USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 734 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 37 THR OG1 : rot -80:sc= 0.0733 USER MOD Set 1.2: A 69 THR OG1 : rot -79:sc= 0.339 USER MOD Single : A 12 MET CE :methyl 178:sc= -0.102 (180deg=-0.112) USER MOD Single : A 13 TYR OH : rot -29:sc= 0.997 USER MOD Single : A 16 THR OG1 : rot 124:sc= 0.232 USER MOD Single : A 19 GLN : amide:sc= -0.871 K(o=-0.87,f=-5.5!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.185 X(o=-0.18,f=-0.11) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.404 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 177:sc= 1.27 USER MOD Single : A 55 SER OG : rot 180:sc= 0.00116 USER MOD Single : A 63 LYS NZ :NH3+ 131:sc= 1.22 (180deg=0.351) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 33:sc= 0.844 USER MOD Single : A 68 THR OG1 : rot 57:sc= 0.116 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 178:sc= 0 (180deg=-0.00995) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot -96:sc= 1.23 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= -0.0189 (180deg=-0.0189) USER MOD Single : A 102 ASN :FLIP amide:sc= -0.376 F(o=-1.2,f=-0.38) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -147:sc= 0.893 (180deg=0.0116) USER MOD Single : A 110 SER OG : rot 180:sc= 0.00559 USER MOD Single : A 125 ASN : amide:sc= 0.302 X(o=0.3,f=-0.0057) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 TYR OH : rot -169:sc= 1.26 USER MOD Single : A 129 ASN :FLIP amide:sc= -0.0354 F(o=-1.2,f=-0.035) USER MOD ----------------------------------------------------------------- ATOM 109 N GLY A 10 -18.710 -4.443 -2.533 1.00 0.00 N ATOM 110 CA GLY A 10 -17.795 -3.586 -1.800 1.00 0.00 C ATOM 111 C GLY A 10 -17.505 -4.097 -0.387 1.00 0.00 C ATOM 112 O GLY A 10 -18.343 -4.754 0.239 1.00 0.00 O ATOM 0 HA2 GLY A 10 -16.858 -3.507 -2.352 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -18.215 -2.582 -1.739 1.00 0.00 H new ATOM 116 N ALA A 11 -16.335 -3.737 0.149 1.00 0.00 N ATOM 117 CA ALA A 11 -15.892 -3.982 1.522 1.00 0.00 C ATOM 118 C ALA A 11 -15.019 -2.809 1.972 1.00 0.00 C ATOM 119 O ALA A 11 -14.433 -2.144 1.123 1.00 0.00 O ATOM 120 CB ALA A 11 -15.092 -5.283 1.579 1.00 0.00 C ATOM 0 H ALA A 11 -15.632 -3.238 -0.396 1.00 0.00 H new ATOM 0 HA ALA A 11 -16.754 -4.072 2.183 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -14.763 -5.463 2.602 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -15.719 -6.111 1.248 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -14.222 -5.204 0.927 1.00 0.00 H new ATOM 126 N MET A 12 -14.901 -2.540 3.278 1.00 0.00 N ATOM 127 CA MET A 12 -13.859 -1.613 3.724 1.00 0.00 C ATOM 128 C MET A 12 -12.492 -2.290 3.626 1.00 0.00 C ATOM 129 O MET A 12 -12.402 -3.525 3.564 1.00 0.00 O ATOM 130 CB MET A 12 -14.071 -1.099 5.159 1.00 0.00 C ATOM 131 CG MET A 12 -15.131 -0.011 5.226 1.00 0.00 C ATOM 132 SD MET A 12 -14.844 1.146 6.582 1.00 0.00 S ATOM 133 CE MET A 12 -16.427 2.016 6.665 1.00 0.00 C ATOM 0 H MET A 12 -15.487 -2.932 4.015 1.00 0.00 H new ATOM 0 HA MET A 12 -13.911 -0.746 3.065 1.00 0.00 H new ATOM 0 HB2 MET A 12 -14.363 -1.929 5.802 1.00 0.00 H new ATOM 0 HB3 MET A 12 -13.129 -0.711 5.548 1.00 0.00 H new ATOM 0 HG2 MET A 12 -15.147 0.535 4.283 1.00 0.00 H new ATOM 0 HG3 MET A 12 -16.112 -0.470 5.345 1.00 0.00 H new ATOM 0 HE1 MET A 12 -16.404 2.736 7.483 1.00 0.00 H new ATOM 0 HE2 MET A 12 -16.604 2.540 5.726 1.00 0.00 H new ATOM 0 HE3 MET A 12 -17.228 1.297 6.837 1.00 0.00 H new ATOM 143 N TYR A 13 -11.431 -1.489 3.678 1.00 0.00 N ATOM 144 CA TYR A 13 -10.110 -1.946 4.065 1.00 0.00 C ATOM 145 C TYR A 13 -9.396 -0.828 4.825 1.00 0.00 C ATOM 146 O TYR A 13 -9.880 0.305 4.956 1.00 0.00 O ATOM 147 CB TYR A 13 -9.306 -2.439 2.850 1.00 0.00 C ATOM 148 CG TYR A 13 -8.818 -1.364 1.900 1.00 0.00 C ATOM 149 CD1 TYR A 13 -9.621 -0.967 0.817 1.00 0.00 C ATOM 150 CD2 TYR A 13 -7.534 -0.813 2.063 1.00 0.00 C ATOM 151 CE1 TYR A 13 -9.143 -0.027 -0.112 1.00 0.00 C ATOM 152 CE2 TYR A 13 -7.047 0.128 1.142 1.00 0.00 C ATOM 153 CZ TYR A 13 -7.853 0.518 0.049 1.00 0.00 C ATOM 154 OH TYR A 13 -7.391 1.440 -0.832 1.00 0.00 O ATOM 0 H TYR A 13 -11.470 -0.496 3.449 1.00 0.00 H new ATOM 0 HA TYR A 13 -10.204 -2.806 4.728 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -8.442 -2.996 3.212 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -9.925 -3.139 2.289 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -10.609 -1.386 0.698 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.921 -1.115 2.899 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -9.761 0.276 -0.945 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.062 0.552 1.268 1.00 0.00 H new ATOM 0 HH TYR A 13 -7.804 1.291 -1.708 1.00 0.00 H new ATOM 164 N GLU A 14 -8.232 -1.169 5.343 1.00 0.00 N ATOM 165 CA GLU A 14 -7.319 -0.314 6.065 1.00 0.00 C ATOM 166 C GLU A 14 -5.938 -0.880 5.720 1.00 0.00 C ATOM 167 O GLU A 14 -5.791 -2.079 5.465 1.00 0.00 O ATOM 168 CB GLU A 14 -7.723 -0.392 7.547 1.00 0.00 C ATOM 169 CG GLU A 14 -6.668 0.039 8.568 1.00 0.00 C ATOM 170 CD GLU A 14 -7.226 -0.149 9.983 1.00 0.00 C ATOM 171 OE1 GLU A 14 -7.591 -1.286 10.366 1.00 0.00 O ATOM 172 OE2 GLU A 14 -7.433 0.863 10.690 1.00 0.00 O ATOM 0 H GLU A 14 -7.877 -2.122 5.262 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.326 0.747 5.815 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.609 0.226 7.691 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.011 -1.420 7.768 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.760 -0.551 8.441 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.395 1.082 8.408 1.00 0.00 H new ATOM 179 N VAL A 15 -4.920 -0.038 5.619 1.00 0.00 N ATOM 180 CA VAL A 15 -3.593 -0.485 5.213 1.00 0.00 C ATOM 181 C VAL A 15 -2.567 0.317 5.992 1.00 0.00 C ATOM 182 O VAL A 15 -2.856 1.418 6.470 1.00 0.00 O ATOM 183 CB VAL A 15 -3.477 -0.381 3.678 1.00 0.00 C ATOM 184 CG1 VAL A 15 -3.523 1.066 3.184 1.00 0.00 C ATOM 185 CG2 VAL A 15 -2.235 -1.068 3.100 1.00 0.00 C ATOM 0 H VAL A 15 -4.987 0.961 5.813 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.408 -1.533 5.449 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.353 -0.916 3.312 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.437 1.082 2.097 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.468 1.522 3.481 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.697 1.626 3.621 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.225 -0.951 2.016 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.338 -0.614 3.522 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.256 -2.129 3.350 1.00 0.00 H new ATOM 195 N THR A 16 -1.380 -0.247 6.181 1.00 0.00 N ATOM 196 CA THR A 16 -0.366 0.356 7.023 1.00 0.00 C ATOM 197 C THR A 16 0.980 0.016 6.388 1.00 0.00 C ATOM 198 O THR A 16 1.577 -1.036 6.628 1.00 0.00 O ATOM 199 CB THR A 16 -0.562 -0.117 8.476 1.00 0.00 C ATOM 200 OG1 THR A 16 -1.944 -0.224 8.805 1.00 0.00 O ATOM 201 CG2 THR A 16 0.017 0.889 9.461 1.00 0.00 C ATOM 0 H THR A 16 -1.099 -1.130 5.755 1.00 0.00 H new ATOM 0 HA THR A 16 -0.429 1.442 7.085 1.00 0.00 H new ATOM 0 HB THR A 16 -0.062 -1.083 8.547 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.135 -1.130 9.126 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.135 0.530 10.479 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.084 1.009 9.274 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.483 1.849 9.336 1.00 0.00 H new ATOM 209 N ILE A 17 1.386 0.885 5.469 1.00 0.00 N ATOM 210 CA ILE A 17 2.716 0.920 4.888 1.00 0.00 C ATOM 211 C ILE A 17 3.612 1.609 5.919 1.00 0.00 C ATOM 212 O ILE A 17 3.181 2.558 6.577 1.00 0.00 O ATOM 213 CB ILE A 17 2.663 1.672 3.528 1.00 0.00 C ATOM 214 CG1 ILE A 17 4.031 1.780 2.818 1.00 0.00 C ATOM 215 CG2 ILE A 17 2.089 3.100 3.647 1.00 0.00 C ATOM 216 CD1 ILE A 17 4.531 0.501 2.165 1.00 0.00 C ATOM 0 H ILE A 17 0.772 1.610 5.097 1.00 0.00 H new ATOM 0 HA ILE A 17 3.113 -0.071 4.671 1.00 0.00 H new ATOM 0 HB ILE A 17 1.997 1.050 2.930 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.965 2.555 2.055 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.773 2.111 3.545 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.079 3.571 2.664 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.072 3.052 4.037 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.710 3.687 4.324 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.497 0.686 1.696 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.638 -0.276 2.922 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.817 0.175 1.409 1.00 0.00 H new ATOM 228 N GLU A 18 4.865 1.176 6.016 1.00 0.00 N ATOM 229 CA GLU A 18 5.921 1.982 6.601 1.00 0.00 C ATOM 230 C GLU A 18 7.103 1.919 5.649 1.00 0.00 C ATOM 231 O GLU A 18 7.734 0.862 5.518 1.00 0.00 O ATOM 232 CB GLU A 18 6.292 1.517 8.018 1.00 0.00 C ATOM 233 CG GLU A 18 5.201 1.862 9.032 1.00 0.00 C ATOM 234 CD GLU A 18 5.610 1.524 10.465 1.00 0.00 C ATOM 235 OE1 GLU A 18 6.418 2.284 11.052 1.00 0.00 O ATOM 236 OE2 GLU A 18 5.059 0.539 11.012 1.00 0.00 O ATOM 0 H GLU A 18 5.172 0.259 5.691 1.00 0.00 H new ATOM 0 HA GLU A 18 5.586 3.012 6.724 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.458 0.440 8.015 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.230 1.984 8.320 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.969 2.925 8.964 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.290 1.320 8.780 1.00 0.00 H new ATOM 243 N GLN A 19 7.364 3.035 4.972 1.00 0.00 N ATOM 244 CA GLN A 19 8.653 3.341 4.390 1.00 0.00 C ATOM 245 C GLN A 19 9.536 3.960 5.489 1.00 0.00 C ATOM 246 O GLN A 19 9.102 4.150 6.631 1.00 0.00 O ATOM 247 CB GLN A 19 8.511 4.300 3.187 1.00 0.00 C ATOM 248 CG GLN A 19 7.273 4.131 2.284 1.00 0.00 C ATOM 249 CD GLN A 19 6.051 4.964 2.683 1.00 0.00 C ATOM 250 OE1 GLN A 19 5.149 4.490 3.360 1.00 0.00 O ATOM 251 NE2 GLN A 19 5.943 6.191 2.215 1.00 0.00 N ATOM 0 H GLN A 19 6.666 3.762 4.814 1.00 0.00 H new ATOM 0 HA GLN A 19 9.113 2.429 4.011 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.512 5.321 3.569 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.399 4.192 2.564 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.551 4.391 1.263 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.989 3.079 2.279 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.693 6.589 1.650 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.109 6.743 2.418 1.00 0.00 H new ATOM 260 N SER A 20 10.795 4.236 5.157 1.00 0.00 N ATOM 261 CA SER A 20 11.772 4.977 5.958 1.00 0.00 C ATOM 262 C SER A 20 13.005 5.222 5.075 1.00 0.00 C ATOM 263 O SER A 20 13.069 4.686 3.961 1.00 0.00 O ATOM 264 CB SER A 20 12.131 4.204 7.244 1.00 0.00 C ATOM 265 OG SER A 20 12.176 2.798 7.053 1.00 0.00 O ATOM 0 H SER A 20 11.187 3.930 4.266 1.00 0.00 H new ATOM 0 HA SER A 20 11.357 5.931 6.282 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.099 4.547 7.609 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.399 4.437 8.017 1.00 0.00 H new ATOM 0 HG SER A 20 12.409 2.360 7.898 1.00 0.00 H new ATOM 271 N GLY A 21 13.988 5.984 5.557 1.00 0.00 N ATOM 272 CA GLY A 21 15.305 6.148 4.957 1.00 0.00 C ATOM 273 C GLY A 21 15.263 6.752 3.558 1.00 0.00 C ATOM 274 O GLY A 21 15.133 7.967 3.413 1.00 0.00 O ATOM 0 H GLY A 21 13.879 6.526 6.414 1.00 0.00 H new ATOM 0 HA2 GLY A 21 15.913 6.784 5.601 1.00 0.00 H new ATOM 0 HA3 GLY A 21 15.798 5.177 4.911 1.00 0.00 H new ATOM 278 N ASP A 22 15.396 5.923 2.524 1.00 0.00 N ATOM 279 CA ASP A 22 15.596 6.359 1.140 1.00 0.00 C ATOM 280 C ASP A 22 14.434 5.856 0.287 1.00 0.00 C ATOM 281 O ASP A 22 14.572 5.214 -0.746 1.00 0.00 O ATOM 282 CB ASP A 22 16.986 5.979 0.607 1.00 0.00 C ATOM 283 CG ASP A 22 18.064 7.017 0.951 1.00 0.00 C ATOM 284 OD1 ASP A 22 18.088 7.468 2.121 1.00 0.00 O ATOM 285 OD2 ASP A 22 18.866 7.393 0.058 1.00 0.00 O ATOM 0 H ASP A 22 15.367 4.908 2.625 1.00 0.00 H new ATOM 0 HA ASP A 22 15.587 7.448 1.091 1.00 0.00 H new ATOM 0 HB2 ASP A 22 17.275 5.012 1.019 1.00 0.00 H new ATOM 0 HB3 ASP A 22 16.935 5.862 -0.475 1.00 0.00 H new ATOM 290 N PHE A 23 13.235 6.206 0.730 1.00 0.00 N ATOM 291 CA PHE A 23 11.977 5.949 0.028 1.00 0.00 C ATOM 292 C PHE A 23 11.920 6.601 -1.354 1.00 0.00 C ATOM 293 O PHE A 23 11.153 6.143 -2.197 1.00 0.00 O ATOM 294 CB PHE A 23 10.786 6.388 0.895 1.00 0.00 C ATOM 295 CG PHE A 23 10.999 7.658 1.698 1.00 0.00 C ATOM 296 CD1 PHE A 23 10.943 8.917 1.076 1.00 0.00 C ATOM 297 CD2 PHE A 23 11.288 7.572 3.071 1.00 0.00 C ATOM 298 CE1 PHE A 23 11.180 10.083 1.828 1.00 0.00 C ATOM 299 CE2 PHE A 23 11.548 8.732 3.817 1.00 0.00 C ATOM 300 CZ PHE A 23 11.487 9.990 3.196 1.00 0.00 C ATOM 0 H PHE A 23 13.102 6.693 1.616 1.00 0.00 H new ATOM 0 HA PHE A 23 11.919 4.874 -0.142 1.00 0.00 H new ATOM 0 HB2 PHE A 23 9.920 6.528 0.248 1.00 0.00 H new ATOM 0 HB3 PHE A 23 10.542 5.579 1.584 1.00 0.00 H new ATOM 0 HD1 PHE A 23 10.718 8.990 0.022 1.00 0.00 H new ATOM 0 HD2 PHE A 23 11.310 6.607 3.555 1.00 0.00 H new ATOM 0 HE1 PHE A 23 11.126 11.051 1.353 1.00 0.00 H new ATOM 0 HE2 PHE A 23 11.794 8.657 4.866 1.00 0.00 H new ATOM 0 HZ PHE A 23 11.676 10.885 3.769 1.00 0.00 H new ATOM 310 N ARG A 24 12.733 7.630 -1.611 1.00 0.00 N ATOM 311 CA ARG A 24 12.903 8.240 -2.924 1.00 0.00 C ATOM 312 C ARG A 24 14.076 7.616 -3.695 1.00 0.00 C ATOM 313 O ARG A 24 14.680 8.269 -4.541 1.00 0.00 O ATOM 314 CB ARG A 24 12.992 9.766 -2.789 1.00 0.00 C ATOM 315 CG ARG A 24 14.134 10.281 -1.903 1.00 0.00 C ATOM 316 CD ARG A 24 13.752 10.449 -0.422 1.00 0.00 C ATOM 317 NE ARG A 24 14.544 11.501 0.239 1.00 0.00 N ATOM 318 CZ ARG A 24 14.363 12.823 0.081 1.00 0.00 C ATOM 319 NH1 ARG A 24 13.403 13.267 -0.730 1.00 0.00 N ATOM 320 NH2 ARG A 24 15.130 13.698 0.720 1.00 0.00 N ATOM 0 H ARG A 24 13.304 8.070 -0.889 1.00 0.00 H new ATOM 0 HA ARG A 24 12.023 8.028 -3.532 1.00 0.00 H new ATOM 0 HB2 ARG A 24 13.104 10.196 -3.784 1.00 0.00 H new ATOM 0 HB3 ARG A 24 12.048 10.134 -2.387 1.00 0.00 H new ATOM 0 HG2 ARG A 24 14.975 9.591 -1.974 1.00 0.00 H new ATOM 0 HG3 ARG A 24 14.476 11.241 -2.290 1.00 0.00 H new ATOM 0 HD2 ARG A 24 12.692 10.693 -0.347 1.00 0.00 H new ATOM 0 HD3 ARG A 24 13.899 9.503 0.099 1.00 0.00 H new ATOM 0 HE ARG A 24 15.290 11.202 0.867 1.00 0.00 H new ATOM 0 HH11 ARG A 24 12.809 12.604 -1.228 1.00 0.00 H new ATOM 0 HH12 ARG A 24 13.262 14.270 -0.853 1.00 0.00 H new ATOM 0 HH21 ARG A 24 15.869 13.370 1.341 1.00 0.00 H new ATOM 0 HH22 ARG A 24 14.980 14.698 0.590 1.00 0.00 H new ATOM 334 N SER A 25 14.418 6.362 -3.407 1.00 0.00 N ATOM 335 CA SER A 25 15.300 5.538 -4.226 1.00 0.00 C ATOM 336 C SER A 25 14.547 4.281 -4.658 1.00 0.00 C ATOM 337 O SER A 25 15.048 3.162 -4.608 1.00 0.00 O ATOM 338 CB SER A 25 16.597 5.246 -3.483 1.00 0.00 C ATOM 339 OG SER A 25 17.232 6.458 -3.115 1.00 0.00 O ATOM 0 H SER A 25 14.079 5.879 -2.575 1.00 0.00 H new ATOM 0 HA SER A 25 15.591 6.070 -5.132 1.00 0.00 H new ATOM 0 HB2 SER A 25 16.389 4.651 -2.594 1.00 0.00 H new ATOM 0 HB3 SER A 25 17.261 4.656 -4.114 1.00 0.00 H new ATOM 0 HG SER A 25 18.064 6.259 -2.636 1.00 0.00 H new ATOM 345 N PHE A 26 13.308 4.495 -5.080 1.00 0.00 N ATOM 346 CA PHE A 26 12.360 3.551 -5.644 1.00 0.00 C ATOM 347 C PHE A 26 11.617 4.298 -6.752 1.00 0.00 C ATOM 348 O PHE A 26 11.537 5.525 -6.694 1.00 0.00 O ATOM 349 CB PHE A 26 11.359 3.146 -4.551 1.00 0.00 C ATOM 350 CG PHE A 26 11.819 2.134 -3.516 1.00 0.00 C ATOM 351 CD1 PHE A 26 12.447 0.934 -3.902 1.00 0.00 C ATOM 352 CD2 PHE A 26 11.542 2.359 -2.153 1.00 0.00 C ATOM 353 CE1 PHE A 26 12.756 -0.047 -2.944 1.00 0.00 C ATOM 354 CE2 PHE A 26 11.883 1.389 -1.194 1.00 0.00 C ATOM 355 CZ PHE A 26 12.469 0.177 -1.588 1.00 0.00 C ATOM 0 H PHE A 26 12.904 5.430 -5.029 1.00 0.00 H new ATOM 0 HA PHE A 26 12.854 2.658 -6.027 1.00 0.00 H new ATOM 0 HB2 PHE A 26 11.053 4.050 -4.024 1.00 0.00 H new ATOM 0 HB3 PHE A 26 10.471 2.746 -5.040 1.00 0.00 H new ATOM 0 HD1 PHE A 26 12.693 0.767 -4.940 1.00 0.00 H new ATOM 0 HD2 PHE A 26 11.067 3.278 -1.844 1.00 0.00 H new ATOM 0 HE1 PHE A 26 13.215 -0.975 -3.252 1.00 0.00 H new ATOM 0 HE2 PHE A 26 11.693 1.578 -0.148 1.00 0.00 H new ATOM 0 HZ PHE A 26 12.698 -0.580 -0.852 1.00 0.00 H new ATOM 365 N ILE A 27 11.016 3.574 -7.699 1.00 0.00 N ATOM 366 CA ILE A 27 10.240 4.122 -8.809 1.00 0.00 C ATOM 367 C ILE A 27 8.896 3.403 -8.848 1.00 0.00 C ATOM 368 O ILE A 27 8.820 2.290 -9.378 1.00 0.00 O ATOM 369 CB ILE A 27 11.018 3.979 -10.137 1.00 0.00 C ATOM 370 CG1 ILE A 27 12.417 4.633 -10.133 1.00 0.00 C ATOM 371 CG2 ILE A 27 10.182 4.496 -11.321 1.00 0.00 C ATOM 372 CD1 ILE A 27 12.438 6.160 -9.994 1.00 0.00 C ATOM 0 H ILE A 27 11.059 2.555 -7.713 1.00 0.00 H new ATOM 0 HA ILE A 27 10.066 5.189 -8.667 1.00 0.00 H new ATOM 0 HB ILE A 27 11.195 2.910 -10.253 1.00 0.00 H new ATOM 0 HG12 ILE A 27 12.996 4.204 -9.315 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.926 4.364 -11.059 1.00 0.00 H new ATOM 0 HG21 ILE A 27 10.751 4.385 -12.244 1.00 0.00 H new ATOM 0 HG22 ILE A 27 9.258 3.922 -11.393 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.944 5.548 -11.166 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.470 6.512 -10.003 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.894 6.609 -10.825 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.965 6.446 -9.055 1.00 0.00 H new ATOM 384 N LYS A 28 7.843 3.995 -8.270 1.00 0.00 N ATOM 385 CA LYS A 28 6.476 3.463 -8.314 1.00 0.00 C ATOM 386 C LYS A 28 5.466 4.574 -8.037 1.00 0.00 C ATOM 387 O LYS A 28 5.750 5.754 -8.170 1.00 0.00 O ATOM 388 CB LYS A 28 6.310 2.241 -7.362 1.00 0.00 C ATOM 389 CG LYS A 28 6.629 0.847 -7.928 1.00 0.00 C ATOM 390 CD LYS A 28 6.151 0.538 -9.355 1.00 0.00 C ATOM 391 CE LYS A 28 6.754 -0.809 -9.765 1.00 0.00 C ATOM 392 NZ LYS A 28 5.921 -1.578 -10.697 1.00 0.00 N ATOM 0 H LYS A 28 7.919 4.870 -7.751 1.00 0.00 H new ATOM 0 HA LYS A 28 6.276 3.090 -9.318 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.947 2.404 -6.493 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.280 2.231 -7.005 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.710 0.710 -7.898 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.195 0.104 -7.259 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.062 0.498 -9.394 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.465 1.323 -10.042 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.728 -0.635 -10.223 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.925 -1.406 -8.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.395 -2.475 -10.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.000 -1.776 -10.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.777 -1.029 -11.568 1.00 0.00 H new ATOM 406 N SER A 29 4.234 4.190 -7.741 1.00 0.00 N ATOM 407 CA SER A 29 3.148 5.050 -7.322 1.00 0.00 C ATOM 408 C SER A 29 2.281 4.272 -6.333 1.00 0.00 C ATOM 409 O SER A 29 2.236 3.035 -6.388 1.00 0.00 O ATOM 410 CB SER A 29 2.343 5.469 -8.552 1.00 0.00 C ATOM 411 OG SER A 29 2.027 4.393 -9.420 1.00 0.00 O ATOM 0 H SER A 29 3.953 3.211 -7.791 1.00 0.00 H new ATOM 0 HA SER A 29 3.522 5.951 -6.836 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.418 5.944 -8.225 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.908 6.218 -9.107 1.00 0.00 H new ATOM 0 HG SER A 29 1.512 4.729 -10.183 1.00 0.00 H new ATOM 417 N VAL A 30 1.573 4.969 -5.445 1.00 0.00 N ATOM 418 CA VAL A 30 0.607 4.370 -4.533 1.00 0.00 C ATOM 419 C VAL A 30 -0.722 4.394 -5.271 1.00 0.00 C ATOM 420 O VAL A 30 -1.467 5.374 -5.253 1.00 0.00 O ATOM 421 CB VAL A 30 0.591 5.068 -3.157 1.00 0.00 C ATOM 422 CG1 VAL A 30 -0.607 4.666 -2.292 1.00 0.00 C ATOM 423 CG2 VAL A 30 1.845 4.686 -2.361 1.00 0.00 C ATOM 0 H VAL A 30 1.658 5.980 -5.340 1.00 0.00 H new ATOM 0 HA VAL A 30 0.866 3.343 -4.277 1.00 0.00 H new ATOM 0 HB VAL A 30 0.540 6.136 -3.370 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.560 5.191 -1.338 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.531 4.930 -2.806 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.584 3.591 -2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.826 5.183 -1.391 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.868 3.606 -2.215 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.734 4.997 -2.910 1.00 0.00 H new ATOM 433 N VAL A 31 -1.010 3.287 -5.945 1.00 0.00 N ATOM 434 CA VAL A 31 -2.348 2.967 -6.402 1.00 0.00 C ATOM 435 C VAL A 31 -3.029 2.301 -5.204 1.00 0.00 C ATOM 436 O VAL A 31 -3.079 1.075 -5.120 1.00 0.00 O ATOM 437 CB VAL A 31 -2.276 2.058 -7.644 1.00 0.00 C ATOM 438 CG1 VAL A 31 -3.666 1.834 -8.242 1.00 0.00 C ATOM 439 CG2 VAL A 31 -1.359 2.632 -8.740 1.00 0.00 C ATOM 0 H VAL A 31 -0.313 2.584 -6.189 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.918 3.840 -6.719 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.859 1.112 -7.300 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.586 1.189 -9.117 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.309 1.361 -7.500 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.095 2.792 -8.535 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.343 1.954 -9.593 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.735 3.605 -9.057 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.349 2.745 -8.347 1.00 0.00 H new ATOM 449 N VAL A 32 -3.478 3.089 -4.231 1.00 0.00 N ATOM 450 CA VAL A 32 -4.237 2.587 -3.098 1.00 0.00 C ATOM 451 C VAL A 32 -5.382 3.559 -2.907 1.00 0.00 C ATOM 452 O VAL A 32 -5.198 4.648 -2.369 1.00 0.00 O ATOM 453 CB VAL A 32 -3.374 2.437 -1.832 1.00 0.00 C ATOM 454 CG1 VAL A 32 -4.212 2.101 -0.593 1.00 0.00 C ATOM 455 CG2 VAL A 32 -2.322 1.329 -2.008 1.00 0.00 C ATOM 0 H VAL A 32 -3.323 4.097 -4.210 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.607 1.580 -3.289 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.889 3.402 -1.685 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.558 2.005 0.274 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.935 2.897 -0.416 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.740 1.161 -0.755 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.727 1.245 -1.099 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.822 0.380 -2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.671 1.575 -2.847 1.00 0.00 H new ATOM 465 N VAL A 33 -6.554 3.176 -3.389 1.00 0.00 N ATOM 466 CA VAL A 33 -7.773 3.926 -3.196 1.00 0.00 C ATOM 467 C VAL A 33 -8.942 2.941 -3.173 1.00 0.00 C ATOM 468 O VAL A 33 -8.747 1.725 -3.210 1.00 0.00 O ATOM 469 CB VAL A 33 -7.836 5.048 -4.251 1.00 0.00 C ATOM 470 CG1 VAL A 33 -8.021 4.537 -5.687 1.00 0.00 C ATOM 471 CG2 VAL A 33 -8.875 6.122 -3.899 1.00 0.00 C ATOM 0 H VAL A 33 -6.681 2.322 -3.932 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.819 4.445 -2.239 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.853 5.517 -4.223 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.056 5.384 -6.373 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.186 3.889 -5.953 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.952 3.975 -5.756 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.881 6.890 -4.673 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.863 5.665 -3.833 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.620 6.575 -2.941 1.00 0.00 H new ATOM 481 N ALA A 34 -10.158 3.450 -3.042 1.00 0.00 N ATOM 482 CA ALA A 34 -11.375 2.746 -3.367 1.00 0.00 C ATOM 483 C ALA A 34 -11.792 3.172 -4.763 1.00 0.00 C ATOM 484 O ALA A 34 -11.682 4.338 -5.124 1.00 0.00 O ATOM 485 CB ALA A 34 -12.441 3.167 -2.360 1.00 0.00 C ATOM 0 H ALA A 34 -10.323 4.395 -2.695 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.240 1.665 -3.331 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.375 2.650 -2.581 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.113 2.909 -1.353 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.598 4.244 -2.425 1.00 0.00 H new ATOM 491 N ASN A 35 -12.353 2.234 -5.515 1.00 0.00 N ATOM 492 CA ASN A 35 -13.007 2.482 -6.798 1.00 0.00 C ATOM 493 C ASN A 35 -14.486 2.836 -6.603 1.00 0.00 C ATOM 494 O ASN A 35 -15.328 2.475 -7.419 1.00 0.00 O ATOM 495 CB ASN A 35 -12.771 1.258 -7.705 1.00 0.00 C ATOM 496 CG ASN A 35 -11.733 1.521 -8.798 1.00 0.00 C ATOM 497 OD1 ASN A 35 -11.857 1.017 -9.908 1.00 0.00 O ATOM 498 ND2 ASN A 35 -10.688 2.284 -8.512 1.00 0.00 N ATOM 0 H ASN A 35 -12.367 1.251 -5.243 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.575 3.352 -7.293 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -12.443 0.417 -7.094 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.714 0.968 -8.168 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.975 2.458 -9.220 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.597 2.697 -7.584 1.00 0.00 H new ATOM 505 N GLY A 36 -14.831 3.499 -5.502 1.00 0.00 N ATOM 506 CA GLY A 36 -16.159 4.045 -5.296 1.00 0.00 C ATOM 507 C GLY A 36 -16.196 4.991 -4.103 1.00 0.00 C ATOM 508 O GLY A 36 -16.487 6.176 -4.272 1.00 0.00 O ATOM 0 H GLY A 36 -14.190 3.670 -4.727 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -16.478 4.576 -6.193 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.867 3.232 -5.139 1.00 0.00 H new ATOM 512 N THR A 37 -15.938 4.496 -2.893 1.00 0.00 N ATOM 513 CA THR A 37 -16.036 5.336 -1.702 1.00 0.00 C ATOM 514 C THR A 37 -14.858 6.316 -1.598 1.00 0.00 C ATOM 515 O THR A 37 -13.882 6.200 -2.345 1.00 0.00 O ATOM 516 CB THR A 37 -16.238 4.450 -0.467 1.00 0.00 C ATOM 517 OG1 THR A 37 -16.861 5.186 0.548 1.00 0.00 O ATOM 518 CG2 THR A 37 -14.959 3.820 0.095 1.00 0.00 C ATOM 0 H THR A 37 -15.663 3.530 -2.713 1.00 0.00 H new ATOM 0 HA THR A 37 -16.913 5.979 -1.774 1.00 0.00 H new ATOM 0 HB THR A 37 -16.861 3.623 -0.809 1.00 0.00 H new ATOM 0 HG1 THR A 37 -16.195 5.742 1.005 1.00 0.00 H new ATOM 0 HG21 THR A 37 -15.205 3.212 0.966 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.498 3.192 -0.667 1.00 0.00 H new ATOM 0 HG23 THR A 37 -14.263 4.607 0.386 1.00 0.00 H new ATOM 526 N GLN A 38 -14.947 7.289 -0.691 1.00 0.00 N ATOM 527 CA GLN A 38 -13.887 8.260 -0.442 1.00 0.00 C ATOM 528 C GLN A 38 -12.779 7.609 0.389 1.00 0.00 C ATOM 529 O GLN A 38 -12.989 6.616 1.097 1.00 0.00 O ATOM 530 CB GLN A 38 -14.484 9.519 0.215 1.00 0.00 C ATOM 531 CG GLN A 38 -15.215 10.365 -0.842 1.00 0.00 C ATOM 532 CD GLN A 38 -16.474 11.049 -0.323 1.00 0.00 C ATOM 533 OE1 GLN A 38 -17.424 10.406 0.120 1.00 0.00 O ATOM 534 NE2 GLN A 38 -16.566 12.352 -0.445 1.00 0.00 N ATOM 0 H GLN A 38 -15.769 7.425 -0.102 1.00 0.00 H new ATOM 0 HA GLN A 38 -13.430 8.581 -1.378 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -15.176 9.233 1.007 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -13.693 10.107 0.680 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -14.531 11.124 -1.222 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -15.481 9.726 -1.684 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -15.779 12.887 -0.812 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -17.425 12.830 -0.173 1.00 0.00 H new ATOM 543 N LEU A 39 -11.576 8.167 0.283 1.00 0.00 N ATOM 544 CA LEU A 39 -10.416 7.710 1.040 1.00 0.00 C ATOM 545 C LEU A 39 -10.179 8.687 2.176 1.00 0.00 C ATOM 546 O LEU A 39 -10.252 9.899 1.972 1.00 0.00 O ATOM 547 CB LEU A 39 -9.182 7.611 0.119 1.00 0.00 C ATOM 548 CG LEU A 39 -8.529 6.220 0.049 1.00 0.00 C ATOM 549 CD1 LEU A 39 -7.770 5.884 1.324 1.00 0.00 C ATOM 550 CD2 LEU A 39 -9.509 5.074 -0.243 1.00 0.00 C ATOM 0 H LEU A 39 -11.378 8.954 -0.335 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.595 6.715 1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.475 7.909 -0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.436 8.329 0.459 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.843 6.296 -0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.325 4.893 1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.984 6.622 1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.457 5.896 2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.965 4.130 -0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.264 5.032 0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.994 5.246 -1.204 1.00 0.00 H new ATOM 562 N LYS A 40 -9.886 8.170 3.367 1.00 0.00 N ATOM 563 CA LYS A 40 -9.359 8.965 4.459 1.00 0.00 C ATOM 564 C LYS A 40 -7.846 8.936 4.338 1.00 0.00 C ATOM 565 O LYS A 40 -7.243 7.858 4.328 1.00 0.00 O ATOM 566 CB LYS A 40 -9.861 8.433 5.808 1.00 0.00 C ATOM 567 CG LYS A 40 -9.373 9.338 6.947 1.00 0.00 C ATOM 568 CD LYS A 40 -10.207 9.202 8.223 1.00 0.00 C ATOM 569 CE LYS A 40 -9.965 7.876 8.940 1.00 0.00 C ATOM 570 NZ LYS A 40 -10.770 7.749 10.172 1.00 0.00 N ATOM 0 H LYS A 40 -10.010 7.184 3.597 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.705 9.997 4.407 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.950 8.390 5.808 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.502 7.415 5.963 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.334 9.099 7.173 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.397 10.376 6.614 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.970 10.025 8.898 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.264 9.289 7.973 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.203 7.053 8.267 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.907 7.788 9.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.572 6.833 10.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.525 8.518 10.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.781 7.806 9.934 1.00 0.00 H new ATOM 584 N ASP A 41 -7.244 10.112 4.197 1.00 0.00 N ATOM 585 CA ASP A 41 -5.797 10.260 4.206 1.00 0.00 C ATOM 586 C ASP A 41 -5.327 10.101 5.641 1.00 0.00 C ATOM 587 O ASP A 41 -5.764 10.851 6.512 1.00 0.00 O ATOM 588 CB ASP A 41 -5.345 11.619 3.667 1.00 0.00 C ATOM 589 CG ASP A 41 -3.864 11.544 3.279 1.00 0.00 C ATOM 590 OD1 ASP A 41 -3.059 10.952 4.034 1.00 0.00 O ATOM 591 OD2 ASP A 41 -3.518 12.005 2.173 1.00 0.00 O ATOM 0 H ASP A 41 -7.749 10.990 4.073 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.363 9.502 3.554 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.946 11.898 2.801 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.496 12.391 4.422 1.00 0.00 H new ATOM 596 N GLY A 42 -4.451 9.139 5.915 1.00 0.00 N ATOM 597 CA GLY A 42 -3.956 8.910 7.262 1.00 0.00 C ATOM 598 C GLY A 42 -3.158 10.094 7.804 1.00 0.00 C ATOM 599 O GLY A 42 -3.120 10.256 9.026 1.00 0.00 O ATOM 0 H GLY A 42 -4.069 8.503 5.215 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.798 8.710 7.925 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.327 8.020 7.267 1.00 0.00 H new ATOM 603 N ALA A 43 -2.570 10.921 6.927 1.00 0.00 N ATOM 604 CA ALA A 43 -1.728 12.061 7.278 1.00 0.00 C ATOM 605 C ALA A 43 -2.455 13.005 8.232 1.00 0.00 C ATOM 606 O ALA A 43 -1.922 13.378 9.273 1.00 0.00 O ATOM 607 CB ALA A 43 -1.333 12.808 5.998 1.00 0.00 C ATOM 0 H ALA A 43 -2.675 10.805 5.919 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.834 11.696 7.784 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.704 13.661 6.254 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.783 12.136 5.339 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.231 13.159 5.490 1.00 0.00 H new ATOM 613 N THR A 44 -3.693 13.358 7.900 1.00 0.00 N ATOM 614 CA THR A 44 -4.489 14.344 8.617 1.00 0.00 C ATOM 615 C THR A 44 -5.791 13.713 9.133 1.00 0.00 C ATOM 616 O THR A 44 -6.315 14.151 10.160 1.00 0.00 O ATOM 617 CB THR A 44 -4.694 15.584 7.714 1.00 0.00 C ATOM 618 OG1 THR A 44 -5.772 16.355 8.173 1.00 0.00 O ATOM 619 CG2 THR A 44 -4.919 15.246 6.231 1.00 0.00 C ATOM 0 H THR A 44 -4.182 12.953 7.102 1.00 0.00 H new ATOM 0 HA THR A 44 -3.967 14.690 9.509 1.00 0.00 H new ATOM 0 HB THR A 44 -3.762 16.145 7.778 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.887 17.136 7.592 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.054 16.167 5.664 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.054 14.707 5.845 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.809 14.624 6.130 1.00 0.00 H new ATOM 627 N GLY A 45 -6.300 12.664 8.487 1.00 0.00 N ATOM 628 CA GLY A 45 -7.630 12.118 8.713 1.00 0.00 C ATOM 629 C GLY A 45 -8.691 12.824 7.863 1.00 0.00 C ATOM 630 O GLY A 45 -9.879 12.560 8.038 1.00 0.00 O ATOM 0 H GLY A 45 -5.779 12.158 7.771 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -7.629 11.053 8.481 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.887 12.214 9.768 1.00 0.00 H new ATOM 634 N GLU A 46 -8.293 13.710 6.944 1.00 0.00 N ATOM 635 CA GLU A 46 -9.183 14.354 5.981 1.00 0.00 C ATOM 636 C GLU A 46 -9.713 13.297 5.016 1.00 0.00 C ATOM 637 O GLU A 46 -9.079 12.258 4.818 1.00 0.00 O ATOM 638 CB GLU A 46 -8.432 15.464 5.232 1.00 0.00 C ATOM 639 CG GLU A 46 -8.122 16.653 6.157 1.00 0.00 C ATOM 640 CD GLU A 46 -9.251 17.677 6.265 1.00 0.00 C ATOM 641 OE1 GLU A 46 -9.728 18.195 5.231 1.00 0.00 O ATOM 642 OE2 GLU A 46 -9.651 17.987 7.411 1.00 0.00 O ATOM 0 H GLU A 46 -7.321 14.004 6.850 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.025 14.814 6.498 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.503 15.066 4.824 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.031 15.804 4.387 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.895 16.274 7.153 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.225 17.155 5.795 1.00 0.00 H new ATOM 649 N SER A 47 -10.871 13.565 4.420 1.00 0.00 N ATOM 650 CA SER A 47 -11.551 12.641 3.530 1.00 0.00 C ATOM 651 C SER A 47 -11.532 13.256 2.142 1.00 0.00 C ATOM 652 O SER A 47 -11.906 14.422 1.981 1.00 0.00 O ATOM 653 CB SER A 47 -12.960 12.334 4.051 1.00 0.00 C ATOM 654 OG SER A 47 -13.696 13.484 4.449 1.00 0.00 O ATOM 0 H SER A 47 -11.368 14.446 4.547 1.00 0.00 H new ATOM 0 HA SER A 47 -11.048 11.675 3.486 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.517 11.811 3.274 1.00 0.00 H new ATOM 0 HB3 SER A 47 -12.882 11.654 4.900 1.00 0.00 H new ATOM 0 HG SER A 47 -14.582 13.211 4.767 1.00 0.00 H new ATOM 660 N LEU A 48 -11.091 12.499 1.142 1.00 0.00 N ATOM 661 CA LEU A 48 -10.769 13.022 -0.174 1.00 0.00 C ATOM 662 C LEU A 48 -11.496 12.211 -1.239 1.00 0.00 C ATOM 663 O LEU A 48 -11.810 11.030 -1.048 1.00 0.00 O ATOM 664 CB LEU A 48 -9.245 12.993 -0.371 1.00 0.00 C ATOM 665 CG LEU A 48 -8.489 13.906 0.622 1.00 0.00 C ATOM 666 CD1 LEU A 48 -7.024 13.494 0.686 1.00 0.00 C ATOM 667 CD2 LEU A 48 -8.598 15.389 0.246 1.00 0.00 C ATOM 0 H LEU A 48 -10.947 11.493 1.228 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.101 14.056 -0.263 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.889 11.969 -0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.010 13.301 -1.390 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.954 13.783 1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.495 14.140 1.387 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.951 12.459 1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.576 13.588 -0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.051 15.990 0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.174 15.545 -0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.646 15.688 0.244 1.00 0.00 H new ATOM 679 N ALA A 49 -11.762 12.882 -2.359 1.00 0.00 N ATOM 680 CA ALA A 49 -12.449 12.340 -3.514 1.00 0.00 C ATOM 681 C ALA A 49 -11.612 11.243 -4.159 1.00 0.00 C ATOM 682 O ALA A 49 -10.400 11.158 -3.929 1.00 0.00 O ATOM 683 CB ALA A 49 -12.697 13.478 -4.501 1.00 0.00 C ATOM 0 H ALA A 49 -11.491 13.857 -2.484 1.00 0.00 H new ATOM 0 HA ALA A 49 -13.399 11.899 -3.213 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.214 13.092 -5.379 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -13.310 14.244 -4.027 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -11.744 13.912 -4.803 1.00 0.00 H new ATOM 689 N SER A 50 -12.244 10.428 -4.996 1.00 0.00 N ATOM 690 CA SER A 50 -11.630 9.200 -5.471 1.00 0.00 C ATOM 691 C SER A 50 -12.084 8.830 -6.893 1.00 0.00 C ATOM 692 O SER A 50 -13.210 9.161 -7.284 1.00 0.00 O ATOM 693 CB SER A 50 -11.909 8.082 -4.454 1.00 0.00 C ATOM 694 OG SER A 50 -13.203 8.180 -3.890 1.00 0.00 O ATOM 0 H SER A 50 -13.182 10.598 -5.358 1.00 0.00 H new ATOM 0 HA SER A 50 -10.553 9.347 -5.548 1.00 0.00 H new ATOM 0 HB2 SER A 50 -11.800 7.114 -4.943 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.164 8.123 -3.659 1.00 0.00 H new ATOM 0 HG SER A 50 -13.357 7.421 -3.290 1.00 0.00 H new ATOM 700 N PRO A 51 -11.262 8.076 -7.649 1.00 0.00 N ATOM 701 CA PRO A 51 -9.963 7.545 -7.245 1.00 0.00 C ATOM 702 C PRO A 51 -8.911 8.660 -7.158 1.00 0.00 C ATOM 703 O PRO A 51 -9.059 9.734 -7.740 1.00 0.00 O ATOM 704 CB PRO A 51 -9.612 6.499 -8.305 1.00 0.00 C ATOM 705 CG PRO A 51 -10.247 7.090 -9.552 1.00 0.00 C ATOM 706 CD PRO A 51 -11.551 7.678 -9.015 1.00 0.00 C ATOM 0 HA PRO A 51 -9.990 7.102 -6.249 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -8.535 6.375 -8.415 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.023 5.519 -8.063 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.615 7.853 -10.006 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -10.428 6.331 -10.313 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.873 8.531 -9.613 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.356 6.944 -9.048 1.00 0.00 H new ATOM 714 N VAL A 52 -7.859 8.413 -6.388 1.00 0.00 N ATOM 715 CA VAL A 52 -6.752 9.314 -6.136 1.00 0.00 C ATOM 716 C VAL A 52 -5.553 8.397 -5.920 1.00 0.00 C ATOM 717 O VAL A 52 -5.630 7.438 -5.157 1.00 0.00 O ATOM 718 CB VAL A 52 -7.060 10.273 -4.960 1.00 0.00 C ATOM 719 CG1 VAL A 52 -7.525 9.604 -3.655 1.00 0.00 C ATOM 720 CG2 VAL A 52 -5.867 11.193 -4.662 1.00 0.00 C ATOM 0 H VAL A 52 -7.754 7.526 -5.896 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.552 9.998 -6.960 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.913 10.849 -5.318 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.712 10.368 -2.901 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.442 9.045 -3.840 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.751 8.924 -3.299 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.116 11.854 -3.832 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.999 10.589 -4.398 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.639 11.790 -5.545 1.00 0.00 H new ATOM 730 N ILE A 53 -4.495 8.614 -6.686 1.00 0.00 N ATOM 731 CA ILE A 53 -3.323 7.779 -6.819 1.00 0.00 C ATOM 732 C ILE A 53 -2.131 8.732 -6.696 1.00 0.00 C ATOM 733 O ILE A 53 -2.065 9.715 -7.441 1.00 0.00 O ATOM 734 CB ILE A 53 -3.449 7.070 -8.186 1.00 0.00 C ATOM 735 CG1 ILE A 53 -4.605 6.031 -8.170 1.00 0.00 C ATOM 736 CG2 ILE A 53 -2.136 6.409 -8.628 1.00 0.00 C ATOM 737 CD1 ILE A 53 -5.702 6.258 -9.214 1.00 0.00 C ATOM 0 H ILE A 53 -4.434 9.445 -7.275 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.203 6.998 -6.068 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.682 7.843 -8.919 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.181 5.038 -8.322 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.062 6.035 -7.180 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.279 5.925 -9.594 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.358 7.167 -8.714 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.837 5.664 -7.890 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.460 5.481 -9.120 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.161 7.234 -9.054 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.267 6.221 -10.213 1.00 0.00 H new ATOM 749 N LEU A 54 -1.233 8.486 -5.736 1.00 0.00 N ATOM 750 CA LEU A 54 -0.036 9.307 -5.525 1.00 0.00 C ATOM 751 C LEU A 54 1.036 8.857 -6.512 1.00 0.00 C ATOM 752 O LEU A 54 1.315 7.656 -6.595 1.00 0.00 O ATOM 753 CB LEU A 54 0.534 9.152 -4.106 1.00 0.00 C ATOM 754 CG LEU A 54 -0.404 9.524 -2.945 1.00 0.00 C ATOM 755 CD1 LEU A 54 0.349 9.310 -1.625 1.00 0.00 C ATOM 756 CD2 LEU A 54 -0.910 10.970 -3.024 1.00 0.00 C ATOM 0 H LEU A 54 -1.316 7.709 -5.081 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.317 10.350 -5.669 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.845 8.116 -3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.431 9.766 -4.030 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.284 8.883 -3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.301 9.569 -0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.648 8.265 -1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.236 9.944 -1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.567 11.172 -2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.062 11.654 -2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.461 11.112 -3.954 1.00 0.00 H new ATOM 768 N SER A 55 1.622 9.797 -7.247 1.00 0.00 N ATOM 769 CA SER A 55 2.688 9.536 -8.197 1.00 0.00 C ATOM 770 C SER A 55 4.035 9.351 -7.504 1.00 0.00 C ATOM 771 O SER A 55 4.167 9.600 -6.306 1.00 0.00 O ATOM 772 CB SER A 55 2.739 10.708 -9.186 1.00 0.00 C ATOM 773 OG SER A 55 2.957 11.948 -8.535 1.00 0.00 O ATOM 0 H SER A 55 1.360 10.781 -7.195 1.00 0.00 H new ATOM 0 HA SER A 55 2.482 8.604 -8.723 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.534 10.535 -9.911 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.803 10.752 -9.744 1.00 0.00 H new ATOM 0 HG SER A 55 2.984 12.667 -9.201 1.00 0.00 H new ATOM 779 N ASP A 56 5.053 8.974 -8.281 1.00 0.00 N ATOM 780 CA ASP A 56 6.420 8.756 -7.823 1.00 0.00 C ATOM 781 C ASP A 56 6.996 9.989 -7.110 1.00 0.00 C ATOM 782 O ASP A 56 7.774 9.878 -6.168 1.00 0.00 O ATOM 783 CB ASP A 56 7.249 8.397 -9.063 1.00 0.00 C ATOM 784 CG ASP A 56 8.474 7.535 -8.770 1.00 0.00 C ATOM 785 OD1 ASP A 56 8.514 6.850 -7.727 1.00 0.00 O ATOM 786 OD2 ASP A 56 9.329 7.487 -9.684 1.00 0.00 O ATOM 0 H ASP A 56 4.940 8.807 -9.281 1.00 0.00 H new ATOM 0 HA ASP A 56 6.445 7.953 -7.087 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.611 7.871 -9.773 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.574 9.318 -9.548 1.00 0.00 H new ATOM 791 N GLU A 57 6.557 11.187 -7.509 1.00 0.00 N ATOM 792 CA GLU A 57 6.923 12.449 -6.876 1.00 0.00 C ATOM 793 C GLU A 57 6.306 12.569 -5.473 1.00 0.00 C ATOM 794 O GLU A 57 6.986 12.984 -4.535 1.00 0.00 O ATOM 795 CB GLU A 57 6.462 13.614 -7.772 1.00 0.00 C ATOM 796 CG GLU A 57 7.444 13.986 -8.899 1.00 0.00 C ATOM 797 CD GLU A 57 8.766 14.601 -8.398 1.00 0.00 C ATOM 798 OE1 GLU A 57 8.888 14.919 -7.186 1.00 0.00 O ATOM 799 OE2 GLU A 57 9.700 14.769 -9.207 1.00 0.00 O ATOM 0 H GLU A 57 5.923 11.304 -8.299 1.00 0.00 H new ATOM 0 HA GLU A 57 8.006 12.484 -6.759 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.501 13.354 -8.217 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.297 14.492 -7.147 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.668 13.093 -9.482 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.958 14.692 -9.572 1.00 0.00 H new ATOM 806 N GLU A 58 5.025 12.231 -5.304 1.00 0.00 N ATOM 807 CA GLU A 58 4.328 12.364 -4.022 1.00 0.00 C ATOM 808 C GLU A 58 4.817 11.325 -3.003 1.00 0.00 C ATOM 809 O GLU A 58 4.683 11.525 -1.796 1.00 0.00 O ATOM 810 CB GLU A 58 2.808 12.238 -4.240 1.00 0.00 C ATOM 811 CG GLU A 58 2.154 13.564 -4.659 1.00 0.00 C ATOM 812 CD GLU A 58 2.213 14.635 -3.561 1.00 0.00 C ATOM 813 OE1 GLU A 58 2.261 14.295 -2.355 1.00 0.00 O ATOM 814 OE2 GLU A 58 2.207 15.839 -3.898 1.00 0.00 O ATOM 0 H GLU A 58 4.442 11.857 -6.053 1.00 0.00 H new ATOM 0 HA GLU A 58 4.551 13.349 -3.613 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.617 11.486 -5.006 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.342 11.883 -3.321 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.650 13.941 -5.553 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.113 13.381 -4.925 1.00 0.00 H new ATOM 821 N LEU A 59 5.419 10.237 -3.486 1.00 0.00 N ATOM 822 CA LEU A 59 5.918 9.087 -2.732 1.00 0.00 C ATOM 823 C LEU A 59 7.126 9.386 -1.836 1.00 0.00 C ATOM 824 O LEU A 59 7.576 8.499 -1.110 1.00 0.00 O ATOM 825 CB LEU A 59 6.245 7.977 -3.754 1.00 0.00 C ATOM 826 CG LEU A 59 5.219 6.837 -3.824 1.00 0.00 C ATOM 827 CD1 LEU A 59 5.459 5.840 -2.683 1.00 0.00 C ATOM 828 CD2 LEU A 59 3.761 7.319 -3.793 1.00 0.00 C ATOM 0 H LEU A 59 5.582 10.129 -4.487 1.00 0.00 H new ATOM 0 HA LEU A 59 5.141 8.778 -2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.332 8.428 -4.742 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.219 7.554 -3.509 1.00 0.00 H new ATOM 0 HG LEU A 59 5.367 6.352 -4.789 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.726 5.036 -2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.462 5.423 -2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.360 6.352 -1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.093 6.460 -3.846 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.578 7.865 -2.867 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.577 7.975 -4.644 1.00 0.00 H new ATOM 840 N ALA A 60 7.630 10.621 -1.840 1.00 0.00 N ATOM 841 CA ALA A 60 8.773 11.085 -1.066 1.00 0.00 C ATOM 842 C ALA A 60 8.411 11.307 0.417 1.00 0.00 C ATOM 843 O ALA A 60 8.765 12.337 0.993 1.00 0.00 O ATOM 844 CB ALA A 60 9.331 12.352 -1.732 1.00 0.00 C ATOM 0 H ALA A 60 7.227 11.361 -2.415 1.00 0.00 H new ATOM 0 HA ALA A 60 9.547 10.318 -1.062 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.189 12.714 -1.165 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.641 12.121 -2.751 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.560 13.122 -1.753 1.00 0.00 H new ATOM 850 N VAL A 61 7.696 10.366 1.030 1.00 0.00 N ATOM 851 CA VAL A 61 7.160 10.440 2.393 1.00 0.00 C ATOM 852 C VAL A 61 7.478 9.154 3.181 1.00 0.00 C ATOM 853 O VAL A 61 7.900 8.158 2.588 1.00 0.00 O ATOM 854 CB VAL A 61 5.650 10.765 2.328 1.00 0.00 C ATOM 855 CG1 VAL A 61 5.409 12.195 1.822 1.00 0.00 C ATOM 856 CG2 VAL A 61 4.849 9.799 1.436 1.00 0.00 C ATOM 0 H VAL A 61 7.462 9.487 0.569 1.00 0.00 H new ATOM 0 HA VAL A 61 7.644 11.247 2.943 1.00 0.00 H new ATOM 0 HB VAL A 61 5.296 10.655 3.353 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.338 12.393 1.788 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.888 12.905 2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 61 5.830 12.303 0.823 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.798 10.088 1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.234 9.840 0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.947 8.784 1.820 1.00 0.00 H new ATOM 866 N GLU A 62 7.291 9.161 4.511 1.00 0.00 N ATOM 867 CA GLU A 62 7.757 8.082 5.392 1.00 0.00 C ATOM 868 C GLU A 62 6.705 6.990 5.579 1.00 0.00 C ATOM 869 O GLU A 62 6.988 5.828 5.323 1.00 0.00 O ATOM 870 CB GLU A 62 8.209 8.603 6.771 1.00 0.00 C ATOM 871 CG GLU A 62 9.297 9.675 6.690 1.00 0.00 C ATOM 872 CD GLU A 62 10.375 9.541 7.784 1.00 0.00 C ATOM 873 OE1 GLU A 62 11.362 8.798 7.588 1.00 0.00 O ATOM 874 OE2 GLU A 62 10.265 10.239 8.827 1.00 0.00 O ATOM 0 H GLU A 62 6.813 9.915 5.004 1.00 0.00 H new ATOM 0 HA GLU A 62 8.620 7.649 4.887 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.346 9.011 7.297 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.578 7.766 7.364 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.775 9.623 5.712 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.833 10.659 6.766 1.00 0.00 H new ATOM 881 N LYS A 63 5.517 7.312 6.095 1.00 0.00 N ATOM 882 CA LYS A 63 4.462 6.314 6.352 1.00 0.00 C ATOM 883 C LYS A 63 3.057 6.908 6.403 1.00 0.00 C ATOM 884 O LYS A 63 2.931 8.117 6.594 1.00 0.00 O ATOM 885 CB LYS A 63 4.788 5.584 7.660 1.00 0.00 C ATOM 886 CG LYS A 63 4.720 6.447 8.935 1.00 0.00 C ATOM 887 CD LYS A 63 6.099 6.767 9.534 1.00 0.00 C ATOM 888 CE LYS A 63 6.790 5.522 10.102 1.00 0.00 C ATOM 889 NZ LYS A 63 6.144 5.030 11.334 1.00 0.00 N ATOM 0 H LYS A 63 5.254 8.265 6.347 1.00 0.00 H new ATOM 0 HA LYS A 63 4.453 5.619 5.512 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.098 4.748 7.771 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.790 5.162 7.581 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.207 7.381 8.705 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.119 5.929 9.683 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.732 7.212 8.766 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.986 7.509 10.324 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.783 4.732 9.351 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.834 5.753 10.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.978 4.006 11.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.762 5.218 12.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.236 5.518 11.468 1.00 0.00 H new ATOM 903 N VAL A 64 2.010 6.077 6.299 1.00 0.00 N ATOM 904 CA VAL A 64 0.629 6.514 6.504 1.00 0.00 C ATOM 905 C VAL A 64 -0.286 5.312 6.809 1.00 0.00 C ATOM 906 O VAL A 64 0.009 4.173 6.433 1.00 0.00 O ATOM 907 CB VAL A 64 0.168 7.341 5.278 1.00 0.00 C ATOM 908 CG1 VAL A 64 -0.055 6.478 4.035 1.00 0.00 C ATOM 909 CG2 VAL A 64 -1.101 8.149 5.563 1.00 0.00 C ATOM 0 H VAL A 64 2.100 5.087 6.071 1.00 0.00 H new ATOM 0 HA VAL A 64 0.566 7.163 7.378 1.00 0.00 H new ATOM 0 HB VAL A 64 0.987 8.031 5.078 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.377 7.109 3.207 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.875 5.976 3.769 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.823 5.733 4.243 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.382 8.711 4.672 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.910 7.471 5.835 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.915 8.841 6.385 1.00 0.00 H new ATOM 919 N THR A 65 -1.457 5.576 7.397 1.00 0.00 N ATOM 920 CA THR A 65 -2.535 4.615 7.623 1.00 0.00 C ATOM 921 C THR A 65 -3.770 5.042 6.817 1.00 0.00 C ATOM 922 O THR A 65 -4.602 5.814 7.302 1.00 0.00 O ATOM 923 CB THR A 65 -2.870 4.537 9.121 1.00 0.00 C ATOM 924 OG1 THR A 65 -1.713 4.527 9.929 1.00 0.00 O ATOM 925 CG2 THR A 65 -3.730 3.312 9.449 1.00 0.00 C ATOM 0 H THR A 65 -1.687 6.508 7.743 1.00 0.00 H new ATOM 0 HA THR A 65 -2.217 3.626 7.293 1.00 0.00 H new ATOM 0 HB THR A 65 -3.439 5.439 9.345 1.00 0.00 H new ATOM 0 HG1 THR A 65 -1.973 4.478 10.873 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.945 3.294 10.518 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.665 3.364 8.892 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.193 2.405 9.171 1.00 0.00 H new ATOM 933 N LEU A 66 -3.885 4.593 5.567 1.00 0.00 N ATOM 934 CA LEU A 66 -5.054 4.918 4.750 1.00 0.00 C ATOM 935 C LEU A 66 -6.208 3.992 5.114 1.00 0.00 C ATOM 936 O LEU A 66 -5.984 2.803 5.375 1.00 0.00 O ATOM 937 CB LEU A 66 -4.743 4.762 3.254 1.00 0.00 C ATOM 938 CG LEU A 66 -3.687 5.720 2.685 1.00 0.00 C ATOM 939 CD1 LEU A 66 -3.462 5.392 1.208 1.00 0.00 C ATOM 940 CD2 LEU A 66 -4.070 7.191 2.840 1.00 0.00 C ATOM 0 H LEU A 66 -3.190 4.009 5.102 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.326 5.955 4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.411 3.739 3.077 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.668 4.898 2.694 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.770 5.576 3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.713 6.068 0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.114 4.363 1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.398 5.511 0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.284 7.818 2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.006 7.381 2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.194 7.425 3.897 1.00 0.00 H new ATOM 952 N SER A 67 -7.446 4.493 5.052 1.00 0.00 N ATOM 953 CA SER A 67 -8.624 3.648 5.217 1.00 0.00 C ATOM 954 C SER A 67 -9.827 4.271 4.501 1.00 0.00 C ATOM 955 O SER A 67 -9.845 5.461 4.190 1.00 0.00 O ATOM 956 CB SER A 67 -8.890 3.417 6.708 1.00 0.00 C ATOM 957 OG SER A 67 -9.867 2.404 6.906 1.00 0.00 O ATOM 0 H SER A 67 -7.654 5.478 4.889 1.00 0.00 H new ATOM 0 HA SER A 67 -8.448 2.675 4.759 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.963 3.133 7.206 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.227 4.346 7.168 1.00 0.00 H new ATOM 0 HG SER A 67 -9.795 1.736 6.193 1.00 0.00 H new ATOM 963 N THR A 68 -10.844 3.458 4.243 1.00 0.00 N ATOM 964 CA THR A 68 -12.011 3.808 3.447 1.00 0.00 C ATOM 965 C THR A 68 -13.105 4.435 4.317 1.00 0.00 C ATOM 966 O THR A 68 -13.256 4.060 5.486 1.00 0.00 O ATOM 967 CB THR A 68 -12.494 2.505 2.794 1.00 0.00 C ATOM 968 OG1 THR A 68 -12.618 1.460 3.748 1.00 0.00 O ATOM 969 CG2 THR A 68 -11.496 2.023 1.739 1.00 0.00 C ATOM 0 H THR A 68 -10.879 2.502 4.596 1.00 0.00 H new ATOM 0 HA THR A 68 -11.762 4.553 2.691 1.00 0.00 H new ATOM 0 HB THR A 68 -13.462 2.727 2.345 1.00 0.00 H new ATOM 0 HG1 THR A 68 -13.228 1.740 4.462 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.859 1.099 1.290 1.00 0.00 H new ATOM 0 HG22 THR A 68 -11.388 2.784 0.966 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.529 1.843 2.208 1.00 0.00 H new ATOM 977 N THR A 69 -13.911 5.337 3.752 1.00 0.00 N ATOM 978 CA THR A 69 -15.005 5.966 4.486 1.00 0.00 C ATOM 979 C THR A 69 -16.272 5.091 4.466 1.00 0.00 C ATOM 980 O THR A 69 -16.965 5.002 5.480 1.00 0.00 O ATOM 981 CB THR A 69 -15.252 7.367 3.907 1.00 0.00 C ATOM 982 OG1 THR A 69 -15.583 7.286 2.539 1.00 0.00 O ATOM 983 CG2 THR A 69 -14.010 8.265 4.062 1.00 0.00 C ATOM 0 H THR A 69 -13.824 5.647 2.784 1.00 0.00 H new ATOM 0 HA THR A 69 -14.730 6.068 5.536 1.00 0.00 H new ATOM 0 HB THR A 69 -16.080 7.804 4.464 1.00 0.00 H new ATOM 0 HG1 THR A 69 -14.767 7.152 2.013 1.00 0.00 H new ATOM 0 HG21 THR A 69 -14.218 9.249 3.642 1.00 0.00 H new ATOM 0 HG22 THR A 69 -13.764 8.366 5.119 1.00 0.00 H new ATOM 0 HG23 THR A 69 -13.168 7.816 3.535 1.00 0.00 H new ATOM 991 N GLY A 70 -16.575 4.437 3.336 1.00 0.00 N ATOM 992 CA GLY A 70 -17.782 3.643 3.102 1.00 0.00 C ATOM 993 C GLY A 70 -17.423 2.218 2.691 1.00 0.00 C ATOM 994 O GLY A 70 -17.117 1.413 3.559 1.00 0.00 O ATOM 0 H GLY A 70 -15.955 4.450 2.526 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.390 3.623 4.006 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.384 4.110 2.323 1.00 0.00 H new ATOM 998 N LYS A 71 -17.394 1.866 1.397 1.00 0.00 N ATOM 999 CA LYS A 71 -16.938 0.552 0.912 1.00 0.00 C ATOM 1000 C LYS A 71 -16.057 0.706 -0.327 1.00 0.00 C ATOM 1001 O LYS A 71 -16.481 1.314 -1.308 1.00 0.00 O ATOM 1002 CB LYS A 71 -18.146 -0.331 0.559 1.00 0.00 C ATOM 1003 CG LYS A 71 -19.075 -0.710 1.722 1.00 0.00 C ATOM 1004 CD LYS A 71 -18.400 -1.541 2.820 1.00 0.00 C ATOM 1005 CE LYS A 71 -19.431 -2.182 3.757 1.00 0.00 C ATOM 1006 NZ LYS A 71 -20.019 -3.408 3.178 1.00 0.00 N ATOM 0 H LYS A 71 -17.690 2.492 0.648 1.00 0.00 H new ATOM 0 HA LYS A 71 -16.358 0.084 1.707 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -18.738 0.185 -0.197 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -17.777 -1.249 0.103 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -19.474 0.202 2.166 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -19.923 -1.270 1.327 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -17.788 -2.320 2.364 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -17.728 -0.905 3.397 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -18.956 -2.422 4.708 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -20.224 -1.465 3.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -20.710 -3.809 3.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -20.495 -3.176 2.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -19.266 -4.103 3.000 1.00 0.00 H new ATOM 1020 N ALA A 72 -14.838 0.163 -0.312 1.00 0.00 N ATOM 1021 CA ALA A 72 -14.007 0.041 -1.501 1.00 0.00 C ATOM 1022 C ALA A 72 -14.517 -1.069 -2.400 1.00 0.00 C ATOM 1023 O ALA A 72 -14.884 -2.152 -1.939 1.00 0.00 O ATOM 1024 CB ALA A 72 -12.558 -0.278 -1.138 1.00 0.00 C ATOM 0 H ALA A 72 -14.401 -0.205 0.533 1.00 0.00 H new ATOM 0 HA ALA A 72 -14.053 1.000 -2.018 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -11.965 -0.362 -2.049 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -12.155 0.520 -0.515 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.519 -1.220 -0.591 1.00 0.00 H new ATOM 1030 N ILE A 73 -14.446 -0.796 -3.698 1.00 0.00 N ATOM 1031 CA ILE A 73 -14.828 -1.715 -4.753 1.00 0.00 C ATOM 1032 C ILE A 73 -13.602 -2.558 -5.123 1.00 0.00 C ATOM 1033 O ILE A 73 -13.638 -3.778 -4.971 1.00 0.00 O ATOM 1034 CB ILE A 73 -15.441 -0.912 -5.925 1.00 0.00 C ATOM 1035 CG1 ILE A 73 -16.531 0.044 -5.383 1.00 0.00 C ATOM 1036 CG2 ILE A 73 -15.992 -1.866 -6.982 1.00 0.00 C ATOM 1037 CD1 ILE A 73 -17.641 0.471 -6.348 1.00 0.00 C ATOM 0 H ILE A 73 -14.110 0.100 -4.051 1.00 0.00 H new ATOM 0 HA ILE A 73 -15.602 -2.415 -4.438 1.00 0.00 H new ATOM 0 HB ILE A 73 -14.671 -0.306 -6.403 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -16.999 -0.433 -4.522 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -16.037 0.945 -5.019 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -16.421 -1.291 -7.803 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -15.186 -2.494 -7.361 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -16.763 -2.495 -6.538 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -18.333 1.139 -5.834 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -17.202 0.989 -7.201 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -18.179 -0.411 -6.697 1.00 0.00 H new ATOM 1049 N GLU A 74 -12.497 -1.904 -5.489 1.00 0.00 N ATOM 1050 CA GLU A 74 -11.220 -2.500 -5.880 1.00 0.00 C ATOM 1051 C GLU A 74 -10.133 -1.915 -4.964 1.00 0.00 C ATOM 1052 O GLU A 74 -10.344 -0.841 -4.386 1.00 0.00 O ATOM 1053 CB GLU A 74 -10.861 -2.130 -7.337 1.00 0.00 C ATOM 1054 CG GLU A 74 -11.954 -2.195 -8.417 1.00 0.00 C ATOM 1055 CD GLU A 74 -12.185 -3.576 -9.020 1.00 0.00 C ATOM 1056 OE1 GLU A 74 -11.195 -4.217 -9.425 1.00 0.00 O ATOM 1057 OE2 GLU A 74 -13.369 -3.950 -9.192 1.00 0.00 O ATOM 0 H GLU A 74 -12.470 -0.885 -5.522 1.00 0.00 H new ATOM 0 HA GLU A 74 -11.290 -3.585 -5.796 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.466 -1.114 -7.330 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.049 -2.785 -7.652 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -12.891 -1.842 -7.986 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.693 -1.504 -9.219 1.00 0.00 H new ATOM 1064 N PHE A 75 -8.982 -2.591 -4.871 1.00 0.00 N ATOM 1065 CA PHE A 75 -7.786 -2.264 -4.090 1.00 0.00 C ATOM 1066 C PHE A 75 -6.642 -3.179 -4.587 1.00 0.00 C ATOM 1067 O PHE A 75 -6.937 -4.239 -5.146 1.00 0.00 O ATOM 1068 CB PHE A 75 -8.146 -2.535 -2.619 1.00 0.00 C ATOM 1069 CG PHE A 75 -7.054 -2.536 -1.568 1.00 0.00 C ATOM 1070 CD1 PHE A 75 -5.960 -1.649 -1.621 1.00 0.00 C ATOM 1071 CD2 PHE A 75 -7.194 -3.404 -0.468 1.00 0.00 C ATOM 1072 CE1 PHE A 75 -4.989 -1.674 -0.604 1.00 0.00 C ATOM 1073 CE2 PHE A 75 -6.253 -3.390 0.569 1.00 0.00 C ATOM 1074 CZ PHE A 75 -5.146 -2.529 0.501 1.00 0.00 C ATOM 0 H PHE A 75 -8.854 -3.461 -5.389 1.00 0.00 H new ATOM 0 HA PHE A 75 -7.461 -1.229 -4.196 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.884 -1.790 -2.322 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.639 -3.506 -2.578 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.868 -0.952 -2.441 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.032 -4.084 -0.424 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.121 -1.035 -0.672 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -6.379 -4.042 1.421 1.00 0.00 H new ATOM 0 HZ PHE A 75 -4.416 -2.524 1.297 1.00 0.00 H new ATOM 1084 N ALA A 76 -5.359 -2.824 -4.394 1.00 0.00 N ATOM 1085 CA ALA A 76 -4.234 -3.732 -4.656 1.00 0.00 C ATOM 1086 C ALA A 76 -3.053 -3.479 -3.710 1.00 0.00 C ATOM 1087 O ALA A 76 -2.810 -2.343 -3.286 1.00 0.00 O ATOM 1088 CB ALA A 76 -3.785 -3.597 -6.115 1.00 0.00 C ATOM 0 H ALA A 76 -5.077 -1.905 -4.054 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.581 -4.749 -4.473 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -2.951 -4.273 -6.303 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.614 -3.851 -6.776 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.471 -2.571 -6.306 1.00 0.00 H new ATOM 1094 N VAL A 77 -2.273 -4.529 -3.433 1.00 0.00 N ATOM 1095 CA VAL A 77 -1.179 -4.578 -2.454 1.00 0.00 C ATOM 1096 C VAL A 77 -0.002 -5.335 -3.093 1.00 0.00 C ATOM 1097 O VAL A 77 0.535 -6.301 -2.554 1.00 0.00 O ATOM 1098 CB VAL A 77 -1.672 -5.193 -1.118 1.00 0.00 C ATOM 1099 CG1 VAL A 77 -0.609 -5.127 -0.001 1.00 0.00 C ATOM 1100 CG2 VAL A 77 -2.944 -4.499 -0.614 1.00 0.00 C ATOM 0 H VAL A 77 -2.395 -5.420 -3.914 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.831 -3.578 -2.196 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.880 -6.239 -1.342 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.010 -5.572 0.910 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.280 -5.676 -0.312 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.345 -4.087 0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.261 -4.956 0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.741 -3.440 -0.452 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.736 -4.607 -1.356 1.00 0.00 H new ATOM 1110 N SER A 78 0.389 -4.928 -4.290 1.00 0.00 N ATOM 1111 CA SER A 78 1.584 -5.462 -4.922 1.00 0.00 C ATOM 1112 C SER A 78 2.820 -4.885 -4.212 1.00 0.00 C ATOM 1113 O SER A 78 2.719 -3.989 -3.367 1.00 0.00 O ATOM 1114 CB SER A 78 1.537 -5.182 -6.429 1.00 0.00 C ATOM 1115 OG SER A 78 0.284 -5.596 -6.948 1.00 0.00 O ATOM 0 H SER A 78 -0.105 -4.228 -4.844 1.00 0.00 H new ATOM 0 HA SER A 78 1.641 -6.546 -4.821 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.687 -4.119 -6.617 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.345 -5.712 -6.934 1.00 0.00 H new ATOM 0 HG SER A 78 0.253 -5.416 -7.911 1.00 0.00 H new ATOM 1121 N GLY A 79 3.991 -5.423 -4.525 1.00 0.00 N ATOM 1122 CA GLY A 79 5.241 -5.113 -3.864 1.00 0.00 C ATOM 1123 C GLY A 79 6.329 -5.506 -4.836 1.00 0.00 C ATOM 1124 O GLY A 79 6.630 -6.683 -4.971 1.00 0.00 O ATOM 0 H GLY A 79 4.095 -6.110 -5.272 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.301 -4.053 -3.618 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.335 -5.663 -2.928 1.00 0.00 H new ATOM 1128 N GLY A 80 6.834 -4.530 -5.570 1.00 0.00 N ATOM 1129 CA GLY A 80 7.845 -4.667 -6.599 1.00 0.00 C ATOM 1130 C GLY A 80 8.096 -3.281 -7.170 1.00 0.00 C ATOM 1131 O GLY A 80 7.263 -2.381 -7.002 1.00 0.00 O ATOM 0 H GLY A 80 6.530 -3.563 -5.455 1.00 0.00 H new ATOM 0 HA2 GLY A 80 8.763 -5.084 -6.184 1.00 0.00 H new ATOM 0 HA3 GLY A 80 7.509 -5.350 -7.380 1.00 0.00 H new ATOM 1135 N VAL A 81 9.241 -3.077 -7.808 1.00 0.00 N ATOM 1136 CA VAL A 81 9.747 -1.753 -8.153 1.00 0.00 C ATOM 1137 C VAL A 81 10.635 -1.859 -9.387 1.00 0.00 C ATOM 1138 O VAL A 81 10.717 -2.936 -9.993 1.00 0.00 O ATOM 1139 CB VAL A 81 10.374 -1.147 -6.875 1.00 0.00 C ATOM 1140 CG1 VAL A 81 11.688 -1.835 -6.489 1.00 0.00 C ATOM 1141 CG2 VAL A 81 10.522 0.379 -6.924 1.00 0.00 C ATOM 0 H VAL A 81 9.854 -3.837 -8.105 1.00 0.00 H new ATOM 0 HA VAL A 81 8.974 -1.047 -8.458 1.00 0.00 H new ATOM 0 HB VAL A 81 9.655 -1.349 -6.081 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.089 -1.374 -5.586 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.504 -2.894 -6.305 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.407 -1.727 -7.301 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.968 0.731 -5.994 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.162 0.656 -7.762 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.541 0.836 -7.051 1.00 0.00 H new ATOM 1295 N MET A 93 17.085 -0.514 2.657 1.00 0.00 N ATOM 1296 CA MET A 93 15.801 0.179 2.772 1.00 0.00 C ATOM 1297 C MET A 93 14.668 -0.797 3.098 1.00 0.00 C ATOM 1298 O MET A 93 14.115 -1.428 2.195 1.00 0.00 O ATOM 1299 CB MET A 93 15.475 1.046 1.535 1.00 0.00 C ATOM 1300 CG MET A 93 15.799 0.422 0.169 1.00 0.00 C ATOM 1301 SD MET A 93 15.573 1.580 -1.207 1.00 0.00 S ATOM 1302 CE MET A 93 16.208 0.557 -2.565 1.00 0.00 C ATOM 0 HA MET A 93 15.894 0.871 3.609 1.00 0.00 H new ATOM 0 HB2 MET A 93 14.413 1.291 1.557 1.00 0.00 H new ATOM 0 HB3 MET A 93 16.020 1.986 1.621 1.00 0.00 H new ATOM 0 HG2 MET A 93 16.829 0.067 0.173 1.00 0.00 H new ATOM 0 HG3 MET A 93 15.162 -0.449 0.013 1.00 0.00 H new ATOM 0 HE1 MET A 93 16.113 1.100 -3.505 1.00 0.00 H new ATOM 0 HE2 MET A 93 17.258 0.324 -2.385 1.00 0.00 H new ATOM 0 HE3 MET A 93 15.636 -0.369 -2.621 1.00 0.00 H new ATOM 1312 N GLN A 94 14.308 -0.943 4.380 1.00 0.00 N ATOM 1313 CA GLN A 94 13.120 -1.708 4.749 1.00 0.00 C ATOM 1314 C GLN A 94 11.855 -0.980 4.285 1.00 0.00 C ATOM 1315 O GLN A 94 11.607 0.172 4.645 1.00 0.00 O ATOM 1316 CB GLN A 94 13.040 -1.986 6.267 1.00 0.00 C ATOM 1317 CG GLN A 94 13.784 -3.271 6.653 1.00 0.00 C ATOM 1318 CD GLN A 94 13.457 -3.802 8.053 1.00 0.00 C ATOM 1319 OE1 GLN A 94 14.294 -3.830 8.953 1.00 0.00 O ATOM 1320 NE2 GLN A 94 12.260 -4.330 8.243 1.00 0.00 N ATOM 0 H GLN A 94 14.819 -0.545 5.168 1.00 0.00 H new ATOM 0 HA GLN A 94 13.196 -2.672 4.247 1.00 0.00 H new ATOM 0 HB2 GLN A 94 13.464 -1.143 6.813 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.995 -2.067 6.567 1.00 0.00 H new ATOM 0 HG2 GLN A 94 13.550 -4.044 5.922 1.00 0.00 H new ATOM 0 HG3 GLN A 94 14.857 -3.087 6.590 1.00 0.00 H new ATOM 0 HE21 GLN A 94 11.567 -4.306 7.495 1.00 0.00 H new ATOM 0 HE22 GLN A 94 12.029 -4.762 9.138 1.00 0.00 H new ATOM 1329 N TRP A 95 10.998 -1.710 3.577 1.00 0.00 N ATOM 1330 CA TRP A 95 9.562 -1.465 3.482 1.00 0.00 C ATOM 1331 C TRP A 95 8.847 -2.597 4.216 1.00 0.00 C ATOM 1332 O TRP A 95 9.347 -3.727 4.224 1.00 0.00 O ATOM 1333 CB TRP A 95 9.134 -1.449 2.009 1.00 0.00 C ATOM 1334 CG TRP A 95 9.011 -0.110 1.374 1.00 0.00 C ATOM 1335 CD1 TRP A 95 9.747 0.989 1.649 1.00 0.00 C ATOM 1336 CD2 TRP A 95 8.076 0.281 0.332 1.00 0.00 C ATOM 1337 NE1 TRP A 95 9.318 2.035 0.860 1.00 0.00 N ATOM 1338 CE2 TRP A 95 8.249 1.669 0.067 1.00 0.00 C ATOM 1339 CE3 TRP A 95 7.099 -0.413 -0.412 1.00 0.00 C ATOM 1340 CZ2 TRP A 95 7.435 2.357 -0.845 1.00 0.00 C ATOM 1341 CZ3 TRP A 95 6.276 0.268 -1.329 1.00 0.00 C ATOM 1342 CH2 TRP A 95 6.432 1.653 -1.532 1.00 0.00 C ATOM 0 H TRP A 95 11.296 -2.520 3.033 1.00 0.00 H new ATOM 0 HA TRP A 95 9.309 -0.502 3.926 1.00 0.00 H new ATOM 0 HB2 TRP A 95 9.854 -2.034 1.437 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.173 -1.957 1.926 1.00 0.00 H new ATOM 0 HD1 TRP A 95 10.546 1.040 2.373 1.00 0.00 H new ATOM 0 HE1 TRP A 95 9.738 2.964 0.862 1.00 0.00 H new ATOM 0 HE3 TRP A 95 6.981 -1.478 -0.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.577 3.414 -1.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 5.521 -0.274 -1.879 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.780 2.175 -2.217 1.00 0.00 H new ATOM 1353 N VAL A 96 7.671 -2.347 4.788 1.00 0.00 N ATOM 1354 CA VAL A 96 6.832 -3.369 5.411 1.00 0.00 C ATOM 1355 C VAL A 96 5.399 -3.081 4.943 1.00 0.00 C ATOM 1356 O VAL A 96 5.000 -1.912 4.923 1.00 0.00 O ATOM 1357 CB VAL A 96 7.050 -3.328 6.945 1.00 0.00 C ATOM 1358 CG1 VAL A 96 6.065 -4.231 7.699 1.00 0.00 C ATOM 1359 CG2 VAL A 96 8.487 -3.757 7.338 1.00 0.00 C ATOM 0 H VAL A 96 7.267 -1.411 4.832 1.00 0.00 H new ATOM 0 HA VAL A 96 7.077 -4.391 5.122 1.00 0.00 H new ATOM 0 HB VAL A 96 6.882 -2.289 7.230 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.259 -4.167 8.770 1.00 0.00 H new ATOM 0 HG12 VAL A 96 5.045 -3.906 7.495 1.00 0.00 H new ATOM 0 HG13 VAL A 96 6.191 -5.262 7.369 1.00 0.00 H new ATOM 0 HG21 VAL A 96 8.596 -3.714 8.422 1.00 0.00 H new ATOM 0 HG22 VAL A 96 8.669 -4.776 6.995 1.00 0.00 H new ATOM 0 HG23 VAL A 96 9.208 -3.084 6.874 1.00 0.00 H new ATOM 1369 N VAL A 97 4.659 -4.103 4.482 1.00 0.00 N ATOM 1370 CA VAL A 97 3.394 -3.958 3.785 1.00 0.00 C ATOM 1371 C VAL A 97 2.325 -4.861 4.407 1.00 0.00 C ATOM 1372 O VAL A 97 2.165 -6.028 4.020 1.00 0.00 O ATOM 1373 CB VAL A 97 3.594 -4.136 2.265 1.00 0.00 C ATOM 1374 CG1 VAL A 97 3.976 -2.818 1.579 1.00 0.00 C ATOM 1375 CG2 VAL A 97 4.701 -5.126 1.864 1.00 0.00 C ATOM 0 H VAL A 97 4.943 -5.076 4.593 1.00 0.00 H new ATOM 0 HA VAL A 97 3.012 -2.945 3.909 1.00 0.00 H new ATOM 0 HB VAL A 97 2.625 -4.518 1.945 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.107 -2.989 0.510 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.185 -2.084 1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 97 4.907 -2.443 2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.763 -5.181 0.777 1.00 0.00 H new ATOM 0 HG22 VAL A 97 5.656 -4.786 2.266 1.00 0.00 H new ATOM 0 HG23 VAL A 97 4.469 -6.113 2.265 1.00 0.00 H new ATOM 1385 N THR A 98 1.577 -4.285 5.347 1.00 0.00 N ATOM 1386 CA THR A 98 0.586 -4.947 6.185 1.00 0.00 C ATOM 1387 C THR A 98 -0.807 -4.399 5.839 1.00 0.00 C ATOM 1388 O THR A 98 -0.972 -3.191 5.632 1.00 0.00 O ATOM 1389 CB THR A 98 0.994 -4.699 7.650 1.00 0.00 C ATOM 1390 OG1 THR A 98 2.338 -5.106 7.832 1.00 0.00 O ATOM 1391 CG2 THR A 98 0.147 -5.453 8.669 1.00 0.00 C ATOM 0 H THR A 98 1.653 -3.289 5.553 1.00 0.00 H new ATOM 0 HA THR A 98 0.544 -6.023 6.018 1.00 0.00 H new ATOM 0 HB THR A 98 0.848 -3.633 7.824 1.00 0.00 H new ATOM 0 HG1 THR A 98 2.604 -4.949 8.762 1.00 0.00 H new ATOM 0 HG21 THR A 98 0.499 -5.224 9.675 1.00 0.00 H new ATOM 0 HG22 THR A 98 -0.895 -5.150 8.571 1.00 0.00 H new ATOM 0 HG23 THR A 98 0.231 -6.525 8.490 1.00 0.00 H new ATOM 1399 N VAL A 99 -1.802 -5.284 5.722 1.00 0.00 N ATOM 1400 CA VAL A 99 -3.151 -4.962 5.260 1.00 0.00 C ATOM 1401 C VAL A 99 -4.204 -5.489 6.236 1.00 0.00 C ATOM 1402 O VAL A 99 -4.079 -6.586 6.799 1.00 0.00 O ATOM 1403 CB VAL A 99 -3.399 -5.575 3.871 1.00 0.00 C ATOM 1404 CG1 VAL A 99 -4.625 -4.939 3.206 1.00 0.00 C ATOM 1405 CG2 VAL A 99 -2.217 -5.446 2.902 1.00 0.00 C ATOM 0 H VAL A 99 -1.685 -6.271 5.953 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.233 -3.877 5.202 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.555 -6.636 4.063 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.781 -5.388 2.225 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.505 -5.109 3.827 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.462 -3.867 3.093 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.477 -5.904 1.948 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -1.986 -4.392 2.748 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.346 -5.950 3.321 1.00 0.00 H new ATOM 1415 N TYR A 100 -5.284 -4.721 6.360 1.00 0.00 N ATOM 1416 CA TYR A 100 -6.401 -4.950 7.246 1.00 0.00 C ATOM 1417 C TYR A 100 -7.681 -4.956 6.417 1.00 0.00 C ATOM 1418 O TYR A 100 -7.818 -4.224 5.434 1.00 0.00 O ATOM 1419 CB TYR A 100 -6.405 -3.886 8.353 1.00 0.00 C ATOM 1420 CG TYR A 100 -5.149 -3.890 9.208 1.00 0.00 C ATOM 1421 CD1 TYR A 100 -3.967 -3.257 8.770 1.00 0.00 C ATOM 1422 CD2 TYR A 100 -5.152 -4.588 10.426 1.00 0.00 C ATOM 1423 CE1 TYR A 100 -2.772 -3.396 9.502 1.00 0.00 C ATOM 1424 CE2 TYR A 100 -3.967 -4.724 11.167 1.00 0.00 C ATOM 1425 CZ TYR A 100 -2.761 -4.178 10.678 1.00 0.00 C ATOM 1426 OH TYR A 100 -1.585 -4.467 11.297 1.00 0.00 O ATOM 0 H TYR A 100 -5.400 -3.872 5.806 1.00 0.00 H new ATOM 0 HA TYR A 100 -6.323 -5.917 7.743 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -6.522 -2.902 7.899 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -7.271 -4.045 8.995 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -3.979 -2.663 7.868 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -6.070 -5.022 10.795 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -1.869 -2.907 9.166 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -3.979 -5.247 12.112 1.00 0.00 H new ATOM 0 HH TYR A 100 -1.268 -5.346 11.003 1.00 0.00 H new ATOM 1436 N LYS A 101 -8.608 -5.841 6.779 1.00 0.00 N ATOM 1437 CA LYS A 101 -9.941 -5.887 6.196 1.00 0.00 C ATOM 1438 C LYS A 101 -10.818 -4.860 6.909 1.00 0.00 C ATOM 1439 O LYS A 101 -10.340 -4.032 7.680 1.00 0.00 O ATOM 1440 CB LYS A 101 -10.510 -7.322 6.294 1.00 0.00 C ATOM 1441 CG LYS A 101 -11.268 -7.701 5.011 1.00 0.00 C ATOM 1442 CD LYS A 101 -10.267 -8.130 3.936 1.00 0.00 C ATOM 1443 CE LYS A 101 -10.907 -8.228 2.553 1.00 0.00 C ATOM 1444 NZ LYS A 101 -9.896 -8.552 1.530 1.00 0.00 N ATOM 0 H LYS A 101 -8.450 -6.552 7.493 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.911 -5.632 5.137 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.698 -8.029 6.463 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.179 -7.394 7.151 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -11.968 -8.511 5.215 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.855 -6.853 4.659 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.444 -7.416 3.903 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.840 -9.096 4.205 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.683 -8.994 2.560 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.393 -7.284 2.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -10.353 -8.614 0.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -9.170 -7.807 1.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -9.451 -9.464 1.758 1.00 0.00 H new ATOM 1458 N ASN A 102 -12.126 -4.968 6.695 1.00 0.00 N ATOM 1459 CA ASN A 102 -13.103 -4.490 7.653 1.00 0.00 C ATOM 1460 C ASN A 102 -12.939 -5.296 8.953 1.00 0.00 C ATOM 1461 O ASN A 102 -13.538 -6.361 9.102 1.00 0.00 O ATOM 1462 CB ASN A 102 -14.533 -4.513 7.066 1.00 0.00 C ATOM 1463 CG ASN A 102 -15.122 -5.884 6.764 1.00 0.00 C ATOM 1464 OD1 ASN A 102 -14.633 -6.560 5.736 1.00 0.00 O flip ATOM 1465 ND2 ASN A 102 -16.082 -6.315 7.396 1.00 0.00 N flip ATOM 0 H ASN A 102 -12.531 -5.387 5.858 1.00 0.00 H new ATOM 0 HA ASN A 102 -12.929 -3.440 7.889 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -15.197 -4.003 7.764 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -14.533 -3.931 6.144 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -16.451 -5.786 8.186 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -16.511 -7.202 7.131 1.00 0.00 H new ATOM 1472 N GLY A 103 -12.070 -4.829 9.848 1.00 0.00 N ATOM 1473 CA GLY A 103 -11.983 -5.280 11.231 1.00 0.00 C ATOM 1474 C GLY A 103 -11.316 -6.639 11.410 1.00 0.00 C ATOM 1475 O GLY A 103 -11.954 -7.560 11.926 1.00 0.00 O ATOM 0 H GLY A 103 -11.388 -4.105 9.622 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -11.430 -4.539 11.808 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -12.988 -5.324 11.650 1.00 0.00 H new ATOM 1479 N LYS A 104 -10.056 -6.746 10.965 1.00 0.00 N ATOM 1480 CA LYS A 104 -9.021 -7.749 11.222 1.00 0.00 C ATOM 1481 C LYS A 104 -7.809 -7.441 10.346 1.00 0.00 C ATOM 1482 O LYS A 104 -7.942 -6.709 9.367 1.00 0.00 O ATOM 1483 CB LYS A 104 -9.529 -9.152 10.918 1.00 0.00 C ATOM 1484 CG LYS A 104 -9.933 -9.375 9.453 1.00 0.00 C ATOM 1485 CD LYS A 104 -11.008 -10.452 9.375 1.00 0.00 C ATOM 1486 CE LYS A 104 -11.478 -10.663 7.933 1.00 0.00 C ATOM 1487 NZ LYS A 104 -12.851 -11.195 7.920 1.00 0.00 N ATOM 0 H LYS A 104 -9.695 -6.033 10.331 1.00 0.00 H new ATOM 0 HA LYS A 104 -8.747 -7.711 12.276 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -8.754 -9.871 11.182 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -10.388 -9.361 11.555 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -10.304 -8.445 9.023 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.063 -9.673 8.867 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.618 -11.388 9.774 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.856 -10.169 9.999 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -11.440 -9.720 7.388 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.807 -11.353 7.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -13.160 -11.334 6.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -12.875 -12.105 8.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -13.489 -10.522 8.391 1.00 0.00 H new ATOM 1501 N GLU A 105 -6.657 -8.038 10.641 1.00 0.00 N ATOM 1502 CA GLU A 105 -5.515 -8.085 9.728 1.00 0.00 C ATOM 1503 C GLU A 105 -5.640 -9.371 8.931 1.00 0.00 C ATOM 1504 O GLU A 105 -6.043 -10.389 9.501 1.00 0.00 O ATOM 1505 CB GLU A 105 -4.196 -8.085 10.509 1.00 0.00 C ATOM 1506 CG GLU A 105 -2.978 -7.757 9.633 1.00 0.00 C ATOM 1507 CD GLU A 105 -1.688 -7.978 10.424 1.00 0.00 C ATOM 1508 OE1 GLU A 105 -1.273 -7.077 11.201 1.00 0.00 O ATOM 1509 OE2 GLU A 105 -1.121 -9.083 10.313 1.00 0.00 O ATOM 0 H GLU A 105 -6.487 -8.508 11.530 1.00 0.00 H new ATOM 0 HA GLU A 105 -5.512 -7.212 9.076 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -4.260 -7.358 11.319 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -4.053 -9.063 10.969 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -2.980 -8.386 8.743 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -3.033 -6.723 9.293 1.00 0.00 H new ATOM 1516 N ILE A 106 -5.260 -9.337 7.653 1.00 0.00 N ATOM 1517 CA ILE A 106 -5.178 -10.535 6.821 1.00 0.00 C ATOM 1518 C ILE A 106 -3.804 -10.690 6.155 1.00 0.00 C ATOM 1519 O ILE A 106 -3.519 -11.747 5.586 1.00 0.00 O ATOM 1520 CB ILE A 106 -6.343 -10.587 5.804 1.00 0.00 C ATOM 1521 CG1 ILE A 106 -6.345 -9.422 4.785 1.00 0.00 C ATOM 1522 CG2 ILE A 106 -7.700 -10.662 6.526 1.00 0.00 C ATOM 1523 CD1 ILE A 106 -7.095 -9.774 3.488 1.00 0.00 C ATOM 0 H ILE A 106 -5.001 -8.478 7.167 1.00 0.00 H new ATOM 0 HA ILE A 106 -5.287 -11.398 7.478 1.00 0.00 H new ATOM 0 HB ILE A 106 -6.182 -11.497 5.226 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -6.806 -8.546 5.241 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -5.317 -9.152 4.544 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -8.503 -10.698 5.789 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.734 -11.559 7.144 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -7.825 -9.782 7.157 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -7.066 -8.922 2.808 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -6.619 -10.633 3.014 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -8.132 -10.017 3.722 1.00 0.00 H new ATOM 1535 N GLU A 107 -2.921 -9.688 6.229 1.00 0.00 N ATOM 1536 CA GLU A 107 -1.674 -9.687 5.476 1.00 0.00 C ATOM 1537 C GLU A 107 -0.587 -8.956 6.248 1.00 0.00 C ATOM 1538 O GLU A 107 -0.850 -7.886 6.795 1.00 0.00 O ATOM 1539 CB GLU A 107 -1.918 -8.932 4.170 1.00 0.00 C ATOM 1540 CG GLU A 107 -1.027 -9.413 3.024 1.00 0.00 C ATOM 1541 CD GLU A 107 -1.910 -10.038 1.940 1.00 0.00 C ATOM 1542 OE1 GLU A 107 -2.686 -9.270 1.326 1.00 0.00 O ATOM 1543 OE2 GLU A 107 -1.837 -11.266 1.718 1.00 0.00 O ATOM 0 H GLU A 107 -3.055 -8.861 6.811 1.00 0.00 H new ATOM 0 HA GLU A 107 -1.357 -10.714 5.297 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -2.963 -9.045 3.882 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -1.746 -7.868 4.334 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.458 -8.579 2.613 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.304 -10.143 3.389 1.00 0.00 H new ATOM 1550 N LYS A 108 0.642 -9.463 6.187 1.00 0.00 N ATOM 1551 CA LYS A 108 1.824 -8.850 6.786 1.00 0.00 C ATOM 1552 C LYS A 108 3.059 -9.373 6.072 1.00 0.00 C ATOM 1553 O LYS A 108 3.200 -10.585 5.902 1.00 0.00 O ATOM 1554 CB LYS A 108 1.905 -9.133 8.300 1.00 0.00 C ATOM 1555 CG LYS A 108 1.851 -10.612 8.741 1.00 0.00 C ATOM 1556 CD LYS A 108 2.312 -10.824 10.190 1.00 0.00 C ATOM 1557 CE LYS A 108 1.497 -9.980 11.174 1.00 0.00 C ATOM 1558 NZ LYS A 108 2.111 -9.905 12.513 1.00 0.00 N ATOM 0 H LYS A 108 0.849 -10.338 5.705 1.00 0.00 H new ATOM 0 HA LYS A 108 1.760 -7.768 6.670 1.00 0.00 H new ATOM 0 HB2 LYS A 108 2.832 -8.701 8.676 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.086 -8.604 8.788 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.831 -10.981 8.633 1.00 0.00 H new ATOM 0 HG3 LYS A 108 2.477 -11.207 8.076 1.00 0.00 H new ATOM 0 HD2 LYS A 108 2.219 -11.878 10.451 1.00 0.00 H new ATOM 0 HD3 LYS A 108 3.368 -10.566 10.277 1.00 0.00 H new ATOM 0 HE2 LYS A 108 1.385 -8.972 10.774 1.00 0.00 H new ATOM 0 HE3 LYS A 108 0.495 -10.401 11.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 1.516 -9.322 13.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 2.194 -10.862 12.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 3.056 -9.478 12.438 1.00 0.00 H new ATOM 1572 N LYS A 109 3.928 -8.505 5.571 1.00 0.00 N ATOM 1573 CA LYS A 109 5.246 -8.901 5.117 1.00 0.00 C ATOM 1574 C LYS A 109 6.236 -7.753 5.140 1.00 0.00 C ATOM 1575 O LYS A 109 5.843 -6.587 5.149 1.00 0.00 O ATOM 1576 CB LYS A 109 5.184 -9.498 3.710 1.00 0.00 C ATOM 1577 CG LYS A 109 4.232 -8.853 2.712 1.00 0.00 C ATOM 1578 CD LYS A 109 2.921 -9.629 2.563 1.00 0.00 C ATOM 1579 CE LYS A 109 2.017 -9.009 1.504 1.00 0.00 C ATOM 1580 NZ LYS A 109 1.845 -7.544 1.655 1.00 0.00 N ATOM 0 H LYS A 109 3.735 -7.509 5.470 1.00 0.00 H new ATOM 0 HA LYS A 109 5.598 -9.659 5.817 1.00 0.00 H new ATOM 0 HB2 LYS A 109 6.188 -9.465 3.286 1.00 0.00 H new ATOM 0 HB3 LYS A 109 4.912 -10.549 3.803 1.00 0.00 H new ATOM 0 HG2 LYS A 109 4.013 -7.834 3.031 1.00 0.00 H new ATOM 0 HG3 LYS A 109 4.722 -8.784 1.741 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.138 -10.663 2.296 1.00 0.00 H new ATOM 0 HD3 LYS A 109 2.400 -9.650 3.520 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.431 -9.218 0.517 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.039 -9.488 1.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 0.890 -7.273 1.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 1.972 -7.281 2.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 2.552 -7.050 1.074 1.00 0.00 H new ATOM 1594 N SER A 110 7.506 -8.127 5.049 1.00 0.00 N ATOM 1595 CA SER A 110 8.671 -7.280 4.958 1.00 0.00 C ATOM 1596 C SER A 110 9.284 -7.387 3.567 1.00 0.00 C ATOM 1597 O SER A 110 9.132 -8.392 2.871 1.00 0.00 O ATOM 1598 CB SER A 110 9.710 -7.711 6.002 1.00 0.00 C ATOM 1599 OG SER A 110 9.565 -9.062 6.405 1.00 0.00 O ATOM 0 H SER A 110 7.760 -9.115 5.037 1.00 0.00 H new ATOM 0 HA SER A 110 8.372 -6.249 5.144 1.00 0.00 H new ATOM 0 HB2 SER A 110 10.710 -7.565 5.593 1.00 0.00 H new ATOM 0 HB3 SER A 110 9.627 -7.066 6.877 1.00 0.00 H new ATOM 0 HG SER A 110 10.253 -9.281 7.068 1.00 0.00 H new ATOM 1605 N LEU A 111 10.039 -6.355 3.211 1.00 0.00 N ATOM 1606 CA LEU A 111 10.781 -6.167 1.979 1.00 0.00 C ATOM 1607 C LEU A 111 12.258 -5.969 2.380 1.00 0.00 C ATOM 1608 O LEU A 111 12.875 -4.977 2.002 1.00 0.00 O ATOM 1609 CB LEU A 111 10.143 -4.951 1.260 1.00 0.00 C ATOM 1610 CG LEU A 111 10.247 -4.940 -0.280 1.00 0.00 C ATOM 1611 CD1 LEU A 111 8.896 -4.544 -0.890 1.00 0.00 C ATOM 1612 CD2 LEU A 111 11.315 -3.962 -0.778 1.00 0.00 C ATOM 0 H LEU A 111 10.155 -5.558 3.837 1.00 0.00 H new ATOM 0 HA LEU A 111 10.745 -7.008 1.286 1.00 0.00 H new ATOM 0 HB2 LEU A 111 9.089 -4.906 1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 111 10.610 -4.043 1.642 1.00 0.00 H new ATOM 0 HG LEU A 111 10.530 -5.946 -0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 111 8.975 -4.538 -1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 111 8.135 -5.262 -0.586 1.00 0.00 H new ATOM 0 HD13 LEU A 111 8.617 -3.550 -0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 111 11.353 -3.988 -1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 111 11.067 -2.953 -0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 111 12.286 -4.248 -0.374 1.00 0.00 H new ATOM 1827 N ASN A 125 2.164 -9.703 -5.726 1.00 0.00 N ATOM 1828 CA ASN A 125 1.186 -9.322 -6.734 1.00 0.00 C ATOM 1829 C ASN A 125 -0.205 -9.597 -6.162 1.00 0.00 C ATOM 1830 O ASN A 125 -0.910 -10.511 -6.602 1.00 0.00 O ATOM 1831 CB ASN A 125 1.484 -10.071 -8.048 1.00 0.00 C ATOM 1832 CG ASN A 125 0.700 -9.541 -9.245 1.00 0.00 C ATOM 1833 OD1 ASN A 125 1.277 -9.114 -10.235 1.00 0.00 O ATOM 1834 ND2 ASN A 125 -0.621 -9.523 -9.211 1.00 0.00 N ATOM 0 HA ASN A 125 1.237 -8.261 -6.979 1.00 0.00 H new ATOM 0 HB2 ASN A 125 2.550 -10.000 -8.263 1.00 0.00 H new ATOM 0 HB3 ASN A 125 1.255 -11.128 -7.914 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -1.147 -9.156 -10.004 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -1.115 -9.876 -8.391 1.00 0.00 H new ATOM 1841 N LEU A 126 -0.592 -8.840 -5.134 1.00 0.00 N ATOM 1842 CA LEU A 126 -1.851 -9.025 -4.419 1.00 0.00 C ATOM 1843 C LEU A 126 -2.878 -8.053 -4.987 1.00 0.00 C ATOM 1844 O LEU A 126 -2.596 -6.857 -5.079 1.00 0.00 O ATOM 1845 CB LEU A 126 -1.682 -8.709 -2.928 1.00 0.00 C ATOM 1846 CG LEU A 126 -0.622 -9.515 -2.162 1.00 0.00 C ATOM 1847 CD1 LEU A 126 -0.250 -8.844 -0.838 1.00 0.00 C ATOM 1848 CD2 LEU A 126 -1.143 -10.900 -1.812 1.00 0.00 C ATOM 0 H LEU A 126 -0.030 -8.070 -4.771 1.00 0.00 H new ATOM 0 HA LEU A 126 -2.170 -10.061 -4.536 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -1.439 -7.651 -2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -2.644 -8.861 -2.438 1.00 0.00 H new ATOM 0 HG LEU A 126 0.246 -9.573 -2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 126 0.502 -9.443 -0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.151 -7.849 -1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -1.137 -8.761 -0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -0.375 -11.452 -1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -2.032 -10.807 -1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -1.397 -11.435 -2.727 1.00 0.00 H new ATOM 1860 N TYR A 127 -4.083 -8.530 -5.288 1.00 0.00 N ATOM 1861 CA TYR A 127 -5.181 -7.702 -5.774 1.00 0.00 C ATOM 1862 C TYR A 127 -6.431 -8.031 -4.962 1.00 0.00 C ATOM 1863 O TYR A 127 -6.624 -9.196 -4.606 1.00 0.00 O ATOM 1864 CB TYR A 127 -5.375 -7.960 -7.273 1.00 0.00 C ATOM 1865 CG TYR A 127 -6.056 -6.816 -7.986 1.00 0.00 C ATOM 1866 CD1 TYR A 127 -5.274 -5.756 -8.480 1.00 0.00 C ATOM 1867 CD2 TYR A 127 -7.457 -6.785 -8.114 1.00 0.00 C ATOM 1868 CE1 TYR A 127 -5.891 -4.651 -9.084 1.00 0.00 C ATOM 1869 CE2 TYR A 127 -8.081 -5.685 -8.725 1.00 0.00 C ATOM 1870 CZ TYR A 127 -7.295 -4.621 -9.211 1.00 0.00 C ATOM 1871 OH TYR A 127 -7.888 -3.536 -9.767 1.00 0.00 O ATOM 0 H TYR A 127 -4.327 -9.517 -5.200 1.00 0.00 H new ATOM 0 HA TYR A 127 -4.966 -6.641 -5.649 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -4.404 -8.141 -7.733 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -5.965 -8.867 -7.407 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -4.198 -5.793 -8.394 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -8.052 -7.606 -7.743 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -5.295 -3.828 -9.450 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -9.156 -5.655 -8.822 1.00 0.00 H new ATOM 0 HH TYR A 127 -8.859 -3.667 -9.785 1.00 0.00 H new ATOM 1881 N TYR A 128 -7.268 -7.041 -4.648 1.00 0.00 N ATOM 1882 CA TYR A 128 -8.443 -7.218 -3.804 1.00 0.00 C ATOM 1883 C TYR A 128 -9.622 -6.477 -4.416 1.00 0.00 C ATOM 1884 O TYR A 128 -9.727 -5.254 -4.338 1.00 0.00 O ATOM 1885 CB TYR A 128 -8.169 -6.787 -2.359 1.00 0.00 C ATOM 1886 CG TYR A 128 -7.250 -7.734 -1.608 1.00 0.00 C ATOM 1887 CD1 TYR A 128 -7.783 -8.853 -0.937 1.00 0.00 C ATOM 1888 CD2 TYR A 128 -5.859 -7.511 -1.581 1.00 0.00 C ATOM 1889 CE1 TYR A 128 -6.946 -9.773 -0.298 1.00 0.00 C ATOM 1890 CE2 TYR A 128 -5.014 -8.421 -0.920 1.00 0.00 C ATOM 1891 CZ TYR A 128 -5.555 -9.575 -0.306 1.00 0.00 C ATOM 1892 OH TYR A 128 -4.782 -10.460 0.370 1.00 0.00 O ATOM 0 H TYR A 128 -7.145 -6.084 -4.978 1.00 0.00 H new ATOM 0 HA TYR A 128 -8.693 -8.278 -3.758 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -7.726 -5.791 -2.363 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -9.116 -6.713 -1.825 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -8.852 -9.002 -0.916 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -5.442 -6.642 -2.068 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -7.368 -10.633 0.200 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -3.950 -8.238 -0.881 1.00 0.00 H new ATOM 0 HH TYR A 128 -3.866 -10.117 0.428 1.00 0.00 H new ATOM 1902 N ASN A 129 -10.510 -7.234 -5.043 1.00 0.00 N ATOM 1903 CA ASN A 129 -11.759 -6.781 -5.642 1.00 0.00 C ATOM 1904 C ASN A 129 -12.764 -7.896 -5.508 1.00 0.00 C ATOM 1905 O ASN A 129 -12.337 -9.049 -5.287 1.00 0.00 O ATOM 1906 CB ASN A 129 -11.603 -6.369 -7.116 1.00 0.00 C ATOM 1907 CG ASN A 129 -11.456 -7.505 -8.129 1.00 0.00 C ATOM 1908 OD1 ASN A 129 -10.912 -8.645 -7.748 1.00 0.00 O flip ATOM 1909 ND2 ASN A 129 -11.821 -7.365 -9.289 1.00 0.00 N flip ATOM 0 H ASN A 129 -10.371 -8.238 -5.154 1.00 0.00 H new ATOM 0 HA ASN A 129 -12.093 -5.885 -5.118 1.00 0.00 H new ATOM 0 HB2 ASN A 129 -12.470 -5.771 -7.397 1.00 0.00 H new ATOM 0 HB3 ASN A 129 -10.729 -5.722 -7.199 1.00 0.00 H new ATOM 0 HD21 ASN A 129 -12.242 -6.486 -9.589 1.00 0.00 H new ATOM 0 HD22 ASN A 129 -11.704 -8.128 -9.956 1.00 0.00 H new