306 8.445 -3.111 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.901 7.768 -2.312 1.00 0.00 H new ATOM 0 HD2 HIS A 75 3.251 11.160 -0.738 1.00 0.00 H new ATOM 0 HE1 HIS A 75 0.929 11.864 -4.193 1.00 0.00 H new ATOM 0 HE2 HIS A 75 1.694 12.889 -1.972 1.00 0.00 H new ATOM 1175 N SER A 76 4.333 6.509 0.229 1.00 0.00 N ATOM 1176 CA SER A 76 4.833 5.145 0.559 1.00 0.00 C ATOM 1177 C SER A 76 4.360 4.163 -0.517 1.00 0.00 C ATOM 1178 O SER A 76 3.299 4.323 -1.088 1.00 0.00 O ATOM 1179 CB SER A 76 4.275 4.721 1.923 1.00 0.00 C ATOM 1180 OG SER A 76 4.951 5.439 2.948 1.00 0.00 O ATOM 0 H SER A 76 3.510 6.804 0.755 1.00 0.00 H new ATOM 0 HA SER A 76 5.922 5.147 0.596 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.204 4.919 1.969 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.407 3.648 2.066 1.00 0.00 H new ATOM 0 HG SER A 76 4.309 5.705 3.639 1.00 0.00 H new ATOM 1186 N GLU A 77 5.140 3.143 -0.786 1.00 0.00 N ATOM 1187 CA GLU A 77 4.757 2.119 -1.816 1.00 0.00 C ATOM 1188 C GLU A 77 5.088 0.735 -1.266 1.00 0.00 C ATOM 1189 O GLU A 77 5.951 0.579 -0.427 1.00 0.00 O ATOM 1190 CB GLU A 77 5.554 2.336 -3.115 1.00 0.00 C ATOM 1191 CG GLU A 77 5.101 3.632 -3.810 1.00 0.00 C ATOM 1192 CD GLU A 77 5.643 4.854 -3.064 1.00 0.00 C ATOM 1193 OE1 GLU A 77 6.482 4.679 -2.196 1.00 0.00 O ATOM 1194 OE2 GLU A 77 5.224 5.948 -3.398 1.00 0.00 O ATOM 0 H GLU A 77 6.037 2.973 -0.331 1.00 0.00 H new ATOM 0 HA GLU A 77 3.693 2.210 -2.034 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.619 2.389 -2.891 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.410 1.487 -3.784 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.453 3.642 -4.841 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.012 3.672 -3.845 1.00 0.00 H new ATOM 1201 N ILE A 78 4.405 -0.273 -1.747 1.00 0.00 N ATOM 1202 CA ILE A 78 4.655 -1.676 -1.285 1.00 0.00 C ATOM 1203 C ILE A 78 4.720 -2.603 -2.494 1.00 0.00 C ATOM 1204 O ILE A 78 4.123 -2.344 -3.520 1.00 0.00 O ATOM 1205 CB ILE A 78 3.518 -2.112 -0.355 1.00 0.00 C ATOM 1206 CG1 ILE A 78 2.159 -1.955 -1.060 1.00 0.00 C ATOM 1207 CG2 ILE A 78 3.533 -1.247 0.905 1.00 0.00 C ATOM 1208 CD1 ILE A 78 1.050 -2.537 -0.176 1.00 0.00 C ATOM 0 H ILE A 78 3.673 -0.183 -2.451 1.00 0.00 H new ATOM 0 HA ILE A 78 5.601 -1.724 -0.745 1.00 0.00 H new ATOM 0 HB ILE A 78 3.662 -3.159 -0.090 1.00 0.00 H new ATOM 0 HG12 ILE A 78 1.962 -0.902 -1.262 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.176 -2.466 -2.023 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.725 -1.556 1.568 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.488 -1.366 1.417 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.397 -0.201 0.630 1.00 0.00 H new ATOM 0 HD11 ILE A 78 0.089 -2.425 -0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.245 -3.594 0.003 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.027 -2.006 0.776 1.00 0.00 H new ATOM 1220 N ARG A 79 5.424 -3.697 -2.369 1.00 0.00 N ATOM 1221 CA ARG A 79 5.525 -4.682 -3.490 1.00 0.00 C ATOM 1222 C ARG A 79 5.550 -6.089 -2.896 1.00 0.00 C ATOM 1223 O ARG A 79 6.037 -6.303 -1.804 1.00 0.00 O ATOM 1224 CB ARG A 79 6.804 -4.440 -4.307 1.00 0.00 C ATOM 1225 CG ARG A 79 6.812 -5.408 -5.496 1.00 0.00 C ATOM 1226 CD ARG A 79 8.020 -5.175 -6.399 1.00 0.00 C ATOM 1227 NE ARG A 79 7.853 -6.068 -7.589 1.00 0.00 N ATOM 1228 CZ ARG A 79 7.191 -5.663 -8.647 1.00 0.00 C ATOM 1229 NH1 ARG A 79 7.008 -4.389 -8.877 1.00 0.00 N ATOM 1230 NH2 ARG A 79 6.773 -6.540 -9.515 1.00 0.00 N ATOM 0 H ARG A 79 5.940 -3.954 -1.528 1.00 0.00 H new ATOM 0 HA ARG A 79 4.669 -4.567 -4.155 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.840 -3.409 -4.658 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.686 -4.596 -3.685 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.822 -6.435 -5.130 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.896 -5.284 -6.073 1.00 0.00 H new ATOM 0 HD2 ARG A 79 8.077 -4.130 -6.705 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.946 -5.404 -5.872 1.00 0.00 H new ATOM 0 HE ARG A 79 8.259 -7.004 -7.577 1.00 0.00 H new ATOM 0 HH11 ARG A 79 7.382 -3.695 -8.230 1.00 0.00 H new ATOM 0 HH12 ARG A 79 6.491 -4.089 -9.704 1.00 0.00 H new ATOM 0 HH21 ARG A 79 6.961 -7.532 -9.369 1.00 0.00 H new ATOM 0 HH22 ARG A 79 6.258 -6.235 -10.341 1.00 0.00 H new ATOM 1244 N LEU A 80 5.024 -7.056 -3.607 1.00 0.00 N ATOM 1245 CA LEU A 80 5.010 -8.455 -3.083 1.00 0.00 C ATOM 1246 C LEU A 80 6.345 -9.121 -3.444 1.00 0.00 C ATOM 1247 O LEU A 80 6.710 -9.221 -4.599 1.00 0.00 O ATOM 1248 CB LEU A 80 3.820 -9.205 -3.729 1.00 0.00 C ATOM 1249 CG LEU A 80 3.329 -10.366 -2.832 1.00 0.00 C ATOM 1250 CD1 LEU A 80 4.494 -11.318 -2.520 1.00 0.00 C ATOM 1251 CD2 LEU A 80 2.706 -9.822 -1.510 1.00 0.00 C ATOM 0 H LEU A 80 4.604 -6.936 -4.528 1.00 0.00 H new ATOM 0 HA LEU A 80 4.891 -8.474 -2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.001 -8.508 -3.905 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.119 -9.596 -4.701 1.00 0.00 H new ATOM 0 HG LEU A 80 2.556 -10.914 -3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.139 -12.132 -1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.889 -11.726 -3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.281 -10.772 -2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.368 -10.657 -0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.455 -9.250 -0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.858 -9.178 -1.745 1.00 0.00 H new ATOM 1263 N ARG A 81 7.080 -9.556 -2.458 1.00 0.00 N ATOM 1264 CA ARG A 81 8.400 -10.196 -2.721 1.00 0.00 C ATOM 1265 C ARG A 81 8.243 -11.350 -3.722 1.00 0.00 C ATOM 1266 O ARG A 81 7.369 -12.185 -3.596 1.00 0.00 O ATOM 1267 CB ARG A 81 8.971 -10.717 -1.382 1.00 0.00 C ATOM 1268 CG ARG A 81 9.531 -9.545 -0.523 1.00 0.00 C ATOM 1269 CD ARG A 81 10.976 -9.218 -0.940 1.00 0.00 C ATOM 1270 NE ARG A 81 11.529 -8.119 -0.087 1.00 0.00 N ATOM 1271 CZ ARG A 81 11.968 -8.365 1.119 1.00 0.00 C ATOM 1272 NH1 ARG A 81 11.739 -9.522 1.680 1.00 0.00 N ATOM 1273 NH2 ARG A 81 12.602 -7.434 1.778 1.00 0.00 N ATOM 0 H ARG A 81 6.821 -9.495 -1.473 1.00 0.00 H new ATOM 0 HA ARG A 81 9.085 -9.467 -3.153 1.00 0.00 H new ATOM 0 HB2 ARG A 81 8.191 -11.239 -0.828 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.762 -11.441 -1.577 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.902 -8.663 -0.645 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.502 -9.813 0.533 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.598 -10.108 -0.847 1.00 0.00 H new ATOM 0 HD3 ARG A 81 11.000 -8.921 -1.988 1.00 0.00 H new ATOM 0 HE ARG A 81 11.564 -7.167 -0.451 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.216 -10.238 1.177 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.084 -9.709 2.622 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.753 -6.520 1.351 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.947 -7.620 2.720 1.00 0.00 H new