USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 672 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 67 THR OG1 : rot -116:sc= -0.105 USER MOD Set 1.2: A 69 SER OG : rot -77:sc= 0.194 USER MOD Single : A 16 SER OG : rot 82:sc= 0.0761 USER MOD Single : A 17 LYS NZ :NH3+ -143:sc= 1.72 (180deg=0.662) USER MOD Single : A 24 ASN : amide:sc=0.000793 K(o=0.00079,f=-1.5) USER MOD Single : A 26 LYS NZ :NH3+ -161:sc= 0.435 (180deg=0.344) USER MOD Single : A 27 THR OG1 : rot 44:sc= 0.0256 USER MOD Single : A 32 HIS : no HD1:sc= -0.885 K(o=-0.89,f=-0.3) USER MOD Single : A 35 LYS NZ :NH3+ -153:sc= 1.17 (180deg=0.495) USER MOD Single : A 37 THR OG1 : rot -138:sc= 0.0183 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -149:sc= -0.926 (180deg=-2.24) USER MOD Single : A 59 THR OG1 : rot 90:sc= -0.0791 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.595) USER MOD Single : A 77 THR OG1 : rot -110:sc= 0.21 USER MOD Single : A 79 LYS NZ :NH3+ 178:sc= -0.295 (180deg=-0.302) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.673 K(o=-0.67,f=-2.5!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0.00129 USER MOD Single : A 93 GLN : amide:sc= -0.379 X(o=-0.38,f=-0.5) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 128 N ALA A 9 9.930 7.492 3.973 1.00 0.00 N ATOM 129 CA ALA A 9 10.060 7.856 2.532 1.00 0.00 C ATOM 130 C ALA A 9 10.144 6.587 1.678 1.00 0.00 C ATOM 131 O ALA A 9 9.551 6.508 0.619 1.00 0.00 O ATOM 132 CB ALA A 9 11.356 8.665 2.431 1.00 0.00 C ATOM 0 HA ALA A 9 9.204 8.428 2.172 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.517 8.967 1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 9 11.281 9.552 3.061 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.194 8.053 2.764 1.00 0.00 H new ATOM 138 N VAL A 10 10.859 5.587 2.141 1.00 0.00 N ATOM 139 CA VAL A 10 10.960 4.316 1.361 1.00 0.00 C ATOM 140 C VAL A 10 9.583 3.645 1.311 1.00 0.00 C ATOM 141 O VAL A 10 9.168 3.140 0.285 1.00 0.00 O ATOM 142 CB VAL A 10 11.974 3.443 2.118 1.00 0.00 C ATOM 143 CG1 VAL A 10 12.075 2.067 1.452 1.00 0.00 C ATOM 144 CG2 VAL A 10 13.352 4.112 2.090 1.00 0.00 C ATOM 0 H VAL A 10 11.374 5.598 3.021 1.00 0.00 H new ATOM 0 HA VAL A 10 11.281 4.479 0.332 1.00 0.00 H new ATOM 0 HB VAL A 10 11.640 3.327 3.149 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.795 1.453 1.993 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.099 1.582 1.469 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.403 2.186 0.419 1.00 0.00 H new ATOM 0 HG21 VAL A 10 14.069 3.491 2.627 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.678 4.231 1.057 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.291 5.091 2.566 1.00 0.00 H new ATOM 154 N ALA A 11 8.865 3.660 2.409 1.00 0.00 N ATOM 155 CA ALA A 11 7.504 3.046 2.425 1.00 0.00 C ATOM 156 C ALA A 11 6.588 3.804 1.456 1.00 0.00 C ATOM 157 O ALA A 11 5.799 3.210 0.746 1.00 0.00 O ATOM 158 CB ALA A 11 7.009 3.191 3.866 1.00 0.00 C ATOM 0 H ALA A 11 9.165 4.071 3.293 1.00 0.00 H new ATOM 0 HA ALA A 11 7.514 2.002 2.113 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.011 2.760 3.953 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.690 2.669 4.539 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.973 4.247 4.134 1.00 0.00 H new ATOM 164 N ALA A 12 6.704 5.113 1.415 1.00 0.00 N ATOM 165 CA ALA A 12 5.861 5.920 0.482 1.00 0.00 C ATOM 166 C ALA A 12 6.181 5.539 -0.969 1.00 0.00 C ATOM 167 O ALA A 12 5.295 5.404 -1.791 1.00 0.00 O ATOM 168 CB ALA A 12 6.241 7.376 0.755 1.00 0.00 C ATOM 0 H ALA A 12 7.349 5.655 1.990 1.00 0.00 H new ATOM 0 HA ALA A 12 4.795 5.749 0.631 1.00 0.00 H new ATOM 0 HB1 ALA A 12 5.661 8.031 0.105 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.029 7.618 1.796 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.304 7.518 0.558 1.00 0.00 H new ATOM 174 N ALA A 13 7.441 5.352 -1.283 1.00 0.00 N ATOM 175 CA ALA A 13 7.820 4.963 -2.675 1.00 0.00 C ATOM 176 C ALA A 13 7.222 3.592 -3.013 1.00 0.00 C ATOM 177 O ALA A 13 6.745 3.368 -4.110 1.00 0.00 O ATOM 178 CB ALA A 13 9.350 4.907 -2.677 1.00 0.00 C ATOM 0 H ALA A 13 8.222 5.452 -0.634 1.00 0.00 H new ATOM 0 HA ALA A 13 7.447 5.666 -3.420 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.703 4.627 -3.670 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.750 5.886 -2.413 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.688 4.169 -1.950 1.00 0.00 H new ATOM 184 N VAL A 14 7.224 2.680 -2.068 1.00 0.00 N ATOM 185 CA VAL A 14 6.633 1.330 -2.324 1.00 0.00 C ATOM 186 C VAL A 14 5.120 1.476 -2.536 1.00 0.00 C ATOM 187 O VAL A 14 4.540 0.843 -3.399 1.00 0.00 O ATOM 188 CB VAL A 14 6.937 0.498 -1.068 1.00 0.00 C ATOM 189 CG1 VAL A 14 6.371 -0.916 -1.232 1.00 0.00 C ATOM 190 CG2 VAL A 14 8.453 0.407 -0.864 1.00 0.00 C ATOM 0 H VAL A 14 7.609 2.814 -1.133 1.00 0.00 H new ATOM 0 HA VAL A 14 7.044 0.853 -3.213 1.00 0.00 H new ATOM 0 HB VAL A 14 6.477 0.979 -0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.589 -1.501 -0.339 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.292 -0.862 -1.375 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.828 -1.393 -2.099 1.00 0.00 H new ATOM 0 HG21 VAL A 14 8.665 -0.183 0.027 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.909 -0.069 -1.732 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.864 1.409 -0.742 1.00 0.00 H new ATOM 200 N ALA A 15 4.482 2.328 -1.764 1.00 0.00 N ATOM 201 CA ALA A 15 3.013 2.540 -1.929 1.00 0.00 C ATOM 202 C ALA A 15 2.731 3.141 -3.312 1.00 0.00 C ATOM 203 O ALA A 15 1.766 2.789 -3.966 1.00 0.00 O ATOM 204 CB ALA A 15 2.617 3.518 -0.821 1.00 0.00 C ATOM 0 H ALA A 15 4.919 2.883 -1.028 1.00 0.00 H new ATOM 0 HA ALA A 15 2.447 1.611 -1.859 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.548 3.721 -0.880 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.850 3.081 0.150 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.170 4.449 -0.943 1.00 0.00 H new ATOM 210 N SER A 16 3.580 4.035 -3.767 1.00 0.00 N ATOM 211 CA SER A 16 3.381 4.648 -5.113 1.00 0.00 C ATOM 212 C SER A 16 3.497 3.566 -6.193 1.00 0.00 C ATOM 213 O SER A 16 2.728 3.535 -7.136 1.00 0.00 O ATOM 214 CB SER A 16 4.502 5.678 -5.262 1.00 0.00 C ATOM 215 OG SER A 16 4.220 6.799 -4.435 1.00 0.00 O ATOM 0 H SER A 16 4.402 4.364 -3.260 1.00 0.00 H new ATOM 0 HA SER A 16 2.399 5.110 -5.217 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.458 5.236 -4.982 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.588 5.991 -6.302 1.00 0.00 H new ATOM 0 HG SER A 16 4.495 6.604 -3.515 1.00 0.00 H new ATOM 221 N LYS A 17 4.448 2.669 -6.051 1.00 0.00 N ATOM 222 CA LYS A 17 4.605 1.576 -7.056 1.00 0.00 C ATOM 223 C LYS A 17 3.358 0.679 -7.052 1.00 0.00 C ATOM 224 O LYS A 17 2.962 0.159 -8.077 1.00 0.00 O ATOM 225 CB LYS A 17 5.851 0.793 -6.625 1.00 0.00 C ATOM 226 CG LYS A 17 6.220 -0.219 -7.716 1.00 0.00 C ATOM 227 CD LYS A 17 7.741 -0.384 -7.781 1.00 0.00 C ATOM 228 CE LYS A 17 8.283 0.311 -9.036 1.00 0.00 C ATOM 229 NZ LYS A 17 9.124 -0.712 -9.727 1.00 0.00 N ATOM 0 H LYS A 17 5.119 2.650 -5.283 1.00 0.00 H new ATOM 0 HA LYS A 17 4.716 1.960 -8.070 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.682 1.477 -6.452 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.662 0.277 -5.684 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.750 -1.180 -7.507 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.841 0.118 -8.681 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.201 0.043 -6.890 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.001 -1.442 -7.799 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.471 0.650 -9.679 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.871 1.191 -8.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.956 -0.251 -10.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.435 -1.427 -9.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.567 -1.171 -10.476 1.00 0.00 H new ATOM 243 N ILE A 18 2.726 0.508 -5.910 1.00 0.00 N ATOM 244 CA ILE A 18 1.493 -0.335 -5.850 1.00 0.00 C ATOM 245 C ILE A 18 0.411 0.296 -6.735 1.00 0.00 C ATOM 246 O ILE A 18 -0.206 -0.372 -7.542 1.00 0.00 O ATOM 247 CB ILE A 18 1.063 -0.336 -4.374 1.00 0.00 C ATOM 248 CG1 ILE A 18 1.868 -1.390 -3.603 1.00 0.00 C ATOM 249 CG2 ILE A 18 -0.434 -0.656 -4.261 1.00 0.00 C ATOM 250 CD1 ILE A 18 1.452 -2.798 -4.048 1.00 0.00 C ATOM 0 H ILE A 18 3.014 0.917 -5.021 1.00 0.00 H new ATOM 0 HA ILE A 18 1.660 -1.351 -6.207 1.00 0.00 H new ATOM 0 HB ILE A 18 1.251 0.651 -3.951 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.934 -1.245 -3.778 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.702 -1.274 -2.532 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.728 -0.654 -3.211 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.009 0.097 -4.800 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.630 -1.638 -4.691 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.029 -3.540 -3.495 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.390 -2.943 -3.850 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.641 -2.913 -5.115 1.00 0.00 H new ATOM 262 N VAL A 19 0.192 1.583 -6.593 1.00 0.00 N ATOM 263 CA VAL A 19 -0.839 2.271 -7.430 1.00 0.00 C ATOM 264 C VAL A 19 -0.369 2.308 -8.891 1.00 0.00 C ATOM 265 O VAL A 19 -1.144 2.098 -9.805 1.00 0.00 O ATOM 266 CB VAL A 19 -0.956 3.691 -6.851 1.00 0.00 C ATOM 267 CG1 VAL A 19 -1.736 4.588 -7.819 1.00 0.00 C ATOM 268 CG2 VAL A 19 -1.698 3.639 -5.511 1.00 0.00 C ATOM 0 H VAL A 19 0.684 2.185 -5.933 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.802 1.761 -7.414 1.00 0.00 H new ATOM 0 HB VAL A 19 0.045 4.097 -6.705 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.815 5.592 -7.402 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.214 4.632 -8.775 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.735 4.179 -7.970 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.780 4.646 -5.101 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.695 3.226 -5.663 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.147 3.008 -4.814 1.00 0.00 H new ATOM 278 N GLY A 20 0.901 2.560 -9.112 1.00 0.00 N ATOM 279 CA GLY A 20 1.439 2.598 -10.507 1.00 0.00 C ATOM 280 C GLY A 20 1.307 1.210 -11.151 1.00 0.00 C ATOM 281 O GLY A 20 1.115 1.091 -12.347 1.00 0.00 O ATOM 0 H GLY A 20 1.589 2.741 -8.381 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.895 3.336 -11.097 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.484 2.906 -10.496 1.00 0.00 H new ATOM 285 N LEU A 21 1.410 0.161 -10.365 1.00 0.00 N ATOM 286 CA LEU A 21 1.294 -1.224 -10.919 1.00 0.00 C ATOM 287 C LEU A 21 -0.023 -1.878 -10.470 1.00 0.00 C ATOM 288 O LEU A 21 -0.081 -3.070 -10.221 1.00 0.00 O ATOM 289 CB LEU A 21 2.496 -1.975 -10.338 1.00 0.00 C ATOM 290 CG LEU A 21 2.938 -3.075 -11.306 1.00 0.00 C ATOM 291 CD1 LEU A 21 4.147 -2.596 -12.112 1.00 0.00 C ATOM 292 CD2 LEU A 21 3.320 -4.327 -10.511 1.00 0.00 C ATOM 0 H LEU A 21 1.570 0.208 -9.359 1.00 0.00 H new ATOM 0 HA LEU A 21 1.288 -1.234 -12.009 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.318 -1.282 -10.161 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.233 -2.410 -9.374 1.00 0.00 H new ATOM 0 HG LEU A 21 2.120 -3.309 -11.987 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.460 -3.381 -12.800 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.877 -1.704 -12.677 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.967 -2.361 -11.433 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.635 -5.112 -11.198 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.138 -4.090 -9.831 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.459 -4.671 -9.938 1.00 0.00 H new ATOM 304 N TRP A 22 -1.080 -1.110 -10.359 1.00 0.00 N ATOM 305 CA TRP A 22 -2.385 -1.683 -9.921 1.00 0.00 C ATOM 306 C TRP A 22 -3.343 -1.844 -11.111 1.00 0.00 C ATOM 307 O TRP A 22 -3.531 -0.941 -11.905 1.00 0.00 O ATOM 308 CB TRP A 22 -2.947 -0.677 -8.912 1.00 0.00 C ATOM 309 CG TRP A 22 -4.323 -1.094 -8.492 1.00 0.00 C ATOM 310 CD1 TRP A 22 -4.676 -2.345 -8.115 1.00 0.00 C ATOM 311 CD2 TRP A 22 -5.532 -0.287 -8.404 1.00 0.00 C ATOM 312 NE1 TRP A 22 -6.022 -2.358 -7.810 1.00 0.00 N ATOM 313 CE2 TRP A 22 -6.596 -1.112 -7.968 1.00 0.00 C ATOM 314 CE3 TRP A 22 -5.808 1.069 -8.658 1.00 0.00 C ATOM 315 CZ2 TRP A 22 -7.886 -0.612 -7.791 1.00 0.00 C ATOM 316 CZ3 TRP A 22 -7.105 1.576 -8.481 1.00 0.00 C ATOM 317 CH2 TRP A 22 -8.142 0.737 -8.048 1.00 0.00 C ATOM 0 H TRP A 22 -1.092 -0.109 -10.554 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.263 -2.675 -9.487 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.294 -0.618 -8.042 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.978 0.318 -9.356 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -4.012 -3.195 -8.062 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -6.531 -3.188 -7.505 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -5.017 1.724 -8.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.681 -1.263 -7.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -7.305 2.619 -8.679 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -9.138 1.133 -7.913 1.00 0.00 H new ATOM 328 N ARG A 23 -3.964 -2.990 -11.213 1.00 0.00 N ATOM 329 CA ARG A 23 -4.937 -3.241 -12.315 1.00 0.00 C ATOM 330 C ARG A 23 -6.362 -3.041 -11.780 1.00 0.00 C ATOM 331 O ARG A 23 -6.552 -2.453 -10.732 1.00 0.00 O ATOM 332 CB ARG A 23 -4.688 -4.700 -12.721 1.00 0.00 C ATOM 333 CG ARG A 23 -5.015 -4.890 -14.204 1.00 0.00 C ATOM 334 CD ARG A 23 -5.875 -6.145 -14.389 1.00 0.00 C ATOM 335 NE ARG A 23 -6.988 -5.727 -15.291 1.00 0.00 N ATOM 336 CZ ARG A 23 -6.772 -5.562 -16.570 1.00 0.00 C ATOM 337 NH1 ARG A 23 -6.557 -6.600 -17.335 1.00 0.00 N ATOM 338 NH2 ARG A 23 -6.772 -4.357 -17.079 1.00 0.00 N ATOM 0 H ARG A 23 -3.836 -3.772 -10.571 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.820 -2.568 -13.164 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.648 -4.967 -12.532 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.303 -5.365 -12.116 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.544 -4.016 -14.584 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.094 -4.981 -14.780 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.296 -6.958 -14.828 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.257 -6.505 -13.434 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.920 -5.569 -14.909 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.558 -7.538 -16.934 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -6.388 -6.472 -18.333 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.940 -3.550 -16.479 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.604 -4.225 -18.076 1.00 0.00 H new ATOM 352 N ASN A 24 -7.362 -3.519 -12.484 1.00 0.00 N ATOM 353 CA ASN A 24 -8.776 -3.356 -12.007 1.00 0.00 C ATOM 354 C ASN A 24 -8.886 -3.703 -10.515 1.00 0.00 C ATOM 355 O ASN A 24 -9.495 -2.983 -9.746 1.00 0.00 O ATOM 356 CB ASN A 24 -9.595 -4.347 -12.840 1.00 0.00 C ATOM 357 CG ASN A 24 -10.037 -3.682 -14.146 1.00 0.00 C ATOM 358 OD1 ASN A 24 -9.276 -3.610 -15.090 1.00 0.00 O ATOM 359 ND2 ASN A 24 -11.243 -3.192 -14.242 1.00 0.00 N ATOM 0 H ASN A 24 -7.261 -4.016 -13.369 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.127 -2.330 -12.122 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -9.000 -5.234 -13.056 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -10.467 -4.678 -12.276 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.546 -2.749 -15.109 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.882 -3.252 -13.450 1.00 0.00 H new ATOM 366 N GLU A 25 -8.288 -4.798 -10.107 1.00 0.00 N ATOM 367 CA GLU A 25 -8.337 -5.205 -8.667 1.00 0.00 C ATOM 368 C GLU A 25 -7.167 -6.145 -8.333 1.00 0.00 C ATOM 369 O GLU A 25 -7.304 -7.068 -7.549 1.00 0.00 O ATOM 370 CB GLU A 25 -9.681 -5.930 -8.500 1.00 0.00 C ATOM 371 CG GLU A 25 -9.731 -7.162 -9.414 1.00 0.00 C ATOM 372 CD GLU A 25 -10.853 -8.095 -8.955 1.00 0.00 C ATOM 373 OE1 GLU A 25 -10.598 -8.919 -8.091 1.00 0.00 O ATOM 374 OE2 GLU A 25 -11.949 -7.972 -9.477 1.00 0.00 O ATOM 0 H GLU A 25 -7.766 -5.430 -10.714 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.251 -4.350 -7.997 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.814 -6.232 -7.461 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.501 -5.254 -8.742 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.899 -6.855 -10.446 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.775 -7.686 -9.388 1.00 0.00 H new ATOM 381 N LYS A 26 -6.021 -5.920 -8.926 1.00 0.00 N ATOM 382 CA LYS A 26 -4.846 -6.801 -8.656 1.00 0.00 C ATOM 383 C LYS A 26 -3.543 -5.991 -8.688 1.00 0.00 C ATOM 384 O LYS A 26 -3.442 -4.992 -9.370 1.00 0.00 O ATOM 385 CB LYS A 26 -4.868 -7.822 -9.792 1.00 0.00 C ATOM 386 CG LYS A 26 -4.318 -9.162 -9.294 1.00 0.00 C ATOM 387 CD LYS A 26 -2.825 -9.260 -9.618 1.00 0.00 C ATOM 388 CE LYS A 26 -2.549 -10.563 -10.375 1.00 0.00 C ATOM 389 NZ LYS A 26 -1.204 -11.007 -9.914 1.00 0.00 N ATOM 0 H LYS A 26 -5.849 -5.162 -9.587 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.896 -7.269 -7.673 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.886 -7.950 -10.159 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.270 -7.461 -10.629 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.473 -9.253 -8.219 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.857 -9.985 -9.764 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.516 -8.405 -10.220 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.240 -9.231 -8.699 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.308 -11.314 -10.155 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.562 -10.402 -11.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.810 -11.686 -10.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.573 -10.184 -9.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.289 -11.462 -8.982 1.00 0.00 H new ATOM 403 N THR A 27 -2.544 -6.421 -7.959 1.00 0.00 N ATOM 404 CA THR A 27 -1.242 -5.683 -7.949 1.00 0.00 C ATOM 405 C THR A 27 -0.100 -6.646 -7.605 1.00 0.00 C ATOM 406 O THR A 27 -0.328 -7.791 -7.266 1.00 0.00 O ATOM 407 CB THR A 27 -1.406 -4.596 -6.870 1.00 0.00 C ATOM 408 OG1 THR A 27 -0.355 -3.645 -6.988 1.00 0.00 O ATOM 409 CG2 THR A 27 -1.368 -5.224 -5.475 1.00 0.00 C ATOM 0 H THR A 27 -2.573 -7.253 -7.369 1.00 0.00 H new ATOM 0 HA THR A 27 -0.998 -5.245 -8.917 1.00 0.00 H new ATOM 0 HB THR A 27 -2.367 -4.102 -7.012 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.216 -3.427 -7.933 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.485 -4.445 -4.722 1.00 0.00 H new ATOM 0 HG22 THR A 27 -2.179 -5.946 -5.379 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.413 -5.729 -5.329 1.00 0.00 H new ATOM 417 N GLU A 28 1.123 -6.196 -7.692 1.00 0.00 N ATOM 418 CA GLU A 28 2.278 -7.090 -7.369 1.00 0.00 C ATOM 419 C GLU A 28 3.154 -6.453 -6.288 1.00 0.00 C ATOM 420 O GLU A 28 3.354 -5.254 -6.268 1.00 0.00 O ATOM 421 CB GLU A 28 3.062 -7.225 -8.678 1.00 0.00 C ATOM 422 CG GLU A 28 2.584 -8.462 -9.451 1.00 0.00 C ATOM 423 CD GLU A 28 1.360 -8.107 -10.305 1.00 0.00 C ATOM 424 OE1 GLU A 28 1.401 -7.090 -10.983 1.00 0.00 O ATOM 425 OE2 GLU A 28 0.402 -8.861 -10.270 1.00 0.00 O ATOM 0 H GLU A 28 1.375 -5.248 -7.973 1.00 0.00 H new ATOM 0 HA GLU A 28 1.952 -8.058 -6.988 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.926 -6.331 -9.287 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.128 -7.308 -8.466 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.386 -8.835 -10.088 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.332 -9.261 -8.754 1.00 0.00 H new ATOM 432 N LEU A 29 3.692 -7.247 -5.399 1.00 0.00 N ATOM 433 CA LEU A 29 4.573 -6.697 -4.329 1.00 0.00 C ATOM 434 C LEU A 29 5.901 -7.459 -4.320 1.00 0.00 C ATOM 435 O LEU A 29 5.944 -8.638 -4.024 1.00 0.00 O ATOM 436 CB LEU A 29 3.819 -6.910 -3.015 1.00 0.00 C ATOM 437 CG LEU A 29 3.010 -5.654 -2.673 1.00 0.00 C ATOM 438 CD1 LEU A 29 2.129 -5.927 -1.452 1.00 0.00 C ATOM 439 CD2 LEU A 29 3.968 -4.500 -2.357 1.00 0.00 C ATOM 0 H LEU A 29 3.558 -8.258 -5.369 1.00 0.00 H new ATOM 0 HA LEU A 29 4.800 -5.642 -4.483 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.155 -7.770 -3.101 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.523 -7.130 -2.212 1.00 0.00 H new ATOM 0 HG LEU A 29 2.382 -5.387 -3.523 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.555 -5.033 -1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.447 -6.748 -1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.757 -6.195 -0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.393 -3.606 -2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.596 -4.770 -1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.597 -4.302 -3.225 1.00 0.00 H new ATOM 451 N LEU A 30 6.979 -6.792 -4.658 1.00 0.00 N ATOM 452 CA LEU A 30 8.319 -7.459 -4.694 1.00 0.00 C ATOM 453 C LEU A 30 8.298 -8.673 -5.639 1.00 0.00 C ATOM 454 O LEU A 30 9.050 -9.614 -5.468 1.00 0.00 O ATOM 455 CB LEU A 30 8.596 -7.897 -3.251 1.00 0.00 C ATOM 456 CG LEU A 30 10.060 -7.616 -2.906 1.00 0.00 C ATOM 457 CD1 LEU A 30 10.213 -6.151 -2.492 1.00 0.00 C ATOM 458 CD2 LEU A 30 10.493 -8.523 -1.753 1.00 0.00 C ATOM 0 H LEU A 30 6.987 -5.804 -4.913 1.00 0.00 H new ATOM 0 HA LEU A 30 9.094 -6.789 -5.068 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.940 -7.362 -2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.381 -8.959 -3.134 1.00 0.00 H new ATOM 0 HG LEU A 30 10.685 -7.813 -3.777 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.256 -5.949 -2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.903 -5.506 -3.314 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.589 -5.952 -1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.536 -8.324 -1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.869 -8.326 -0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.383 -9.566 -2.049 1.00 0.00 H new ATOM 470 N GLY A 31 7.439 -8.657 -6.634 1.00 0.00 N ATOM 471 CA GLY A 31 7.365 -9.807 -7.586 1.00 0.00 C ATOM 472 C GLY A 31 6.235 -10.766 -7.178 1.00 0.00 C ATOM 473 O GLY A 31 5.807 -11.588 -7.965 1.00 0.00 O ATOM 0 H GLY A 31 6.787 -7.896 -6.825 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.192 -9.440 -8.598 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.316 -10.339 -7.598 1.00 0.00 H new ATOM 477 N HIS A 32 5.751 -10.674 -5.961 1.00 0.00 N ATOM 478 CA HIS A 32 4.655 -11.588 -5.514 1.00 0.00 C ATOM 479 C HIS A 32 3.300 -11.080 -6.010 1.00 0.00 C ATOM 480 O HIS A 32 3.092 -9.890 -6.163 1.00 0.00 O ATOM 481 CB HIS A 32 4.699 -11.557 -3.981 1.00 0.00 C ATOM 482 CG HIS A 32 6.061 -11.975 -3.494 1.00 0.00 C ATOM 483 ND1 HIS A 32 6.588 -13.231 -3.749 1.00 0.00 N ATOM 484 CD2 HIS A 32 7.015 -11.308 -2.769 1.00 0.00 C ATOM 485 CE1 HIS A 32 7.810 -13.277 -3.188 1.00 0.00 C ATOM 486 NE2 HIS A 32 8.120 -12.131 -2.579 1.00 0.00 N ATOM 0 H HIS A 32 6.069 -10.005 -5.260 1.00 0.00 H new ATOM 0 HA HIS A 32 4.785 -12.596 -5.908 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.468 -10.554 -3.623 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.938 -12.223 -3.574 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.922 -10.297 -2.401 1.00 0.00 H new ATOM 0 HE1 HIS A 32 8.461 -14.138 -3.226 1.00 0.00 H new ATOM 0 HE2 HIS A 32 8.982 -11.907 -2.081 1.00 0.00 H new ATOM 494 N GLU A 33 2.375 -11.972 -6.251 1.00 0.00 N ATOM 495 CA GLU A 33 1.024 -11.547 -6.725 1.00 0.00 C ATOM 496 C GLU A 33 0.188 -11.050 -5.537 1.00 0.00 C ATOM 497 O GLU A 33 0.234 -11.609 -4.455 1.00 0.00 O ATOM 498 CB GLU A 33 0.402 -12.802 -7.345 1.00 0.00 C ATOM 499 CG GLU A 33 1.109 -13.125 -8.666 1.00 0.00 C ATOM 500 CD GLU A 33 1.310 -14.637 -8.787 1.00 0.00 C ATOM 501 OE1 GLU A 33 2.196 -15.154 -8.124 1.00 0.00 O ATOM 502 OE2 GLU A 33 0.577 -15.254 -9.541 1.00 0.00 O ATOM 0 H GLU A 33 2.497 -12.979 -6.140 1.00 0.00 H new ATOM 0 HA GLU A 33 1.072 -10.729 -7.444 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.492 -13.643 -6.657 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.662 -12.645 -7.519 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.518 -12.759 -9.505 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.072 -12.616 -8.708 1.00 0.00 H new ATOM 509 N CYS A 34 -0.563 -9.995 -5.731 1.00 0.00 N ATOM 510 CA CYS A 34 -1.395 -9.442 -4.622 1.00 0.00 C ATOM 511 C CYS A 34 -2.764 -9.000 -5.141 1.00 0.00 C ATOM 512 O CYS A 34 -2.979 -8.865 -6.332 1.00 0.00 O ATOM 513 CB CYS A 34 -0.621 -8.225 -4.114 1.00 0.00 C ATOM 514 SG CYS A 34 0.867 -8.763 -3.240 1.00 0.00 S ATOM 0 H CYS A 34 -0.635 -9.491 -6.615 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.570 -10.184 -3.843 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.349 -7.581 -4.950 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.251 -7.634 -3.448 1.00 0.00 H new ATOM 519 N LYS A 35 -3.688 -8.754 -4.250 1.00 0.00 N ATOM 520 CA LYS A 35 -5.043 -8.300 -4.680 1.00 0.00 C ATOM 521 C LYS A 35 -5.368 -6.949 -4.034 1.00 0.00 C ATOM 522 O LYS A 35 -5.736 -6.871 -2.878 1.00 0.00 O ATOM 523 CB LYS A 35 -6.012 -9.383 -4.203 1.00 0.00 C ATOM 524 CG LYS A 35 -7.355 -9.220 -4.926 1.00 0.00 C ATOM 525 CD LYS A 35 -7.969 -10.597 -5.205 1.00 0.00 C ATOM 526 CE LYS A 35 -7.905 -10.896 -6.711 1.00 0.00 C ATOM 527 NZ LYS A 35 -9.310 -11.194 -7.122 1.00 0.00 N ATOM 0 H LYS A 35 -3.563 -8.848 -3.242 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.109 -8.162 -5.759 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.597 -10.371 -4.402 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.155 -9.309 -3.125 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.036 -8.625 -4.317 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.211 -8.680 -5.862 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -7.432 -11.365 -4.649 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.004 -10.621 -4.863 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.507 -10.044 -7.263 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.249 -11.742 -6.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.303 -11.822 -7.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.810 -11.660 -6.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.796 -10.307 -7.364 1.00 0.00 H new ATOM 541 N PHE A 36 -5.227 -5.888 -4.785 1.00 0.00 N ATOM 542 CA PHE A 36 -5.520 -4.527 -4.245 1.00 0.00 C ATOM 543 C PHE A 36 -6.814 -3.998 -4.875 1.00 0.00 C ATOM 544 O PHE A 36 -6.996 -4.059 -6.076 1.00 0.00 O ATOM 545 CB PHE A 36 -4.305 -3.681 -4.660 1.00 0.00 C ATOM 546 CG PHE A 36 -4.486 -2.224 -4.269 1.00 0.00 C ATOM 547 CD1 PHE A 36 -5.266 -1.869 -3.158 1.00 0.00 C ATOM 548 CD2 PHE A 36 -3.862 -1.225 -5.028 1.00 0.00 C ATOM 549 CE1 PHE A 36 -5.420 -0.522 -2.813 1.00 0.00 C ATOM 550 CE2 PHE A 36 -4.017 0.120 -4.680 1.00 0.00 C ATOM 551 CZ PHE A 36 -4.797 0.471 -3.574 1.00 0.00 C ATOM 0 H PHE A 36 -4.919 -5.906 -5.757 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.668 -4.510 -3.165 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.406 -4.077 -4.189 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.159 -3.755 -5.738 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.748 -2.636 -2.569 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.260 -1.495 -5.883 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.021 -0.249 -1.958 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.534 0.888 -5.266 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.918 1.511 -3.307 1.00 0.00 H new ATOM 561 N THR A 37 -7.722 -3.501 -4.074 1.00 0.00 N ATOM 562 CA THR A 37 -9.014 -2.988 -4.626 1.00 0.00 C ATOM 563 C THR A 37 -9.379 -1.634 -4.004 1.00 0.00 C ATOM 564 O THR A 37 -8.939 -1.295 -2.920 1.00 0.00 O ATOM 565 CB THR A 37 -10.073 -4.044 -4.260 1.00 0.00 C ATOM 566 OG1 THR A 37 -9.645 -4.806 -3.130 1.00 0.00 O ATOM 567 CG2 THR A 37 -10.303 -4.974 -5.452 1.00 0.00 C ATOM 0 H THR A 37 -7.625 -3.428 -3.061 1.00 0.00 H new ATOM 0 HA THR A 37 -8.948 -2.832 -5.703 1.00 0.00 H new ATOM 0 HB THR A 37 -11.004 -3.537 -4.008 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.853 -5.753 -3.276 1.00 0.00 H new ATOM 0 HG21 THR A 37 -11.053 -5.721 -5.191 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.652 -4.392 -6.305 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.369 -5.473 -5.710 1.00 0.00 H new ATOM 575 N VAL A 38 -10.193 -0.864 -4.686 1.00 0.00 N ATOM 576 CA VAL A 38 -10.612 0.468 -4.152 1.00 0.00 C ATOM 577 C VAL A 38 -12.141 0.590 -4.212 1.00 0.00 C ATOM 578 O VAL A 38 -12.751 0.343 -5.237 1.00 0.00 O ATOM 579 CB VAL A 38 -9.940 1.506 -5.060 1.00 0.00 C ATOM 580 CG1 VAL A 38 -10.406 2.912 -4.670 1.00 0.00 C ATOM 581 CG2 VAL A 38 -8.419 1.421 -4.899 1.00 0.00 C ATOM 0 H VAL A 38 -10.587 -1.104 -5.596 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.320 0.610 -3.112 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.213 1.304 -6.096 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.927 3.647 -5.317 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.488 2.981 -4.782 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.135 3.110 -3.633 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.943 2.159 -5.545 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.151 1.620 -3.861 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -8.079 0.423 -5.176 1.00 0.00 H new ATOM 591 N LYS A 39 -12.764 0.964 -3.120 1.00 0.00 N ATOM 592 CA LYS A 39 -14.251 1.096 -3.107 1.00 0.00 C ATOM 593 C LYS A 39 -14.677 2.277 -2.220 1.00 0.00 C ATOM 594 O LYS A 39 -14.698 2.164 -1.008 1.00 0.00 O ATOM 595 CB LYS A 39 -14.758 -0.230 -2.527 1.00 0.00 C ATOM 596 CG LYS A 39 -16.163 -0.523 -3.060 1.00 0.00 C ATOM 597 CD LYS A 39 -16.676 -1.835 -2.460 1.00 0.00 C ATOM 598 CE LYS A 39 -16.758 -2.904 -3.557 1.00 0.00 C ATOM 599 NZ LYS A 39 -16.624 -4.208 -2.845 1.00 0.00 N ATOM 0 H LYS A 39 -12.304 1.183 -2.237 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.658 1.290 -4.099 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.080 -1.039 -2.798 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.775 -0.179 -1.438 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.838 0.294 -2.804 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.143 -0.592 -4.148 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.010 -2.167 -1.663 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -17.658 -1.683 -2.012 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.704 -2.845 -4.094 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.965 -2.774 -4.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.671 -4.986 -3.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.711 -4.240 -2.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.397 -4.308 -2.156 1.00 0.00 H new ATOM 613 N PRO A 40 -15.001 3.379 -2.857 1.00 0.00 N ATOM 614 CA PRO A 40 -15.430 4.593 -2.113 1.00 0.00 C ATOM 615 C PRO A 40 -16.866 4.428 -1.592 1.00 0.00 C ATOM 616 O PRO A 40 -17.614 3.593 -2.065 1.00 0.00 O ATOM 617 CB PRO A 40 -15.370 5.696 -3.168 1.00 0.00 C ATOM 618 CG PRO A 40 -15.545 4.991 -4.476 1.00 0.00 C ATOM 619 CD PRO A 40 -14.996 3.598 -4.310 1.00 0.00 C ATOM 0 HA PRO A 40 -14.809 4.799 -1.241 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -16.155 6.436 -3.010 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -14.419 6.227 -3.130 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -16.598 4.958 -4.757 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -15.019 5.519 -5.271 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -15.614 2.863 -4.826 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -13.990 3.515 -4.722 1.00 0.00 H new ATOM 766 N TYR A 48 -16.631 9.601 0.558 1.00 0.00 N ATOM 767 CA TYR A 48 -15.268 9.253 1.056 1.00 0.00 C ATOM 768 C TYR A 48 -14.685 8.094 0.244 1.00 0.00 C ATOM 769 O TYR A 48 -15.390 7.187 -0.153 1.00 0.00 O ATOM 770 CB TYR A 48 -15.470 8.840 2.517 1.00 0.00 C ATOM 771 CG TYR A 48 -15.529 10.073 3.391 1.00 0.00 C ATOM 772 CD1 TYR A 48 -14.345 10.640 3.881 1.00 0.00 C ATOM 773 CD2 TYR A 48 -16.766 10.648 3.714 1.00 0.00 C ATOM 774 CE1 TYR A 48 -14.398 11.779 4.693 1.00 0.00 C ATOM 775 CE2 TYR A 48 -16.817 11.787 4.527 1.00 0.00 C ATOM 776 CZ TYR A 48 -15.634 12.352 5.016 1.00 0.00 C ATOM 777 OH TYR A 48 -15.685 13.475 5.818 1.00 0.00 O ATOM 0 HA TYR A 48 -14.571 10.086 0.962 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -16.391 8.266 2.619 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.654 8.193 2.838 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -13.391 10.198 3.632 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -17.679 10.213 3.336 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.485 12.216 5.070 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -17.770 12.230 4.777 1.00 0.00 H new ATOM 0 HH TYR A 48 -16.619 13.745 5.944 1.00 0.00 H new ATOM 787 N TYR A 49 -13.403 8.114 -0.002 1.00 0.00 N ATOM 788 CA TYR A 49 -12.773 7.010 -0.784 1.00 0.00 C ATOM 789 C TYR A 49 -12.170 5.970 0.165 1.00 0.00 C ATOM 790 O TYR A 49 -11.865 6.261 1.307 1.00 0.00 O ATOM 791 CB TYR A 49 -11.678 7.684 -1.621 1.00 0.00 C ATOM 792 CG TYR A 49 -11.959 7.464 -3.090 1.00 0.00 C ATOM 793 CD1 TYR A 49 -13.037 8.115 -3.703 1.00 0.00 C ATOM 794 CD2 TYR A 49 -11.143 6.607 -3.838 1.00 0.00 C ATOM 795 CE1 TYR A 49 -13.297 7.909 -5.063 1.00 0.00 C ATOM 796 CE2 TYR A 49 -11.404 6.401 -5.197 1.00 0.00 C ATOM 797 CZ TYR A 49 -12.481 7.052 -5.810 1.00 0.00 C ATOM 798 OH TYR A 49 -12.739 6.847 -7.151 1.00 0.00 O ATOM 0 H TYR A 49 -12.764 8.847 0.305 1.00 0.00 H new ATOM 0 HA TYR A 49 -13.493 6.485 -1.412 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -11.643 8.751 -1.402 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -10.702 7.274 -1.361 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -13.668 8.776 -3.127 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -10.312 6.105 -3.366 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -14.128 8.412 -5.536 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.774 5.739 -5.773 1.00 0.00 H new ATOM 0 HH TYR A 49 -12.078 6.225 -7.520 1.00 0.00 H new ATOM 808 N LYS A 50 -11.995 4.757 -0.297 1.00 0.00 N ATOM 809 CA LYS A 50 -11.406 3.696 0.575 1.00 0.00 C ATOM 810 C LYS A 50 -10.778 2.603 -0.288 1.00 0.00 C ATOM 811 O LYS A 50 -11.219 2.344 -1.390 1.00 0.00 O ATOM 812 CB LYS A 50 -12.581 3.136 1.383 1.00 0.00 C ATOM 813 CG LYS A 50 -12.133 1.892 2.161 1.00 0.00 C ATOM 814 CD LYS A 50 -12.416 2.079 3.653 1.00 0.00 C ATOM 815 CE LYS A 50 -13.074 0.812 4.212 1.00 0.00 C ATOM 816 NZ LYS A 50 -13.930 1.278 5.342 1.00 0.00 N ATOM 0 H LYS A 50 -12.235 4.456 -1.242 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.621 4.084 1.225 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -12.953 3.893 2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.404 2.881 0.716 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.658 1.012 1.790 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.069 1.718 2.003 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.488 2.285 4.187 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.069 2.938 3.805 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.669 0.309 3.450 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.325 0.098 4.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.411 0.463 5.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.337 1.746 6.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.639 1.950 4.986 1.00 0.00 H new ATOM 830 N GLY A 51 -9.756 1.956 0.207 1.00 0.00 N ATOM 831 CA GLY A 51 -9.107 0.875 -0.584 1.00 0.00 C ATOM 832 C GLY A 51 -8.524 -0.181 0.355 1.00 0.00 C ATOM 833 O GLY A 51 -8.087 0.119 1.448 1.00 0.00 O ATOM 0 H GLY A 51 -9.345 2.131 1.124 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.834 0.416 -1.254 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.318 1.294 -1.209 1.00 0.00 H new ATOM 837 N ARG A 52 -8.516 -1.417 -0.072 1.00 0.00 N ATOM 838 CA ARG A 52 -7.963 -2.510 0.778 1.00 0.00 C ATOM 839 C ARG A 52 -7.176 -3.497 -0.091 1.00 0.00 C ATOM 840 O ARG A 52 -7.593 -3.839 -1.183 1.00 0.00 O ATOM 841 CB ARG A 52 -9.184 -3.191 1.401 1.00 0.00 C ATOM 842 CG ARG A 52 -8.721 -4.279 2.374 1.00 0.00 C ATOM 843 CD ARG A 52 -9.715 -4.387 3.535 1.00 0.00 C ATOM 844 NE ARG A 52 -10.237 -5.784 3.473 1.00 0.00 N ATOM 845 CZ ARG A 52 -11.485 -6.031 3.777 1.00 0.00 C ATOM 846 NH1 ARG A 52 -11.958 -5.669 4.941 1.00 0.00 N ATOM 847 NH2 ARG A 52 -12.258 -6.642 2.917 1.00 0.00 N ATOM 0 H ARG A 52 -8.872 -1.717 -0.980 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.279 -2.138 1.541 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.796 -2.456 1.925 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.808 -3.627 0.621 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.645 -5.235 1.857 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.727 -4.042 2.754 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.228 -4.190 4.490 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.521 -3.660 3.433 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.620 -6.547 3.193 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.354 -5.194 5.612 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.931 -5.861 5.178 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.888 -6.926 2.010 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -13.231 -6.835 3.153 1.00 0.00 H new ATOM 861 N MET A 53 -6.044 -3.956 0.380 1.00 0.00 N ATOM 862 CA MET A 53 -5.237 -4.919 -0.428 1.00 0.00 C ATOM 863 C MET A 53 -4.673 -6.045 0.449 1.00 0.00 C ATOM 864 O MET A 53 -4.522 -5.906 1.651 1.00 0.00 O ATOM 865 CB MET A 53 -4.108 -4.082 -1.046 1.00 0.00 C ATOM 866 CG MET A 53 -2.951 -3.913 -0.053 1.00 0.00 C ATOM 867 SD MET A 53 -1.681 -5.161 -0.386 1.00 0.00 S ATOM 868 CE MET A 53 -1.061 -4.452 -1.932 1.00 0.00 C ATOM 0 H MET A 53 -5.645 -3.707 1.285 1.00 0.00 H new ATOM 0 HA MET A 53 -5.842 -5.409 -1.191 1.00 0.00 H new ATOM 0 HB2 MET A 53 -3.747 -4.564 -1.954 1.00 0.00 H new ATOM 0 HB3 MET A 53 -4.491 -3.103 -1.336 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.525 -2.913 -0.141 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.317 -4.015 0.969 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.705 -5.251 -2.582 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.864 -3.909 -2.431 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.240 -3.768 -1.715 1.00 0.00 H new ATOM 878 N TRP A 54 -4.350 -7.154 -0.163 1.00 0.00 N ATOM 879 CA TRP A 54 -3.775 -8.311 0.593 1.00 0.00 C ATOM 880 C TRP A 54 -3.060 -9.264 -0.373 1.00 0.00 C ATOM 881 O TRP A 54 -3.464 -9.425 -1.508 1.00 0.00 O ATOM 882 CB TRP A 54 -4.964 -9.001 1.284 1.00 0.00 C ATOM 883 CG TRP A 54 -5.965 -9.475 0.272 1.00 0.00 C ATOM 884 CD1 TRP A 54 -5.979 -10.705 -0.293 1.00 0.00 C ATOM 885 CD2 TRP A 54 -7.097 -8.752 -0.297 1.00 0.00 C ATOM 886 NE1 TRP A 54 -7.045 -10.783 -1.170 1.00 0.00 N ATOM 887 CE2 TRP A 54 -7.763 -9.604 -1.208 1.00 0.00 C ATOM 888 CE3 TRP A 54 -7.604 -7.452 -0.112 1.00 0.00 C ATOM 889 CZ2 TRP A 54 -8.892 -9.182 -1.912 1.00 0.00 C ATOM 890 CZ3 TRP A 54 -8.739 -7.025 -0.819 1.00 0.00 C ATOM 891 CH2 TRP A 54 -9.381 -7.888 -1.717 1.00 0.00 C ATOM 0 H TRP A 54 -4.460 -7.311 -1.165 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.035 -7.993 1.328 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.608 -9.846 1.873 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.441 -8.307 1.977 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.272 -11.497 -0.092 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -7.273 -11.610 -1.721 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -7.117 -6.779 0.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -9.384 -9.851 -2.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -9.120 -6.025 -0.670 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -10.254 -7.553 -2.258 1.00 0.00 H new ATOM 902 N CYS A 55 -1.992 -9.885 0.063 1.00 0.00 N ATOM 903 CA CYS A 55 -1.243 -10.814 -0.839 1.00 0.00 C ATOM 904 C CYS A 55 -1.366 -12.264 -0.354 1.00 0.00 C ATOM 905 O CYS A 55 -0.563 -12.720 0.437 1.00 0.00 O ATOM 906 CB CYS A 55 0.215 -10.357 -0.767 1.00 0.00 C ATOM 907 SG CYS A 55 0.349 -8.634 -1.296 1.00 0.00 S ATOM 0 H CYS A 55 -1.607 -9.789 1.003 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.635 -10.787 -1.856 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.588 -10.463 0.252 1.00 0.00 H new ATOM 0 HB3 CYS A 55 0.835 -10.990 -1.402 1.00 0.00 H new ATOM 912 N PRO A 56 -2.368 -12.950 -0.855 1.00 0.00 N ATOM 913 CA PRO A 56 -2.582 -14.367 -0.475 1.00 0.00 C ATOM 914 C PRO A 56 -1.562 -15.264 -1.191 1.00 0.00 C ATOM 915 O PRO A 56 -1.821 -15.799 -2.253 1.00 0.00 O ATOM 916 CB PRO A 56 -4.006 -14.653 -0.947 1.00 0.00 C ATOM 917 CG PRO A 56 -4.260 -13.675 -2.052 1.00 0.00 C ATOM 918 CD PRO A 56 -3.380 -12.475 -1.807 1.00 0.00 C ATOM 0 HA PRO A 56 -2.454 -14.557 0.591 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.105 -15.680 -1.300 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.723 -14.525 -0.136 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.036 -14.123 -3.020 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.310 -13.383 -2.072 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.922 -12.124 -2.731 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.950 -11.641 -1.397 1.00 0.00 H new ATOM 926 N GLY A 57 -0.396 -15.415 -0.615 1.00 0.00 N ATOM 927 CA GLY A 57 0.659 -16.259 -1.246 1.00 0.00 C ATOM 928 C GLY A 57 2.009 -15.955 -0.590 1.00 0.00 C ATOM 929 O GLY A 57 2.715 -16.850 -0.165 1.00 0.00 O ATOM 0 H GLY A 57 -0.130 -14.986 0.271 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.414 -17.315 -1.129 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.709 -16.060 -2.316 1.00 0.00 H new ATOM 933 N TRP A 58 2.364 -14.697 -0.493 1.00 0.00 N ATOM 934 CA TRP A 58 3.663 -14.326 0.147 1.00 0.00 C ATOM 935 C TRP A 58 3.529 -14.399 1.670 1.00 0.00 C ATOM 936 O TRP A 58 4.396 -14.910 2.355 1.00 0.00 O ATOM 937 CB TRP A 58 3.935 -12.883 -0.295 1.00 0.00 C ATOM 938 CG TRP A 58 5.350 -12.501 0.033 1.00 0.00 C ATOM 939 CD1 TRP A 58 6.384 -13.367 0.165 1.00 0.00 C ATOM 940 CD2 TRP A 58 5.898 -11.172 0.273 1.00 0.00 C ATOM 941 NE1 TRP A 58 7.528 -12.653 0.471 1.00 0.00 N ATOM 942 CE2 TRP A 58 7.281 -11.297 0.547 1.00 0.00 C ATOM 943 CE3 TRP A 58 5.336 -9.882 0.278 1.00 0.00 C ATOM 944 CZ2 TRP A 58 8.078 -10.184 0.816 1.00 0.00 C ATOM 945 CZ3 TRP A 58 6.135 -8.759 0.550 1.00 0.00 C ATOM 946 CH2 TRP A 58 7.503 -8.910 0.818 1.00 0.00 C ATOM 0 H TRP A 58 1.809 -13.911 -0.830 1.00 0.00 H new ATOM 0 HA TRP A 58 4.472 -14.996 -0.142 1.00 0.00 H new ATOM 0 HB2 TRP A 58 3.762 -12.784 -1.367 1.00 0.00 H new ATOM 0 HB3 TRP A 58 3.242 -12.205 0.203 1.00 0.00 H new ATOM 0 HD1 TRP A 58 6.324 -14.439 0.050 1.00 0.00 H new ATOM 0 HE1 TRP A 58 8.443 -13.077 0.622 1.00 0.00 H new ATOM 0 HE3 TRP A 58 4.284 -9.754 0.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 9.131 -10.306 1.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 5.693 -7.774 0.553 1.00 0.00 H new ATOM 0 HH2 TRP A 58 8.112 -8.043 1.026 1.00 0.00 H new ATOM 957 N THR A 59 2.444 -13.892 2.196 1.00 0.00 N ATOM 958 CA THR A 59 2.227 -13.922 3.669 1.00 0.00 C ATOM 959 C THR A 59 0.721 -13.901 3.972 1.00 0.00 C ATOM 960 O THR A 59 -0.104 -13.970 3.080 1.00 0.00 O ATOM 961 CB THR A 59 2.920 -12.657 4.200 1.00 0.00 C ATOM 962 OG1 THR A 59 2.796 -12.603 5.616 1.00 0.00 O ATOM 963 CG2 THR A 59 2.278 -11.409 3.582 1.00 0.00 C ATOM 0 H THR A 59 1.694 -13.455 1.661 1.00 0.00 H new ATOM 0 HA THR A 59 2.629 -14.820 4.137 1.00 0.00 H new ATOM 0 HB THR A 59 3.975 -12.689 3.928 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.557 -13.062 6.029 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.775 -10.517 3.964 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.381 -11.446 2.498 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.221 -11.376 3.845 1.00 0.00 H new ATOM 971 N ALA A 60 0.367 -13.799 5.223 1.00 0.00 N ATOM 972 CA ALA A 60 -1.077 -13.765 5.605 1.00 0.00 C ATOM 973 C ALA A 60 -1.401 -12.424 6.275 1.00 0.00 C ATOM 974 O ALA A 60 -2.004 -12.369 7.332 1.00 0.00 O ATOM 975 CB ALA A 60 -1.257 -14.927 6.586 1.00 0.00 C ATOM 0 H ALA A 60 1.020 -13.737 6.005 1.00 0.00 H new ATOM 0 HA ALA A 60 -1.743 -13.862 4.747 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.296 -14.969 6.914 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.994 -15.863 6.093 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.610 -14.777 7.450 1.00 0.00 H new ATOM 981 N ILE A 61 -0.999 -11.340 5.660 1.00 0.00 N ATOM 982 CA ILE A 61 -1.267 -9.991 6.241 1.00 0.00 C ATOM 983 C ILE A 61 -2.131 -9.167 5.278 1.00 0.00 C ATOM 984 O ILE A 61 -2.147 -9.403 4.085 1.00 0.00 O ATOM 985 CB ILE A 61 0.120 -9.353 6.415 1.00 0.00 C ATOM 986 CG1 ILE A 61 0.908 -10.120 7.484 1.00 0.00 C ATOM 987 CG2 ILE A 61 -0.033 -7.890 6.848 1.00 0.00 C ATOM 988 CD1 ILE A 61 2.376 -9.687 7.454 1.00 0.00 C ATOM 0 H ILE A 61 -0.493 -11.333 4.774 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.809 -10.042 7.185 1.00 0.00 H new ATOM 0 HB ILE A 61 0.655 -9.395 5.466 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.483 -9.929 8.469 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.832 -11.193 7.306 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.953 -7.442 6.970 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.589 -7.342 6.088 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.572 -7.845 7.794 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.932 -10.234 8.215 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.798 -9.900 6.472 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.444 -8.618 7.654 1.00 0.00 H new ATOM 1000 N ARG A 62 -2.845 -8.198 5.792 1.00 0.00 N ATOM 1001 CA ARG A 62 -3.707 -7.347 4.915 1.00 0.00 C ATOM 1002 C ARG A 62 -3.526 -5.869 5.261 1.00 0.00 C ATOM 1003 O ARG A 62 -3.069 -5.520 6.335 1.00 0.00 O ATOM 1004 CB ARG A 62 -5.156 -7.785 5.173 1.00 0.00 C ATOM 1005 CG ARG A 62 -5.339 -8.225 6.631 1.00 0.00 C ATOM 1006 CD ARG A 62 -6.813 -8.097 7.026 1.00 0.00 C ATOM 1007 NE ARG A 62 -6.797 -7.765 8.480 1.00 0.00 N ATOM 1008 CZ ARG A 62 -7.858 -7.246 9.042 1.00 0.00 C ATOM 1009 NH1 ARG A 62 -8.165 -5.992 8.829 1.00 0.00 N ATOM 1010 NH2 ARG A 62 -8.610 -7.983 9.817 1.00 0.00 N ATOM 0 H ARG A 62 -2.869 -7.959 6.783 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.441 -7.467 3.865 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.835 -6.962 4.948 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.417 -8.606 4.505 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.007 -9.256 6.754 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.722 -7.611 7.287 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.310 -7.317 6.449 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.353 -9.025 6.839 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.960 -7.942 9.035 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.577 -5.419 8.224 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.993 -5.588 9.268 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.369 -8.960 9.982 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.438 -7.581 10.257 1.00 0.00 H new ATOM 1024 N GLY A 63 -3.884 -4.999 4.355 1.00 0.00 N ATOM 1025 CA GLY A 63 -3.739 -3.536 4.616 1.00 0.00 C ATOM 1026 C GLY A 63 -4.952 -2.787 4.060 1.00 0.00 C ATOM 1027 O GLY A 63 -5.534 -3.182 3.067 1.00 0.00 O ATOM 0 H GLY A 63 -4.272 -5.238 3.443 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.649 -3.356 5.687 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.826 -3.163 4.152 1.00 0.00 H new ATOM 1031 N GLU A 64 -5.331 -1.704 4.691 1.00 0.00 N ATOM 1032 CA GLU A 64 -6.501 -0.915 4.202 1.00 0.00 C ATOM 1033 C GLU A 64 -6.339 0.555 4.573 1.00 0.00 C ATOM 1034 O GLU A 64 -5.630 0.902 5.500 1.00 0.00 O ATOM 1035 CB GLU A 64 -7.725 -1.514 4.899 1.00 0.00 C ATOM 1036 CG GLU A 64 -9.013 -0.949 4.286 1.00 0.00 C ATOM 1037 CD GLU A 64 -9.728 -0.055 5.302 1.00 0.00 C ATOM 1038 OE1 GLU A 64 -10.419 -0.593 6.150 1.00 0.00 O ATOM 1039 OE2 GLU A 64 -9.579 1.153 5.209 1.00 0.00 O ATOM 0 H GLU A 64 -4.879 -1.332 5.526 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.596 -0.962 3.117 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.713 -2.600 4.802 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.692 -1.289 5.965 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.778 -0.377 3.388 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.669 -1.765 3.982 1.00 0.00 H new ATOM 1046 N ALA A 65 -6.998 1.414 3.854 1.00 0.00 N ATOM 1047 CA ALA A 65 -6.900 2.877 4.148 1.00 0.00 C ATOM 1048 C ALA A 65 -8.090 3.630 3.549 1.00 0.00 C ATOM 1049 O ALA A 65 -8.606 3.269 2.507 1.00 0.00 O ATOM 1050 CB ALA A 65 -5.598 3.327 3.491 1.00 0.00 C ATOM 0 H ALA A 65 -7.604 1.171 3.071 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.910 3.078 5.219 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.454 4.394 3.662 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.763 2.774 3.921 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.646 3.135 2.419 1.00 0.00 H new ATOM 1056 N SER A 66 -8.531 4.678 4.205 1.00 0.00 N ATOM 1057 CA SER A 66 -9.692 5.465 3.680 1.00 0.00 C ATOM 1058 C SER A 66 -9.466 6.969 3.880 1.00 0.00 C ATOM 1059 O SER A 66 -8.940 7.402 4.889 1.00 0.00 O ATOM 1060 CB SER A 66 -10.921 5.000 4.476 1.00 0.00 C ATOM 1061 OG SER A 66 -10.517 4.320 5.662 1.00 0.00 O ATOM 0 H SER A 66 -8.137 5.022 5.081 1.00 0.00 H new ATOM 0 HA SER A 66 -9.823 5.302 2.610 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.541 5.859 4.735 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.532 4.340 3.861 1.00 0.00 H new ATOM 0 HG SER A 66 -11.310 4.031 6.160 1.00 0.00 H new ATOM 1067 N THR A 67 -9.871 7.765 2.921 1.00 0.00 N ATOM 1068 CA THR A 67 -9.697 9.249 3.033 1.00 0.00 C ATOM 1069 C THR A 67 -10.485 9.965 1.923 1.00 0.00 C ATOM 1070 O THR A 67 -11.087 9.338 1.070 1.00 0.00 O ATOM 1071 CB THR A 67 -8.186 9.499 2.885 1.00 0.00 C ATOM 1072 OG1 THR A 67 -7.916 10.884 3.063 1.00 0.00 O ATOM 1073 CG2 THR A 67 -7.710 9.059 1.496 1.00 0.00 C ATOM 0 H THR A 67 -10.317 7.450 2.060 1.00 0.00 H new ATOM 0 HA THR A 67 -10.073 9.634 3.981 1.00 0.00 H new ATOM 0 HB THR A 67 -7.655 8.921 3.641 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.555 11.257 2.231 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.639 9.241 1.404 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.910 7.996 1.363 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.242 9.627 0.732 1.00 0.00 H new ATOM 1081 N ARG A 68 -10.479 11.275 1.930 1.00 0.00 N ATOM 1082 CA ARG A 68 -11.221 12.041 0.878 1.00 0.00 C ATOM 1083 C ARG A 68 -10.482 11.953 -0.464 1.00 0.00 C ATOM 1084 O ARG A 68 -11.097 11.899 -1.514 1.00 0.00 O ATOM 1085 CB ARG A 68 -11.254 13.488 1.378 1.00 0.00 C ATOM 1086 CG ARG A 68 -12.284 13.619 2.506 1.00 0.00 C ATOM 1087 CD ARG A 68 -12.865 15.036 2.513 1.00 0.00 C ATOM 1088 NE ARG A 68 -12.109 15.763 3.574 1.00 0.00 N ATOM 1089 CZ ARG A 68 -12.687 16.049 4.712 1.00 0.00 C ATOM 1090 NH1 ARG A 68 -13.716 16.856 4.737 1.00 0.00 N ATOM 1091 NH2 ARG A 68 -12.233 15.531 5.824 1.00 0.00 N ATOM 0 H ARG A 68 -9.992 11.849 2.619 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.224 11.646 0.716 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -10.268 13.782 1.737 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -11.509 14.161 0.559 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -13.082 12.889 2.369 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -11.815 13.403 3.466 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -12.742 15.517 1.542 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -13.933 15.023 2.729 1.00 0.00 H new ATOM 0 HE ARG A 68 -11.140 16.037 3.412 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -14.067 17.262 3.870 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -14.167 17.080 5.624 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.428 14.904 5.804 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.683 15.754 6.712 1.00 0.00 H new ATOM 1105 N SER A 69 -9.171 11.933 -0.436 1.00 0.00 N ATOM 1106 CA SER A 69 -8.383 11.844 -1.707 1.00 0.00 C ATOM 1107 C SER A 69 -8.741 10.557 -2.461 1.00 0.00 C ATOM 1108 O SER A 69 -8.867 9.497 -1.874 1.00 0.00 O ATOM 1109 CB SER A 69 -6.901 11.823 -1.297 1.00 0.00 C ATOM 1110 OG SER A 69 -6.777 11.906 0.122 1.00 0.00 O ATOM 0 H SER A 69 -8.611 11.975 0.415 1.00 0.00 H new ATOM 0 HA SER A 69 -8.599 12.684 -2.367 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.430 10.908 -1.657 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.376 12.656 -1.764 1.00 0.00 H new ATOM 0 HG SER A 69 -6.926 12.831 0.410 1.00 0.00 H new ATOM 1116 N GLN A 70 -8.910 10.648 -3.757 1.00 0.00 N ATOM 1117 CA GLN A 70 -9.266 9.438 -4.563 1.00 0.00 C ATOM 1118 C GLN A 70 -8.045 8.523 -4.722 1.00 0.00 C ATOM 1119 O GLN A 70 -8.066 7.376 -4.318 1.00 0.00 O ATOM 1120 CB GLN A 70 -9.726 9.977 -5.921 1.00 0.00 C ATOM 1121 CG GLN A 70 -11.177 10.460 -5.818 1.00 0.00 C ATOM 1122 CD GLN A 70 -11.225 11.986 -5.953 1.00 0.00 C ATOM 1123 OE1 GLN A 70 -11.189 12.512 -7.047 1.00 0.00 O ATOM 1124 NE2 GLN A 70 -11.304 12.725 -4.878 1.00 0.00 N ATOM 0 H GLN A 70 -8.817 11.510 -4.293 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.043 8.841 -4.085 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.081 10.797 -6.236 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.644 9.198 -6.679 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.781 9.997 -6.599 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.604 10.156 -4.862 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -11.334 12.285 -3.958 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -11.335 13.741 -4.959 1.00 0.00 H new ATOM 1133 N SER A 71 -6.980 9.022 -5.300 1.00 0.00 N ATOM 1134 CA SER A 71 -5.757 8.181 -5.472 1.00 0.00 C ATOM 1135 C SER A 71 -4.975 8.115 -4.155 1.00 0.00 C ATOM 1136 O SER A 71 -4.297 7.144 -3.878 1.00 0.00 O ATOM 1137 CB SER A 71 -4.932 8.878 -6.555 1.00 0.00 C ATOM 1138 OG SER A 71 -5.372 8.434 -7.832 1.00 0.00 O ATOM 0 H SER A 71 -6.906 9.974 -5.659 1.00 0.00 H new ATOM 0 HA SER A 71 -6.000 7.156 -5.752 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.042 9.959 -6.474 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.873 8.655 -6.423 1.00 0.00 H new ATOM 0 HG SER A 71 -4.848 8.878 -8.531 1.00 0.00 H new ATOM 1144 N GLY A 72 -5.073 9.141 -3.339 1.00 0.00 N ATOM 1145 CA GLY A 72 -4.347 9.146 -2.033 1.00 0.00 C ATOM 1146 C GLY A 72 -4.785 7.944 -1.187 1.00 0.00 C ATOM 1147 O GLY A 72 -3.980 7.336 -0.510 1.00 0.00 O ATOM 0 H GLY A 72 -5.628 9.976 -3.526 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.271 9.108 -2.205 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.552 10.073 -1.497 1.00 0.00 H new ATOM 1151 N VAL A 73 -6.054 7.594 -1.225 1.00 0.00 N ATOM 1152 CA VAL A 73 -6.532 6.422 -0.424 1.00 0.00 C ATOM 1153 C VAL A 73 -5.835 5.136 -0.890 1.00 0.00 C ATOM 1154 O VAL A 73 -5.489 4.288 -0.089 1.00 0.00 O ATOM 1155 CB VAL A 73 -8.056 6.353 -0.646 1.00 0.00 C ATOM 1156 CG1 VAL A 73 -8.396 5.476 -1.856 1.00 0.00 C ATOM 1157 CG2 VAL A 73 -8.714 5.757 0.598 1.00 0.00 C ATOM 0 H VAL A 73 -6.772 8.067 -1.773 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.300 6.530 0.635 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.426 7.362 -0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -9.477 5.444 -1.990 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.932 5.893 -2.750 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -8.021 4.466 -1.690 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.793 5.705 0.449 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.323 4.755 0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.497 6.386 1.461 1.00 0.00 H new ATOM 1167 N ALA A 74 -5.618 4.994 -2.176 1.00 0.00 N ATOM 1168 CA ALA A 74 -4.933 3.771 -2.691 1.00 0.00 C ATOM 1169 C ALA A 74 -3.483 3.752 -2.208 1.00 0.00 C ATOM 1170 O ALA A 74 -2.989 2.739 -1.749 1.00 0.00 O ATOM 1171 CB ALA A 74 -5.001 3.877 -4.217 1.00 0.00 C ATOM 0 H ALA A 74 -5.886 5.673 -2.889 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.401 2.852 -2.339 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.516 3.009 -4.664 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.044 3.912 -4.533 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.492 4.785 -4.542 1.00 0.00 H new ATOM 1177 N GLY A 75 -2.805 4.870 -2.287 1.00 0.00 N ATOM 1178 CA GLY A 75 -1.393 4.931 -1.811 1.00 0.00 C ATOM 1179 C GLY A 75 -1.367 4.665 -0.303 1.00 0.00 C ATOM 1180 O GLY A 75 -0.479 4.007 0.202 1.00 0.00 O ATOM 0 H GLY A 75 -3.172 5.745 -2.662 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.786 4.192 -2.335 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.963 5.909 -2.029 1.00 0.00 H new ATOM 1184 N LYS A 76 -2.347 5.166 0.416 1.00 0.00 N ATOM 1185 CA LYS A 76 -2.398 4.942 1.893 1.00 0.00 C ATOM 1186 C LYS A 76 -2.554 3.447 2.199 1.00 0.00 C ATOM 1187 O LYS A 76 -1.934 2.931 3.111 1.00 0.00 O ATOM 1188 CB LYS A 76 -3.623 5.727 2.379 1.00 0.00 C ATOM 1189 CG LYS A 76 -3.562 5.893 3.902 1.00 0.00 C ATOM 1190 CD LYS A 76 -2.544 6.978 4.265 1.00 0.00 C ATOM 1191 CE LYS A 76 -1.309 6.331 4.904 1.00 0.00 C ATOM 1192 NZ LYS A 76 -0.251 7.381 4.860 1.00 0.00 N ATOM 0 H LYS A 76 -3.115 5.722 0.039 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.486 5.272 2.390 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.654 6.705 1.898 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.537 5.204 2.097 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.546 6.161 4.288 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.283 4.949 4.369 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.255 7.533 3.373 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.991 7.694 4.955 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.513 6.020 5.929 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.003 5.440 4.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.454 7.195 5.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.213 7.367 3.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.681 8.314 5.018 1.00 0.00 H new ATOM 1206 N THR A 77 -3.362 2.744 1.437 1.00 0.00 N ATOM 1207 CA THR A 77 -3.537 1.281 1.678 1.00 0.00 C ATOM 1208 C THR A 77 -2.202 0.571 1.446 1.00 0.00 C ATOM 1209 O THR A 77 -1.789 -0.267 2.225 1.00 0.00 O ATOM 1210 CB THR A 77 -4.590 0.828 0.658 1.00 0.00 C ATOM 1211 OG1 THR A 77 -5.830 1.455 0.953 1.00 0.00 O ATOM 1212 CG2 THR A 77 -4.760 -0.691 0.724 1.00 0.00 C ATOM 0 H THR A 77 -3.905 3.123 0.661 1.00 0.00 H new ATOM 0 HA THR A 77 -3.853 1.051 2.696 1.00 0.00 H new ATOM 0 HB THR A 77 -4.264 1.108 -0.344 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.465 0.785 1.283 1.00 0.00 H new ATOM 0 HG21 THR A 77 -5.509 -1.005 -0.003 1.00 0.00 H new ATOM 0 HG22 THR A 77 -3.809 -1.174 0.497 1.00 0.00 H new ATOM 0 HG23 THR A 77 -5.083 -0.978 1.725 1.00 0.00 H new ATOM 1220 N ALA A 78 -1.514 0.924 0.390 1.00 0.00 N ATOM 1221 CA ALA A 78 -0.191 0.292 0.114 1.00 0.00 C ATOM 1222 C ALA A 78 0.811 0.695 1.205 1.00 0.00 C ATOM 1223 O ALA A 78 1.606 -0.106 1.659 1.00 0.00 O ATOM 1224 CB ALA A 78 0.237 0.839 -1.249 1.00 0.00 C ATOM 0 H ALA A 78 -1.812 1.622 -0.292 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.239 -0.797 0.109 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.205 0.419 -1.522 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.503 0.564 -2.000 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.315 1.925 -1.197 1.00 0.00 H new ATOM 1230 N LYS A 79 0.761 1.931 1.644 1.00 0.00 N ATOM 1231 CA LYS A 79 1.693 2.387 2.721 1.00 0.00 C ATOM 1232 C LYS A 79 1.380 1.651 4.031 1.00 0.00 C ATOM 1233 O LYS A 79 2.273 1.277 4.768 1.00 0.00 O ATOM 1234 CB LYS A 79 1.433 3.889 2.868 1.00 0.00 C ATOM 1235 CG LYS A 79 2.625 4.553 3.566 1.00 0.00 C ATOM 1236 CD LYS A 79 2.326 4.702 5.061 1.00 0.00 C ATOM 1237 CE LYS A 79 3.578 4.359 5.877 1.00 0.00 C ATOM 1238 NZ LYS A 79 3.065 3.749 7.140 1.00 0.00 N ATOM 0 H LYS A 79 0.115 2.642 1.302 1.00 0.00 H new ATOM 0 HA LYS A 79 2.736 2.182 2.481 1.00 0.00 H new ATOM 0 HB2 LYS A 79 1.277 4.339 1.887 1.00 0.00 H new ATOM 0 HB3 LYS A 79 0.523 4.056 3.444 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.524 3.953 3.422 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.820 5.530 3.124 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.007 5.722 5.278 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.504 4.044 5.344 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.222 3.665 5.337 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.171 5.250 6.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.866 3.457 7.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.488 4.446 7.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.482 2.918 6.913 1.00 0.00 H new ATOM 1252 N ASP A 80 0.117 1.437 4.321 1.00 0.00 N ATOM 1253 CA ASP A 80 -0.257 0.717 5.580 1.00 0.00 C ATOM 1254 C ASP A 80 0.161 -0.756 5.491 1.00 0.00 C ATOM 1255 O ASP A 80 0.468 -1.379 6.489 1.00 0.00 O ATOM 1256 CB ASP A 80 -1.786 0.839 5.696 1.00 0.00 C ATOM 1257 CG ASP A 80 -2.167 2.112 6.468 1.00 0.00 C ATOM 1258 OD1 ASP A 80 -1.451 3.098 6.359 1.00 0.00 O ATOM 1259 OD2 ASP A 80 -3.172 2.077 7.158 1.00 0.00 O ATOM 0 H ASP A 80 -0.669 1.730 3.741 1.00 0.00 H new ATOM 0 HA ASP A 80 0.242 1.141 6.451 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.231 0.863 4.701 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.189 -0.037 6.205 1.00 0.00 H new ATOM 1264 N PHE A 81 0.184 -1.316 4.307 1.00 0.00 N ATOM 1265 CA PHE A 81 0.600 -2.743 4.165 1.00 0.00 C ATOM 1266 C PHE A 81 2.131 -2.850 4.236 1.00 0.00 C ATOM 1267 O PHE A 81 2.670 -3.818 4.740 1.00 0.00 O ATOM 1268 CB PHE A 81 0.083 -3.182 2.789 1.00 0.00 C ATOM 1269 CG PHE A 81 0.322 -4.663 2.599 1.00 0.00 C ATOM 1270 CD1 PHE A 81 1.533 -5.115 2.058 1.00 0.00 C ATOM 1271 CD2 PHE A 81 -0.667 -5.585 2.965 1.00 0.00 C ATOM 1272 CE1 PHE A 81 1.754 -6.486 1.883 1.00 0.00 C ATOM 1273 CE2 PHE A 81 -0.445 -6.956 2.789 1.00 0.00 C ATOM 1274 CZ PHE A 81 0.765 -7.406 2.249 1.00 0.00 C ATOM 0 H PHE A 81 -0.067 -0.848 3.436 1.00 0.00 H new ATOM 0 HA PHE A 81 0.200 -3.373 4.959 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -0.981 -2.962 2.704 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.589 -2.619 2.004 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.296 -4.405 1.776 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -1.601 -5.238 3.383 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.687 -6.834 1.466 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -1.208 -7.667 3.070 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.936 -8.464 2.115 1.00 0.00 H new ATOM 1284 N VAL A 82 2.836 -1.859 3.737 1.00 0.00 N ATOM 1285 CA VAL A 82 4.329 -1.903 3.779 1.00 0.00 C ATOM 1286 C VAL A 82 4.831 -1.729 5.219 1.00 0.00 C ATOM 1287 O VAL A 82 5.781 -2.372 5.625 1.00 0.00 O ATOM 1288 CB VAL A 82 4.800 -0.743 2.890 1.00 0.00 C ATOM 1289 CG1 VAL A 82 6.315 -0.561 3.030 1.00 0.00 C ATOM 1290 CG2 VAL A 82 4.465 -1.053 1.428 1.00 0.00 C ATOM 0 H VAL A 82 2.440 -1.025 3.304 1.00 0.00 H new ATOM 0 HA VAL A 82 4.718 -2.859 3.427 1.00 0.00 H new ATOM 0 HB VAL A 82 4.295 0.172 3.200 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.642 0.263 2.397 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.560 -0.340 4.069 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.821 -1.477 2.724 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.799 -0.230 0.796 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.970 -1.971 1.126 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.388 -1.179 1.320 1.00 0.00 H new ATOM 1300 N ARG A 83 4.202 -0.878 5.996 1.00 0.00 N ATOM 1301 CA ARG A 83 4.659 -0.692 7.409 1.00 0.00 C ATOM 1302 C ARG A 83 4.331 -1.943 8.229 1.00 0.00 C ATOM 1303 O ARG A 83 5.097 -2.353 9.080 1.00 0.00 O ATOM 1304 CB ARG A 83 3.911 0.542 7.939 1.00 0.00 C ATOM 1305 CG ARG A 83 2.408 0.269 8.050 1.00 0.00 C ATOM 1306 CD ARG A 83 2.074 -0.228 9.461 1.00 0.00 C ATOM 1307 NE ARG A 83 1.127 0.780 10.015 1.00 0.00 N ATOM 1308 CZ ARG A 83 -0.150 0.513 10.073 1.00 0.00 C ATOM 1309 NH1 ARG A 83 -0.620 -0.219 11.047 1.00 0.00 N ATOM 1310 NH2 ARG A 83 -0.955 0.979 9.154 1.00 0.00 N ATOM 0 H ARG A 83 3.402 -0.311 5.716 1.00 0.00 H new ATOM 0 HA ARG A 83 5.737 -0.544 7.477 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.307 0.819 8.916 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.082 1.388 7.274 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.847 1.178 7.832 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.109 -0.475 7.312 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.622 -1.219 9.433 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.972 -0.304 10.075 1.00 0.00 H new ATOM 0 HE ARG A 83 1.476 1.678 10.349 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.010 -0.582 11.762 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.617 -0.428 11.093 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.585 1.550 8.394 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.953 0.772 9.197 1.00 0.00 H new ATOM 1324 N LYS A 84 3.210 -2.566 7.956 1.00 0.00 N ATOM 1325 CA LYS A 84 2.840 -3.809 8.698 1.00 0.00 C ATOM 1326 C LYS A 84 3.844 -4.916 8.365 1.00 0.00 C ATOM 1327 O LYS A 84 4.272 -5.656 9.232 1.00 0.00 O ATOM 1328 CB LYS A 84 1.438 -4.184 8.204 1.00 0.00 C ATOM 1329 CG LYS A 84 0.439 -4.080 9.358 1.00 0.00 C ATOM 1330 CD LYS A 84 -0.455 -5.324 9.373 1.00 0.00 C ATOM 1331 CE LYS A 84 -1.635 -5.094 10.322 1.00 0.00 C ATOM 1332 NZ LYS A 84 -2.119 -6.459 10.680 1.00 0.00 N ATOM 0 H LYS A 84 2.536 -2.266 7.251 1.00 0.00 H new ATOM 0 HA LYS A 84 2.852 -3.667 9.779 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.139 -3.522 7.391 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.442 -5.198 7.804 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.970 -3.989 10.306 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.170 -3.183 9.246 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.819 -5.535 8.368 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.119 -6.193 9.693 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.326 -4.541 11.209 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.420 -4.511 9.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.928 -6.381 11.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.414 -6.960 9.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.353 -6.988 11.143 1.00 0.00 H new ATOM 1346 N ALA A 85 4.238 -5.018 7.117 1.00 0.00 N ATOM 1347 CA ALA A 85 5.234 -6.059 6.729 1.00 0.00 C ATOM 1348 C ALA A 85 6.603 -5.698 7.318 1.00 0.00 C ATOM 1349 O ALA A 85 7.378 -6.563 7.682 1.00 0.00 O ATOM 1350 CB ALA A 85 5.279 -6.034 5.199 1.00 0.00 C ATOM 0 H ALA A 85 3.912 -4.425 6.354 1.00 0.00 H new ATOM 0 HA ALA A 85 4.968 -7.049 7.100 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.993 -6.777 4.844 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.290 -6.263 4.802 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.586 -5.045 4.860 1.00 0.00 H new ATOM 1356 N PHE A 86 6.896 -4.420 7.429 1.00 0.00 N ATOM 1357 CA PHE A 86 8.203 -3.989 8.012 1.00 0.00 C ATOM 1358 C PHE A 86 8.276 -4.422 9.483 1.00 0.00 C ATOM 1359 O PHE A 86 9.301 -4.879 9.952 1.00 0.00 O ATOM 1360 CB PHE A 86 8.217 -2.456 7.911 1.00 0.00 C ATOM 1361 CG PHE A 86 9.349 -2.005 7.017 1.00 0.00 C ATOM 1362 CD1 PHE A 86 10.669 -2.365 7.318 1.00 0.00 C ATOM 1363 CD2 PHE A 86 9.078 -1.218 5.891 1.00 0.00 C ATOM 1364 CE1 PHE A 86 11.715 -1.938 6.491 1.00 0.00 C ATOM 1365 CE2 PHE A 86 10.124 -0.794 5.065 1.00 0.00 C ATOM 1366 CZ PHE A 86 11.443 -1.152 5.365 1.00 0.00 C ATOM 0 H PHE A 86 6.282 -3.659 7.139 1.00 0.00 H new ATOM 0 HA PHE A 86 9.051 -4.432 7.491 1.00 0.00 H new ATOM 0 HB2 PHE A 86 7.266 -2.101 7.514 1.00 0.00 H new ATOM 0 HB3 PHE A 86 8.331 -2.019 8.903 1.00 0.00 H new ATOM 0 HD1 PHE A 86 10.879 -2.971 8.187 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.061 -0.938 5.660 1.00 0.00 H new ATOM 0 HE1 PHE A 86 12.733 -2.215 6.722 1.00 0.00 H new ATOM 0 HE2 PHE A 86 9.913 -0.190 4.195 1.00 0.00 H new ATOM 0 HZ PHE A 86 12.251 -0.822 4.728 1.00 0.00 H new ATOM 1376 N GLN A 87 7.189 -4.282 10.207 1.00 0.00 N ATOM 1377 CA GLN A 87 7.180 -4.685 11.647 1.00 0.00 C ATOM 1378 C GLN A 87 7.369 -6.205 11.783 1.00 0.00 C ATOM 1379 O GLN A 87 8.019 -6.675 12.697 1.00 0.00 O ATOM 1380 CB GLN A 87 5.805 -4.260 12.172 1.00 0.00 C ATOM 1381 CG GLN A 87 5.858 -2.796 12.621 1.00 0.00 C ATOM 1382 CD GLN A 87 4.495 -2.133 12.395 1.00 0.00 C ATOM 1383 OE1 GLN A 87 4.389 -1.173 11.656 1.00 0.00 O ATOM 1384 NE2 GLN A 87 3.441 -2.600 13.007 1.00 0.00 N ATOM 0 H GLN A 87 6.307 -3.905 9.860 1.00 0.00 H new ATOM 0 HA GLN A 87 7.990 -4.219 12.208 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.052 -4.385 11.394 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.510 -4.897 13.006 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.130 -2.739 13.675 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.629 -2.263 12.064 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.526 -3.405 13.627 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.532 -2.160 12.865 1.00 0.00 H new ATOM 1393 N LYS A 88 6.808 -6.976 10.881 1.00 0.00 N ATOM 1394 CA LYS A 88 6.964 -8.461 10.965 1.00 0.00 C ATOM 1395 C LYS A 88 8.331 -8.884 10.413 1.00 0.00 C ATOM 1396 O LYS A 88 9.093 -9.559 11.079 1.00 0.00 O ATOM 1397 CB LYS A 88 5.829 -9.042 10.113 1.00 0.00 C ATOM 1398 CG LYS A 88 4.975 -9.983 10.969 1.00 0.00 C ATOM 1399 CD LYS A 88 5.739 -11.288 11.219 1.00 0.00 C ATOM 1400 CE LYS A 88 4.949 -12.167 12.195 1.00 0.00 C ATOM 1401 NZ LYS A 88 5.964 -13.063 12.823 1.00 0.00 N ATOM 0 H LYS A 88 6.252 -6.642 10.094 1.00 0.00 H new ATOM 0 HA LYS A 88 6.914 -8.819 11.993 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.212 -8.237 9.713 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.240 -9.582 9.260 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.730 -9.506 11.918 1.00 0.00 H new ATOM 0 HG3 LYS A 88 4.032 -10.193 10.465 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.892 -11.818 10.279 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.726 -11.071 11.627 1.00 0.00 H new ATOM 0 HE2 LYS A 88 4.439 -11.563 12.945 1.00 0.00 H new ATOM 0 HE3 LYS A 88 4.183 -12.743 11.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 5.496 -13.694 13.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.428 -13.632 12.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.676 -12.488 13.317 1.00 0.00 H new ATOM 1415 N GLY A 89 8.646 -8.488 9.204 1.00 0.00 N ATOM 1416 CA GLY A 89 9.959 -8.857 8.606 1.00 0.00 C ATOM 1417 C GLY A 89 9.761 -9.359 7.171 1.00 0.00 C ATOM 1418 O GLY A 89 10.203 -10.435 6.820 1.00 0.00 O ATOM 0 H GLY A 89 8.044 -7.922 8.606 1.00 0.00 H new ATOM 0 HA2 GLY A 89 10.624 -7.994 8.609 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.437 -9.630 9.207 1.00 0.00 H new ATOM 1422 N LEU A 90 9.105 -8.586 6.339 1.00 0.00 N ATOM 1423 CA LEU A 90 8.884 -9.021 4.924 1.00 0.00 C ATOM 1424 C LEU A 90 9.439 -7.979 3.945 1.00 0.00 C ATOM 1425 O LEU A 90 10.144 -8.313 3.013 1.00 0.00 O ATOM 1426 CB LEU A 90 7.365 -9.150 4.767 1.00 0.00 C ATOM 1427 CG LEU A 90 6.922 -10.576 5.117 1.00 0.00 C ATOM 1428 CD1 LEU A 90 5.418 -10.717 4.875 1.00 0.00 C ATOM 1429 CD2 LEU A 90 7.670 -11.584 4.237 1.00 0.00 C ATOM 0 H LEU A 90 8.714 -7.675 6.578 1.00 0.00 H new ATOM 0 HA LEU A 90 9.394 -9.959 4.707 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.862 -8.434 5.417 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.075 -8.911 3.744 1.00 0.00 H new ATOM 0 HG LEU A 90 7.147 -10.773 6.165 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.103 -11.730 5.124 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.880 -10.006 5.502 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.198 -10.515 3.827 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.351 -12.595 4.490 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.449 -11.386 3.188 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.743 -11.489 4.406 1.00 0.00 H new ATOM 1441 N ILE A 91 9.131 -6.720 4.148 1.00 0.00 N ATOM 1442 CA ILE A 91 9.648 -5.664 3.229 1.00 0.00 C ATOM 1443 C ILE A 91 10.774 -4.891 3.919 1.00 0.00 C ATOM 1444 O ILE A 91 10.529 -4.002 4.711 1.00 0.00 O ATOM 1445 CB ILE A 91 8.451 -4.745 2.944 1.00 0.00 C ATOM 1446 CG1 ILE A 91 7.356 -5.529 2.209 1.00 0.00 C ATOM 1447 CG2 ILE A 91 8.902 -3.570 2.069 1.00 0.00 C ATOM 1448 CD1 ILE A 91 6.040 -4.750 2.269 1.00 0.00 C ATOM 0 H ILE A 91 8.544 -6.381 4.910 1.00 0.00 H new ATOM 0 HA ILE A 91 10.056 -6.078 2.307 1.00 0.00 H new ATOM 0 HB ILE A 91 8.058 -4.370 3.889 1.00 0.00 H new ATOM 0 HG12 ILE A 91 7.646 -5.693 1.171 1.00 0.00 H new ATOM 0 HG13 ILE A 91 7.230 -6.511 2.664 1.00 0.00 H new ATOM 0 HG21 ILE A 91 8.051 -2.919 1.868 1.00 0.00 H new ATOM 0 HG22 ILE A 91 9.676 -3.005 2.589 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.300 -3.949 1.128 1.00 0.00 H new ATOM 0 HD11 ILE A 91 5.263 -5.308 1.747 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.748 -4.609 3.310 1.00 0.00 H new ATOM 0 HD13 ILE A 91 6.171 -3.778 1.794 1.00 0.00 H new ATOM 1460 N SER A 92 12.007 -5.225 3.626 1.00 0.00 N ATOM 1461 CA SER A 92 13.151 -4.508 4.268 1.00 0.00 C ATOM 1462 C SER A 92 13.382 -3.151 3.594 1.00 0.00 C ATOM 1463 O SER A 92 12.649 -2.751 2.706 1.00 0.00 O ATOM 1464 CB SER A 92 14.364 -5.419 4.075 1.00 0.00 C ATOM 1465 OG SER A 92 15.371 -5.070 5.018 1.00 0.00 O ATOM 0 H SER A 92 12.270 -5.962 2.971 1.00 0.00 H new ATOM 0 HA SER A 92 12.962 -4.307 5.322 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.074 -6.462 4.205 1.00 0.00 H new ATOM 0 HB3 SER A 92 14.750 -5.319 3.060 1.00 0.00 H new ATOM 0 HG SER A 92 16.149 -5.654 4.897 1.00 0.00 H new ATOM 1471 N GLN A 93 14.394 -2.439 4.018 1.00 0.00 N ATOM 1472 CA GLN A 93 14.684 -1.099 3.422 1.00 0.00 C ATOM 1473 C GLN A 93 15.217 -1.252 1.991 1.00 0.00 C ATOM 1474 O GLN A 93 14.632 -0.750 1.049 1.00 0.00 O ATOM 1475 CB GLN A 93 15.743 -0.476 4.339 1.00 0.00 C ATOM 1476 CG GLN A 93 16.075 0.944 3.865 1.00 0.00 C ATOM 1477 CD GLN A 93 17.339 0.914 3.001 1.00 0.00 C ATOM 1478 OE1 GLN A 93 18.380 0.465 3.439 1.00 0.00 O ATOM 1479 NE2 GLN A 93 17.291 1.375 1.781 1.00 0.00 N ATOM 0 H GLN A 93 15.036 -2.729 4.756 1.00 0.00 H new ATOM 0 HA GLN A 93 13.792 -0.476 3.354 1.00 0.00 H new ATOM 0 HB2 GLN A 93 15.377 -0.450 5.366 1.00 0.00 H new ATOM 0 HB3 GLN A 93 16.644 -1.089 4.337 1.00 0.00 H new ATOM 0 HG2 GLN A 93 15.241 1.352 3.294 1.00 0.00 H new ATOM 0 HG3 GLN A 93 16.224 1.599 4.723 1.00 0.00 H new ATOM 0 HE21 GLN A 93 16.418 1.752 1.412 1.00 0.00 H new ATOM 0 HE22 GLN A 93 18.127 1.358 1.196 1.00 0.00 H new ATOM 1488 N GLN A 94 16.321 -1.938 1.822 1.00 0.00 N ATOM 1489 CA GLN A 94 16.893 -2.120 0.450 1.00 0.00 C ATOM 1490 C GLN A 94 15.928 -2.924 -0.437 1.00 0.00 C ATOM 1491 O GLN A 94 15.823 -2.681 -1.623 1.00 0.00 O ATOM 1492 CB GLN A 94 18.219 -2.870 0.649 1.00 0.00 C ATOM 1493 CG GLN A 94 17.962 -4.279 1.201 1.00 0.00 C ATOM 1494 CD GLN A 94 19.292 -4.913 1.614 1.00 0.00 C ATOM 1495 OE1 GLN A 94 19.664 -4.873 2.769 1.00 0.00 O ATOM 1496 NE2 GLN A 94 20.033 -5.496 0.710 1.00 0.00 N ATOM 0 H GLN A 94 16.851 -2.380 2.574 1.00 0.00 H new ATOM 0 HA GLN A 94 17.050 -1.166 -0.053 1.00 0.00 H new ATOM 0 HB2 GLN A 94 18.752 -2.936 -0.299 1.00 0.00 H new ATOM 0 HB3 GLN A 94 18.858 -2.315 1.336 1.00 0.00 H new ATOM 0 HG2 GLN A 94 17.289 -4.229 2.057 1.00 0.00 H new ATOM 0 HG3 GLN A 94 17.472 -4.894 0.446 1.00 0.00 H new ATOM 0 HE21 GLN A 94 19.721 -5.530 -0.261 1.00 0.00 H new ATOM 0 HE22 GLN A 94 20.923 -5.917 0.975 1.00 0.00 H new ATOM 1505 N GLU A 95 15.218 -3.869 0.135 1.00 0.00 N ATOM 1506 CA GLU A 95 14.253 -4.685 -0.668 1.00 0.00 C ATOM 1507 C GLU A 95 13.205 -3.776 -1.324 1.00 0.00 C ATOM 1508 O GLU A 95 12.871 -3.940 -2.482 1.00 0.00 O ATOM 1509 CB GLU A 95 13.588 -5.629 0.338 1.00 0.00 C ATOM 1510 CG GLU A 95 14.022 -7.069 0.059 1.00 0.00 C ATOM 1511 CD GLU A 95 13.509 -7.984 1.176 1.00 0.00 C ATOM 1512 OE1 GLU A 95 14.036 -7.902 2.274 1.00 0.00 O ATOM 1513 OE2 GLU A 95 12.598 -8.752 0.912 1.00 0.00 O ATOM 0 H GLU A 95 15.266 -4.110 1.125 1.00 0.00 H new ATOM 0 HA GLU A 95 14.748 -5.231 -1.471 1.00 0.00 H new ATOM 0 HB2 GLU A 95 13.864 -5.346 1.354 1.00 0.00 H new ATOM 0 HB3 GLU A 95 12.503 -5.546 0.267 1.00 0.00 H new ATOM 0 HG2 GLU A 95 13.630 -7.398 -0.904 1.00 0.00 H new ATOM 0 HG3 GLU A 95 15.109 -7.127 -0.003 1.00 0.00 H new ATOM 1520 N ALA A 96 12.695 -2.811 -0.594 1.00 0.00 N ATOM 1521 CA ALA A 96 11.680 -1.884 -1.181 1.00 0.00 C ATOM 1522 C ALA A 96 12.304 -1.095 -2.335 1.00 0.00 C ATOM 1523 O ALA A 96 11.677 -0.871 -3.354 1.00 0.00 O ATOM 1524 CB ALA A 96 11.276 -0.949 -0.038 1.00 0.00 C ATOM 0 H ALA A 96 12.938 -2.628 0.379 1.00 0.00 H new ATOM 0 HA ALA A 96 10.818 -2.414 -1.585 1.00 0.00 H new ATOM 0 HB1 ALA A 96 10.531 -0.238 -0.395 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.856 -1.535 0.780 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.153 -0.408 0.316 1.00 0.00 H new ATOM 1530 N ASN A 97 13.543 -0.686 -2.188 1.00 0.00 N ATOM 1531 CA ASN A 97 14.221 0.073 -3.282 1.00 0.00 C ATOM 1532 C ASN A 97 14.473 -0.855 -4.474 1.00 0.00 C ATOM 1533 O ASN A 97 14.362 -0.452 -5.616 1.00 0.00 O ATOM 1534 CB ASN A 97 15.547 0.557 -2.688 1.00 0.00 C ATOM 1535 CG ASN A 97 15.823 1.991 -3.152 1.00 0.00 C ATOM 1536 OD1 ASN A 97 15.871 2.899 -2.348 1.00 0.00 O ATOM 1537 ND2 ASN A 97 16.007 2.235 -4.424 1.00 0.00 N ATOM 0 H ASN A 97 14.112 -0.846 -1.357 1.00 0.00 H new ATOM 0 HA ASN A 97 13.618 0.908 -3.639 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.506 0.517 -1.599 1.00 0.00 H new ATOM 0 HB3 ASN A 97 16.359 -0.100 -3.000 1.00 0.00 H new ATOM 0 HD21 ASN A 97 16.191 3.188 -4.739 1.00 0.00 H new ATOM 0 HD22 ASN A 97 15.967 1.473 -5.101 1.00 0.00 H new ATOM 1544 N GLN A 98 14.800 -2.100 -4.214 1.00 0.00 N ATOM 1545 CA GLN A 98 15.045 -3.063 -5.330 1.00 0.00 C ATOM 1546 C GLN A 98 13.758 -3.240 -6.140 1.00 0.00 C ATOM 1547 O GLN A 98 13.778 -3.243 -7.356 1.00 0.00 O ATOM 1548 CB GLN A 98 15.447 -4.379 -4.655 1.00 0.00 C ATOM 1549 CG GLN A 98 16.838 -4.233 -4.027 1.00 0.00 C ATOM 1550 CD GLN A 98 17.909 -4.596 -5.058 1.00 0.00 C ATOM 1551 OE1 GLN A 98 18.483 -3.727 -5.683 1.00 0.00 O ATOM 1552 NE2 GLN A 98 18.205 -5.850 -5.264 1.00 0.00 N ATOM 0 H GLN A 98 14.907 -2.488 -3.277 1.00 0.00 H new ATOM 0 HA GLN A 98 15.819 -2.719 -6.016 1.00 0.00 H new ATOM 0 HB2 GLN A 98 14.718 -4.644 -3.890 1.00 0.00 H new ATOM 0 HB3 GLN A 98 15.450 -5.188 -5.386 1.00 0.00 H new ATOM 0 HG2 GLN A 98 16.985 -3.210 -3.680 1.00 0.00 H new ATOM 0 HG3 GLN A 98 16.924 -4.881 -3.155 1.00 0.00 H new ATOM 0 HE21 GLN A 98 17.724 -6.580 -4.740 1.00 0.00 H new ATOM 0 HE22 GLN A 98 18.918 -6.100 -5.949 1.00 0.00 H new ATOM 1561 N TRP A 99 12.634 -3.361 -5.473 1.00 0.00 N ATOM 1562 CA TRP A 99 11.344 -3.506 -6.207 1.00 0.00 C ATOM 1563 C TRP A 99 11.078 -2.231 -7.012 1.00 0.00 C ATOM 1564 O TRP A 99 10.654 -2.279 -8.150 1.00 0.00 O ATOM 1565 CB TRP A 99 10.279 -3.691 -5.125 1.00 0.00 C ATOM 1566 CG TRP A 99 8.950 -3.925 -5.770 1.00 0.00 C ATOM 1567 CD1 TRP A 99 8.703 -4.841 -6.735 1.00 0.00 C ATOM 1568 CD2 TRP A 99 7.686 -3.247 -5.519 1.00 0.00 C ATOM 1569 NE1 TRP A 99 7.369 -4.767 -7.091 1.00 0.00 N ATOM 1570 CE2 TRP A 99 6.701 -3.800 -6.369 1.00 0.00 C ATOM 1571 CE3 TRP A 99 7.302 -2.217 -4.643 1.00 0.00 C ATOM 1572 CZ2 TRP A 99 5.384 -3.346 -6.351 1.00 0.00 C ATOM 1573 CZ3 TRP A 99 5.977 -1.758 -4.624 1.00 0.00 C ATOM 1574 CH2 TRP A 99 5.019 -2.323 -5.476 1.00 0.00 C ATOM 0 H TRP A 99 12.558 -3.365 -4.456 1.00 0.00 H new ATOM 0 HA TRP A 99 11.349 -4.343 -6.905 1.00 0.00 H new ATOM 0 HB2 TRP A 99 10.538 -4.534 -4.485 1.00 0.00 H new ATOM 0 HB3 TRP A 99 10.236 -2.808 -4.487 1.00 0.00 H new ATOM 0 HD1 TRP A 99 9.429 -5.519 -7.158 1.00 0.00 H new ATOM 0 HE1 TRP A 99 6.932 -5.355 -7.801 1.00 0.00 H new ATOM 0 HE3 TRP A 99 8.032 -1.776 -3.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 4.650 -3.784 -7.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 5.693 -0.964 -3.949 1.00 0.00 H new ATOM 0 HH2 TRP A 99 4.000 -1.967 -5.455 1.00 0.00 H new ATOM 1585 N LEU A 100 11.338 -1.089 -6.419 1.00 0.00 N ATOM 1586 CA LEU A 100 11.122 0.209 -7.137 1.00 0.00 C ATOM 1587 C LEU A 100 11.978 0.258 -8.410 1.00 0.00 C ATOM 1588 O LEU A 100 11.553 0.769 -9.430 1.00 0.00 O ATOM 1589 CB LEU A 100 11.552 1.308 -6.157 1.00 0.00 C ATOM 1590 CG LEU A 100 10.394 1.625 -5.207 1.00 0.00 C ATOM 1591 CD1 LEU A 100 10.938 2.284 -3.937 1.00 0.00 C ATOM 1592 CD2 LEU A 100 9.413 2.578 -5.898 1.00 0.00 C ATOM 0 H LEU A 100 11.691 -1.000 -5.466 1.00 0.00 H new ATOM 0 HA LEU A 100 10.083 0.333 -7.442 1.00 0.00 H new ATOM 0 HB2 LEU A 100 12.424 0.983 -5.589 1.00 0.00 H new ATOM 0 HB3 LEU A 100 11.844 2.204 -6.704 1.00 0.00 H new ATOM 0 HG LEU A 100 9.879 0.701 -4.943 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.113 2.509 -3.262 1.00 0.00 H new ATOM 0 HD12 LEU A 100 11.635 1.605 -3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 100 11.455 3.207 -4.199 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.588 2.804 -5.222 1.00 0.00 H new ATOM 0 HD22 LEU A 100 9.928 3.501 -6.163 1.00 0.00 H new ATOM 0 HD23 LEU A 100 9.024 2.108 -6.801 1.00 0.00 H new