USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 485 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 53 SER OG : rot 180:sc= 0.748 USER MOD Set 1.2: A 56 THR OG1 : rot 89:sc= 0.848 USER MOD Set 2.1: A 42 ASN : amide:sc= 0.139 K(o=0.55,f=-7.9!) USER MOD Set 2.2: A 44 THR OG1 : rot 62:sc= 0.406 USER MOD Set 3.1: A 37 SER OG : rot 170:sc= 1.26 USER MOD Set 3.2: A 40 ASN : amide:sc= 0.675 K(o=1.9,f=0.42) USER MOD Single : A 3 GLN : amide:sc= -0.824 K(o=-0.82,f=-0.086) USER MOD Single : A 5 THR OG1 : rot -140:sc= 0 USER MOD Single : A 8 ASN : amide:sc=-0.000284 X(o=-0.00028,f=-0.00028) USER MOD Single : A 12 MET CE :methyl 173:sc= -0.355 (180deg=-0.433) USER MOD Single : A 16 SER OG : rot -37:sc= 0.246 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -94:sc= 0.151 USER MOD Single : A 27 LYS NZ :NH3+ 170:sc=-0.00827 (180deg=-0.136) USER MOD Single : A 28 LYS NZ :NH3+ 173:sc=-0.00257 (180deg=-0.114) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot -82:sc= 0.178 USER MOD Single : A 41 SER OG : rot -15:sc= 0.687 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0373 USER MOD Single : A 64 MET CE :methyl -173:sc= -0.112 (180deg=-0.258) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLN A 3 1.314 -19.711 1.276 1.00 0.00 N ATOM 37 CA GLN A 3 -0.026 -19.149 1.157 1.00 0.00 C ATOM 38 C GLN A 3 0.039 -17.642 1.398 1.00 0.00 C ATOM 39 O GLN A 3 1.079 -17.119 1.789 1.00 0.00 O ATOM 40 CB GLN A 3 -0.953 -19.834 2.180 1.00 0.00 C ATOM 41 CG GLN A 3 -1.637 -21.089 1.620 1.00 0.00 C ATOM 42 CD GLN A 3 -0.665 -22.100 1.015 1.00 0.00 C ATOM 43 OE1 GLN A 3 -0.780 -22.444 -0.157 1.00 0.00 O ATOM 44 NE2 GLN A 3 0.293 -22.576 1.811 1.00 0.00 N ATOM 0 HA GLN A 3 -0.425 -19.322 0.157 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.374 -20.105 3.063 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.715 -19.125 2.504 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -2.200 -21.572 2.419 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -2.357 -20.790 0.858 1.00 0.00 H new ATOM 0 HE21 GLN A 3 0.353 -22.263 2.780 1.00 0.00 H new ATOM 0 HE22 GLN A 3 0.966 -23.253 1.451 1.00 0.00 H new ATOM 53 N GLU A 4 -1.082 -16.949 1.164 1.00 0.00 N ATOM 54 CA GLU A 4 -1.229 -15.525 1.424 1.00 0.00 C ATOM 55 C GLU A 4 -2.562 -15.284 2.124 1.00 0.00 C ATOM 56 O GLU A 4 -3.556 -15.930 1.798 1.00 0.00 O ATOM 57 CB GLU A 4 -1.107 -14.739 0.110 1.00 0.00 C ATOM 58 CG GLU A 4 -1.157 -13.223 0.340 1.00 0.00 C ATOM 59 CD GLU A 4 -0.881 -12.453 -0.947 1.00 0.00 C ATOM 60 OE1 GLU A 4 0.313 -12.186 -1.204 1.00 0.00 O ATOM 61 OE2 GLU A 4 -1.868 -12.144 -1.649 1.00 0.00 O ATOM 0 H GLU A 4 -1.925 -17.377 0.781 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.435 -15.172 2.082 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.171 -15.000 -0.383 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.914 -15.030 -0.563 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.137 -12.945 0.729 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.423 -12.944 1.096 1.00 0.00 H new ATOM 68 N THR A 5 -2.563 -14.359 3.092 1.00 0.00 N ATOM 69 CA THR A 5 -3.734 -13.986 3.872 1.00 0.00 C ATOM 70 C THR A 5 -3.860 -12.465 3.906 1.00 0.00 C ATOM 71 O THR A 5 -2.852 -11.760 3.947 1.00 0.00 O ATOM 72 CB THR A 5 -3.648 -14.586 5.286 1.00 0.00 C ATOM 73 OG1 THR A 5 -4.794 -14.235 6.037 1.00 0.00 O ATOM 74 CG2 THR A 5 -2.408 -14.128 6.064 1.00 0.00 C ATOM 0 H THR A 5 -1.725 -13.840 3.356 1.00 0.00 H new ATOM 0 HA THR A 5 -4.632 -14.390 3.404 1.00 0.00 H new ATOM 0 HB THR A 5 -3.582 -15.665 5.149 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.530 -14.024 6.957 1.00 0.00 H new ATOM 0 HG21 THR A 5 -2.408 -14.587 7.052 1.00 0.00 H new ATOM 0 HG22 THR A 5 -1.509 -14.427 5.525 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.424 -13.043 6.168 1.00 0.00 H new ATOM 82 N VAL A 6 -5.107 -11.983 3.896 1.00 0.00 N ATOM 83 CA VAL A 6 -5.459 -10.586 4.076 1.00 0.00 C ATOM 84 C VAL A 6 -6.090 -10.466 5.460 1.00 0.00 C ATOM 85 O VAL A 6 -7.063 -11.157 5.757 1.00 0.00 O ATOM 86 CB VAL A 6 -6.422 -10.120 2.969 1.00 0.00 C ATOM 87 CG1 VAL A 6 -6.759 -8.631 3.143 1.00 0.00 C ATOM 88 CG2 VAL A 6 -5.809 -10.317 1.579 1.00 0.00 C ATOM 0 H VAL A 6 -5.921 -12.582 3.757 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.580 -9.945 4.005 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.326 -10.723 3.053 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.441 -8.317 2.352 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.232 -8.476 4.113 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.844 -8.042 3.088 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.514 -9.978 0.819 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -4.888 -9.740 1.502 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.589 -11.373 1.425 1.00 0.00 H new ATOM 98 N ILE A 7 -5.528 -9.593 6.301 1.00 0.00 N ATOM 99 CA ILE A 7 -6.005 -9.324 7.648 1.00 0.00 C ATOM 100 C ILE A 7 -6.447 -7.863 7.669 1.00 0.00 C ATOM 101 O ILE A 7 -5.637 -6.990 7.380 1.00 0.00 O ATOM 102 CB ILE A 7 -4.877 -9.600 8.663 1.00 0.00 C ATOM 103 CG1 ILE A 7 -4.348 -11.039 8.494 1.00 0.00 C ATOM 104 CG2 ILE A 7 -5.384 -9.364 10.096 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.222 -11.397 9.466 1.00 0.00 C ATOM 0 H ILE A 7 -4.707 -9.042 6.051 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.840 -9.968 7.924 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.053 -8.911 8.475 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.172 -11.739 8.633 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.989 -11.168 7.473 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.579 -9.562 10.804 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.713 -8.330 10.200 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -6.220 -10.033 10.301 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.901 -12.423 9.288 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.380 -10.722 9.313 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.582 -11.302 10.491 1.00 0.00 H new ATOM 117 N ASN A 8 -7.713 -7.585 8.002 1.00 0.00 N ATOM 118 CA ASN A 8 -8.207 -6.224 8.167 1.00 0.00 C ATOM 119 C ASN A 8 -7.581 -5.633 9.429 1.00 0.00 C ATOM 120 O ASN A 8 -7.805 -6.159 10.519 1.00 0.00 O ATOM 121 CB ASN A 8 -9.737 -6.207 8.296 1.00 0.00 C ATOM 122 CG ASN A 8 -10.445 -6.928 7.156 1.00 0.00 C ATOM 123 OD1 ASN A 8 -11.142 -7.913 7.386 1.00 0.00 O ATOM 124 ND2 ASN A 8 -10.270 -6.449 5.922 1.00 0.00 N ATOM 0 H ASN A 8 -8.420 -8.302 8.164 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.935 -5.635 7.291 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -10.020 -6.670 9.241 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -10.080 -5.173 8.332 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -10.723 -6.904 5.129 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -9.683 -5.628 5.772 1.00 0.00 H new ATOM 131 N ILE A 9 -6.804 -4.555 9.277 1.00 0.00 N ATOM 132 CA ILE A 9 -6.136 -3.858 10.366 1.00 0.00 C ATOM 133 C ILE A 9 -6.810 -2.498 10.524 1.00 0.00 C ATOM 134 O ILE A 9 -6.543 -1.584 9.746 1.00 0.00 O ATOM 135 CB ILE A 9 -4.629 -3.711 10.081 1.00 0.00 C ATOM 136 CG1 ILE A 9 -3.977 -5.076 9.807 1.00 0.00 C ATOM 137 CG2 ILE A 9 -3.944 -3.035 11.277 1.00 0.00 C ATOM 138 CD1 ILE A 9 -2.473 -4.968 9.537 1.00 0.00 C ATOM 0 H ILE A 9 -6.622 -4.137 8.365 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.222 -4.425 11.293 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.507 -3.095 9.190 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.143 -5.732 10.662 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.464 -5.541 8.950 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.878 -2.931 11.075 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.381 -2.049 11.437 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.086 -3.644 12.170 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.065 -5.961 9.350 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.304 -4.336 8.665 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.978 -4.530 10.404 1.00 0.00 H new ATOM 150 N ASP A 10 -7.672 -2.366 11.536 1.00 0.00 N ATOM 151 CA ASP A 10 -8.337 -1.114 11.869 1.00 0.00 C ATOM 152 C ASP A 10 -7.606 -0.449 13.041 1.00 0.00 C ATOM 153 O ASP A 10 -7.026 -1.128 13.888 1.00 0.00 O ATOM 154 CB ASP A 10 -9.816 -1.392 12.168 1.00 0.00 C ATOM 155 CG ASP A 10 -10.545 -0.153 12.682 1.00 0.00 C ATOM 156 OD1 ASP A 10 -10.678 0.799 11.884 1.00 0.00 O ATOM 157 OD2 ASP A 10 -10.950 -0.179 13.864 1.00 0.00 O ATOM 0 H ASP A 10 -7.927 -3.138 12.152 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.302 -0.418 11.031 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.306 -1.750 11.263 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.891 -2.189 12.908 1.00 0.00 H new ATOM 162 N GLY A 11 -7.630 0.889 13.067 1.00 0.00 N ATOM 163 CA GLY A 11 -6.961 1.710 14.066 1.00 0.00 C ATOM 164 C GLY A 11 -5.564 2.150 13.618 1.00 0.00 C ATOM 165 O GLY A 11 -4.711 2.421 14.462 1.00 0.00 O ATOM 0 H GLY A 11 -8.132 1.440 12.370 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.568 2.591 14.274 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.882 1.151 14.998 1.00 0.00 H new ATOM 169 N MET A 12 -5.330 2.233 12.302 1.00 0.00 N ATOM 170 CA MET A 12 -4.087 2.723 11.723 1.00 0.00 C ATOM 171 C MET A 12 -4.177 4.246 11.603 1.00 0.00 C ATOM 172 O MET A 12 -5.162 4.759 11.072 1.00 0.00 O ATOM 173 CB MET A 12 -3.871 2.095 10.341 1.00 0.00 C ATOM 174 CG MET A 12 -3.701 0.573 10.412 1.00 0.00 C ATOM 175 SD MET A 12 -3.674 -0.275 8.807 1.00 0.00 S ATOM 176 CE MET A 12 -2.214 0.471 8.048 1.00 0.00 C ATOM 0 H MET A 12 -6.017 1.954 11.602 1.00 0.00 H new ATOM 0 HA MET A 12 -3.244 2.451 12.359 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.719 2.334 9.700 1.00 0.00 H new ATOM 0 HB3 MET A 12 -2.988 2.536 9.879 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.773 0.351 10.938 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.513 0.160 11.010 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.993 -0.036 7.109 1.00 0.00 H new ATOM 0 HE2 MET A 12 -2.404 1.527 7.854 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.363 0.373 8.722 1.00 0.00 H new ATOM 225 N SER A 16 2.906 5.469 8.967 1.00 0.00 N ATOM 226 CA SER A 16 3.726 5.418 10.166 1.00 0.00 C ATOM 227 C SER A 16 3.457 4.067 10.819 1.00 0.00 C ATOM 228 O SER A 16 4.369 3.266 11.006 1.00 0.00 O ATOM 229 CB SER A 16 3.365 6.588 11.093 1.00 0.00 C ATOM 230 OG SER A 16 1.967 6.655 11.308 1.00 0.00 O ATOM 0 HA SER A 16 4.788 5.515 9.941 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.878 6.471 12.048 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.714 7.524 10.656 1.00 0.00 H new ATOM 0 HG SER A 16 1.497 6.412 10.483 1.00 0.00 H new ATOM 236 N CYS A 17 2.179 3.814 11.125 1.00 0.00 N ATOM 237 CA CYS A 17 1.686 2.510 11.538 1.00 0.00 C ATOM 238 C CYS A 17 1.901 1.508 10.404 1.00 0.00 C ATOM 239 O CYS A 17 2.304 0.379 10.660 1.00 0.00 O ATOM 240 CB CYS A 17 0.206 2.604 11.916 1.00 0.00 C ATOM 241 SG CYS A 17 0.053 3.586 13.428 1.00 0.00 S ATOM 0 H CYS A 17 1.451 4.528 11.089 1.00 0.00 H new ATOM 0 HA CYS A 17 2.235 2.169 12.416 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.362 3.065 11.108 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.209 1.608 12.069 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.200 3.677 13.762 1.00 0.00 H new ATOM 247 N VAL A 18 1.658 1.936 9.157 1.00 0.00 N ATOM 248 CA VAL A 18 1.944 1.165 7.951 1.00 0.00 C ATOM 249 C VAL A 18 3.381 0.638 7.997 1.00 0.00 C ATOM 250 O VAL A 18 3.607 -0.570 7.951 1.00 0.00 O ATOM 251 CB VAL A 18 1.731 2.056 6.713 1.00 0.00 C ATOM 252 CG1 VAL A 18 2.148 1.341 5.420 1.00 0.00 C ATOM 253 CG2 VAL A 18 0.265 2.483 6.572 1.00 0.00 C ATOM 0 H VAL A 18 1.248 2.849 8.961 1.00 0.00 H new ATOM 0 HA VAL A 18 1.268 0.312 7.892 1.00 0.00 H new ATOM 0 HB VAL A 18 2.358 2.935 6.863 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.983 2.002 4.569 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.204 1.077 5.475 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.554 0.436 5.297 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.152 3.110 5.688 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.364 1.598 6.472 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.037 3.044 7.456 1.00 0.00 H new ATOM 263 N GLN A 19 4.340 1.568 8.090 1.00 0.00 N ATOM 264 CA GLN A 19 5.766 1.287 8.082 1.00 0.00 C ATOM 265 C GLN A 19 6.156 0.393 9.260 1.00 0.00 C ATOM 266 O GLN A 19 6.900 -0.568 9.078 1.00 0.00 O ATOM 267 CB GLN A 19 6.529 2.618 8.096 1.00 0.00 C ATOM 268 CG GLN A 19 8.041 2.416 7.945 1.00 0.00 C ATOM 269 CD GLN A 19 8.801 3.741 7.876 1.00 0.00 C ATOM 270 OE1 GLN A 19 8.214 4.816 7.974 1.00 0.00 O ATOM 271 NE2 GLN A 19 10.122 3.665 7.704 1.00 0.00 N ATOM 0 H GLN A 19 4.130 2.563 8.175 1.00 0.00 H new ATOM 0 HA GLN A 19 6.030 0.738 7.178 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.166 3.252 7.288 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.325 3.143 9.029 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.413 1.830 8.786 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.240 1.839 7.042 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.575 2.754 7.627 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.679 4.518 7.650 1.00 0.00 H new ATOM 280 N SER A 20 5.654 0.711 10.460 1.00 0.00 N ATOM 281 CA SER A 20 5.940 -0.025 11.681 1.00 0.00 C ATOM 282 C SER A 20 5.500 -1.485 11.552 1.00 0.00 C ATOM 283 O SER A 20 6.322 -2.387 11.698 1.00 0.00 O ATOM 284 CB SER A 20 5.259 0.671 12.866 1.00 0.00 C ATOM 285 OG SER A 20 5.559 0.002 14.071 1.00 0.00 O ATOM 0 H SER A 20 5.027 1.503 10.604 1.00 0.00 H new ATOM 0 HA SER A 20 7.016 -0.032 11.856 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.591 1.707 12.926 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.180 0.690 12.713 1.00 0.00 H new ATOM 0 HG SER A 20 5.119 0.459 14.817 1.00 0.00 H new ATOM 291 N ILE A 21 4.212 -1.711 11.271 1.00 0.00 N ATOM 292 CA ILE A 21 3.628 -3.040 11.141 1.00 0.00 C ATOM 293 C ILE A 21 4.403 -3.840 10.095 1.00 0.00 C ATOM 294 O ILE A 21 4.875 -4.936 10.390 1.00 0.00 O ATOM 295 CB ILE A 21 2.129 -2.938 10.793 1.00 0.00 C ATOM 296 CG1 ILE A 21 1.344 -2.311 11.963 1.00 0.00 C ATOM 297 CG2 ILE A 21 1.542 -4.322 10.468 1.00 0.00 C ATOM 298 CD1 ILE A 21 -0.044 -1.832 11.528 1.00 0.00 C ATOM 0 H ILE A 21 3.539 -0.959 11.126 1.00 0.00 H new ATOM 0 HA ILE A 21 3.702 -3.567 12.092 1.00 0.00 H new ATOM 0 HB ILE A 21 2.036 -2.301 9.913 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.241 -3.043 12.764 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.907 -1.471 12.369 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.484 -4.221 10.226 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.070 -4.750 9.616 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.656 -4.977 11.331 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.563 -1.397 12.382 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.059 -1.081 10.745 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.617 -2.677 11.147 1.00 0.00 H new ATOM 310 N GLU A 22 4.537 -3.286 8.884 1.00 0.00 N ATOM 311 CA GLU A 22 5.220 -3.942 7.781 1.00 0.00 C ATOM 312 C GLU A 22 6.645 -4.338 8.182 1.00 0.00 C ATOM 313 O GLU A 22 7.047 -5.482 7.982 1.00 0.00 O ATOM 314 CB GLU A 22 5.192 -3.022 6.553 1.00 0.00 C ATOM 315 CG GLU A 22 5.643 -3.761 5.290 1.00 0.00 C ATOM 316 CD GLU A 22 5.262 -2.982 4.036 1.00 0.00 C ATOM 317 OE1 GLU A 22 6.082 -2.134 3.620 1.00 0.00 O ATOM 318 OE2 GLU A 22 4.154 -3.244 3.516 1.00 0.00 O ATOM 0 H GLU A 22 4.170 -2.364 8.648 1.00 0.00 H new ATOM 0 HA GLU A 22 4.704 -4.867 7.524 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.183 -2.635 6.409 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.841 -2.163 6.725 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.723 -3.909 5.317 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.187 -4.750 5.261 1.00 0.00 H new ATOM 325 N GLY A 23 7.386 -3.389 8.765 1.00 0.00 N ATOM 326 CA GLY A 23 8.760 -3.559 9.209 1.00 0.00 C ATOM 327 C GLY A 23 8.926 -4.666 10.251 1.00 0.00 C ATOM 328 O GLY A 23 9.934 -5.369 10.225 1.00 0.00 O ATOM 0 H GLY A 23 7.026 -2.451 8.944 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.388 -3.784 8.347 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.118 -2.619 9.628 1.00 0.00 H new ATOM 332 N VAL A 24 7.962 -4.823 11.169 1.00 0.00 N ATOM 333 CA VAL A 24 8.020 -5.845 12.208 1.00 0.00 C ATOM 334 C VAL A 24 7.645 -7.212 11.626 1.00 0.00 C ATOM 335 O VAL A 24 8.436 -8.151 11.718 1.00 0.00 O ATOM 336 CB VAL A 24 7.134 -5.442 13.402 1.00 0.00 C ATOM 337 CG1 VAL A 24 7.043 -6.567 14.443 1.00 0.00 C ATOM 338 CG2 VAL A 24 7.716 -4.209 14.107 1.00 0.00 C ATOM 0 H VAL A 24 7.124 -4.243 11.207 1.00 0.00 H new ATOM 0 HA VAL A 24 9.040 -5.928 12.584 1.00 0.00 H new ATOM 0 HB VAL A 24 6.143 -5.230 13.001 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.410 -6.247 15.271 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.614 -7.456 13.981 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.040 -6.798 14.817 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.079 -3.936 14.948 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.718 -4.437 14.470 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.765 -3.377 13.404 1.00 0.00 H new ATOM 348 N ILE A 25 6.444 -7.332 11.043 1.00 0.00 N ATOM 349 CA ILE A 25 5.906 -8.602 10.561 1.00 0.00 C ATOM 350 C ILE A 25 6.830 -9.241 9.516 1.00 0.00 C ATOM 351 O ILE A 25 6.982 -10.461 9.519 1.00 0.00 O ATOM 352 CB ILE A 25 4.448 -8.438 10.071 1.00 0.00 C ATOM 353 CG1 ILE A 25 3.426 -8.520 11.223 1.00 0.00 C ATOM 354 CG2 ILE A 25 4.049 -9.556 9.096 1.00 0.00 C ATOM 355 CD1 ILE A 25 3.612 -7.484 12.331 1.00 0.00 C ATOM 0 H ILE A 25 5.817 -6.541 10.894 1.00 0.00 H new ATOM 0 HA ILE A 25 5.871 -9.301 11.397 1.00 0.00 H new ATOM 0 HB ILE A 25 4.426 -7.457 9.596 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.424 -8.409 10.808 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.479 -9.515 11.665 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.018 -9.407 8.774 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.708 -9.534 8.228 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.137 -10.522 9.594 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.845 -7.625 13.093 1.00 0.00 H new ATOM 0 HD12 ILE A 25 4.597 -7.605 12.781 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.526 -6.482 11.910 1.00 0.00 H new ATOM 367 N SER A 26 7.454 -8.441 8.638 1.00 0.00 N ATOM 368 CA SER A 26 8.361 -8.928 7.601 1.00 0.00 C ATOM 369 C SER A 26 9.462 -9.851 8.141 1.00 0.00 C ATOM 370 O SER A 26 9.909 -10.744 7.423 1.00 0.00 O ATOM 371 CB SER A 26 8.980 -7.745 6.851 1.00 0.00 C ATOM 372 OG SER A 26 9.696 -6.918 7.743 1.00 0.00 O ATOM 0 H SER A 26 7.338 -7.428 8.632 1.00 0.00 H new ATOM 0 HA SER A 26 7.763 -9.531 6.918 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.646 -8.110 6.069 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.197 -7.168 6.359 1.00 0.00 H new ATOM 0 HG SER A 26 9.115 -6.192 8.054 1.00 0.00 H new ATOM 378 N LYS A 27 9.897 -9.642 9.390 1.00 0.00 N ATOM 379 CA LYS A 27 11.011 -10.363 9.992 1.00 0.00 C ATOM 380 C LYS A 27 10.563 -11.647 10.699 1.00 0.00 C ATOM 381 O LYS A 27 11.415 -12.428 11.124 1.00 0.00 O ATOM 382 CB LYS A 27 11.739 -9.447 10.988 1.00 0.00 C ATOM 383 CG LYS A 27 12.096 -8.063 10.428 1.00 0.00 C ATOM 384 CD LYS A 27 13.025 -8.129 9.208 1.00 0.00 C ATOM 385 CE LYS A 27 13.330 -6.730 8.659 1.00 0.00 C ATOM 386 NZ LYS A 27 14.060 -5.898 9.630 1.00 0.00 N ATOM 0 H LYS A 27 9.474 -8.956 10.015 1.00 0.00 H new ATOM 0 HA LYS A 27 11.685 -10.656 9.187 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.112 -9.318 11.871 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.654 -9.941 11.316 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.179 -7.542 10.152 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.574 -7.473 11.210 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.956 -8.624 9.484 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.562 -8.734 8.429 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.918 -6.820 7.746 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.397 -6.236 8.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.392 -5.030 9.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.428 -5.648 10.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.876 -6.428 9.997 1.00 0.00 H new ATOM 400 N LYS A 28 9.251 -11.880 10.842 1.00 0.00 N ATOM 401 CA LYS A 28 8.735 -13.041 11.556 1.00 0.00 C ATOM 402 C LYS A 28 8.956 -14.309 10.717 1.00 0.00 C ATOM 403 O LYS A 28 8.838 -14.242 9.493 1.00 0.00 O ATOM 404 CB LYS A 28 7.244 -12.852 11.867 1.00 0.00 C ATOM 405 CG LYS A 28 6.948 -11.610 12.719 1.00 0.00 C ATOM 406 CD LYS A 28 7.381 -11.770 14.182 1.00 0.00 C ATOM 407 CE LYS A 28 7.178 -10.470 14.970 1.00 0.00 C ATOM 408 NZ LYS A 28 5.764 -10.056 15.004 1.00 0.00 N ATOM 0 H LYS A 28 8.526 -11.269 10.466 1.00 0.00 H new ATOM 0 HA LYS A 28 9.271 -13.148 12.499 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.692 -12.780 10.930 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.875 -13.736 12.387 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.459 -10.749 12.287 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.879 -11.398 12.683 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.808 -12.572 14.647 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.430 -12.062 14.223 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.540 -10.604 15.989 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.776 -9.677 14.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.656 -9.242 15.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.458 -9.788 14.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.179 -10.845 15.346 1.00 0.00 H new ATOM 422 N PRO A 29 9.267 -15.459 11.345 1.00 0.00 N ATOM 423 CA PRO A 29 9.431 -16.736 10.663 1.00 0.00 C ATOM 424 C PRO A 29 8.292 -17.033 9.687 1.00 0.00 C ATOM 425 O PRO A 29 7.124 -16.850 10.022 1.00 0.00 O ATOM 426 CB PRO A 29 9.485 -17.793 11.769 1.00 0.00 C ATOM 427 CG PRO A 29 10.098 -17.026 12.936 1.00 0.00 C ATOM 428 CD PRO A 29 9.510 -15.626 12.771 1.00 0.00 C ATOM 0 HA PRO A 29 10.336 -16.727 10.055 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.494 -18.176 12.012 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.096 -18.649 11.482 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.828 -17.467 13.896 1.00 0.00 H new ATOM 0 HG3 PRO A 29 11.187 -17.015 12.885 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.586 -15.521 13.339 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.199 -14.867 13.141 1.00 0.00 H new ATOM 436 N GLY A 30 8.640 -17.484 8.478 1.00 0.00 N ATOM 437 CA GLY A 30 7.675 -17.886 7.469 1.00 0.00 C ATOM 438 C GLY A 30 7.274 -16.756 6.529 1.00 0.00 C ATOM 439 O GLY A 30 6.972 -17.031 5.370 1.00 0.00 O ATOM 0 H GLY A 30 9.610 -17.578 8.177 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.093 -18.705 6.883 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.783 -18.271 7.963 1.00 0.00 H new ATOM 443 N VAL A 31 7.254 -15.505 7.010 1.00 0.00 N ATOM 444 CA VAL A 31 6.807 -14.368 6.217 1.00 0.00 C ATOM 445 C VAL A 31 7.784 -14.111 5.066 1.00 0.00 C ATOM 446 O VAL A 31 8.997 -14.110 5.270 1.00 0.00 O ATOM 447 CB VAL A 31 6.627 -13.123 7.102 1.00 0.00 C ATOM 448 CG1 VAL A 31 6.181 -11.922 6.256 1.00 0.00 C ATOM 449 CG2 VAL A 31 5.571 -13.393 8.182 1.00 0.00 C ATOM 0 H VAL A 31 7.547 -15.261 7.956 1.00 0.00 H new ATOM 0 HA VAL A 31 5.834 -14.599 5.784 1.00 0.00 H new ATOM 0 HB VAL A 31 7.584 -12.897 7.572 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.058 -11.050 6.898 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.935 -11.711 5.498 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.232 -12.151 5.771 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.451 -12.506 8.803 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.620 -13.636 7.708 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.891 -14.230 8.803 1.00 0.00 H new ATOM 459 N LYS A 32 7.237 -13.901 3.863 1.00 0.00 N ATOM 460 CA LYS A 32 7.978 -13.620 2.642 1.00 0.00 C ATOM 461 C LYS A 32 7.649 -12.193 2.198 1.00 0.00 C ATOM 462 O LYS A 32 8.170 -11.245 2.785 1.00 0.00 O ATOM 463 CB LYS A 32 7.646 -14.686 1.586 1.00 0.00 C ATOM 464 CG LYS A 32 8.249 -16.043 1.975 1.00 0.00 C ATOM 465 CD LYS A 32 7.720 -17.190 1.108 1.00 0.00 C ATOM 466 CE LYS A 32 8.114 -17.067 -0.368 1.00 0.00 C ATOM 467 NZ LYS A 32 7.601 -18.207 -1.145 1.00 0.00 N ATOM 0 H LYS A 32 6.228 -13.924 3.715 1.00 0.00 H new ATOM 0 HA LYS A 32 9.055 -13.673 2.801 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.565 -14.779 1.484 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.033 -14.376 0.615 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.334 -15.994 1.885 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.025 -16.250 3.022 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.096 -18.135 1.500 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.633 -17.223 1.185 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.721 -16.136 -0.777 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.199 -17.021 -0.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.880 -18.102 -2.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.996 -19.091 -0.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.564 -18.235 -1.077 1.00 0.00 H new ATOM 481 N SER A 33 6.794 -12.024 1.181 1.00 0.00 N ATOM 482 CA SER A 33 6.375 -10.716 0.703 1.00 0.00 C ATOM 483 C SER A 33 5.242 -10.183 1.580 1.00 0.00 C ATOM 484 O SER A 33 4.507 -10.958 2.189 1.00 0.00 O ATOM 485 CB SER A 33 5.958 -10.806 -0.769 1.00 0.00 C ATOM 486 OG SER A 33 4.906 -11.731 -0.943 1.00 0.00 O ATOM 0 H SER A 33 6.376 -12.801 0.669 1.00 0.00 H new ATOM 0 HA SER A 33 7.208 -10.016 0.770 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.645 -9.824 -1.122 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.813 -11.105 -1.375 1.00 0.00 H new ATOM 0 HG SER A 33 5.272 -12.639 -0.986 1.00 0.00 H new ATOM 492 N ILE A 34 5.106 -8.854 1.641 1.00 0.00 N ATOM 493 CA ILE A 34 4.089 -8.191 2.441 1.00 0.00 C ATOM 494 C ILE A 34 3.696 -6.862 1.795 1.00 0.00 C ATOM 495 O ILE A 34 4.533 -6.183 1.202 1.00 0.00 O ATOM 496 CB ILE A 34 4.569 -8.028 3.896 1.00 0.00 C ATOM 497 CG1 ILE A 34 3.496 -7.298 4.720 1.00 0.00 C ATOM 498 CG2 ILE A 34 5.920 -7.300 3.977 1.00 0.00 C ATOM 499 CD1 ILE A 34 3.696 -7.464 6.227 1.00 0.00 C ATOM 0 H ILE A 34 5.708 -8.209 1.129 1.00 0.00 H new ATOM 0 HA ILE A 34 3.192 -8.809 2.475 1.00 0.00 H new ATOM 0 HB ILE A 34 4.723 -9.022 4.315 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.511 -6.237 4.470 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.512 -7.677 4.444 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.221 -7.207 5.020 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.673 -7.869 3.432 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.825 -6.308 3.536 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.910 -6.928 6.760 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.653 -8.522 6.485 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.668 -7.060 6.512 1.00 0.00 H new ATOM 511 N ARG A 35 2.413 -6.507 1.923 1.00 0.00 N ATOM 512 CA ARG A 35 1.844 -5.247 1.479 1.00 0.00 C ATOM 513 C ARG A 35 0.853 -4.802 2.555 1.00 0.00 C ATOM 514 O ARG A 35 -0.253 -5.336 2.638 1.00 0.00 O ATOM 515 CB ARG A 35 1.188 -5.452 0.103 1.00 0.00 C ATOM 516 CG ARG A 35 0.838 -4.158 -0.648 1.00 0.00 C ATOM 517 CD ARG A 35 -0.246 -3.298 0.013 1.00 0.00 C ATOM 518 NE ARG A 35 -1.436 -4.083 0.374 1.00 0.00 N ATOM 519 CZ ARG A 35 -2.461 -4.377 -0.443 1.00 0.00 C ATOM 520 NH1 ARG A 35 -2.437 -4.027 -1.736 1.00 0.00 N ATOM 521 NH2 ARG A 35 -3.526 -5.027 0.045 1.00 0.00 N ATOM 0 H ARG A 35 1.722 -7.119 2.357 1.00 0.00 H new ATOM 0 HA ARG A 35 2.594 -4.467 1.353 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.859 -6.045 -0.518 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.277 -6.036 0.235 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.743 -3.559 -0.751 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.511 -4.417 -1.655 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.162 -2.827 0.908 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.535 -2.496 -0.666 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.488 -4.436 1.330 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.631 -3.529 -2.115 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.224 -4.259 -2.342 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.554 -5.294 1.029 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.309 -5.255 -0.567 1.00 0.00 H new ATOM 535 N VAL A 36 1.247 -3.824 3.378 1.00 0.00 N ATOM 536 CA VAL A 36 0.359 -3.193 4.343 1.00 0.00 C ATOM 537 C VAL A 36 -0.274 -1.974 3.671 1.00 0.00 C ATOM 538 O VAL A 36 0.408 -0.978 3.435 1.00 0.00 O ATOM 539 CB VAL A 36 1.120 -2.836 5.632 1.00 0.00 C ATOM 540 CG1 VAL A 36 0.182 -2.169 6.647 1.00 0.00 C ATOM 541 CG2 VAL A 36 1.707 -4.097 6.277 1.00 0.00 C ATOM 0 H VAL A 36 2.196 -3.451 3.388 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.434 -3.877 4.647 1.00 0.00 H new ATOM 0 HB VAL A 36 1.921 -2.149 5.361 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.739 -1.924 7.551 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.230 -1.256 6.217 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.630 -2.852 6.895 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.242 -3.825 7.187 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.901 -4.789 6.522 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.396 -4.575 5.581 1.00 0.00 H new ATOM 551 N SER A 37 -1.574 -2.056 3.357 1.00 0.00 N ATOM 552 CA SER A 37 -2.310 -0.971 2.722 1.00 0.00 C ATOM 553 C SER A 37 -2.909 -0.053 3.782 1.00 0.00 C ATOM 554 O SER A 37 -3.591 -0.516 4.696 1.00 0.00 O ATOM 555 CB SER A 37 -3.422 -1.525 1.828 1.00 0.00 C ATOM 556 OG SER A 37 -4.159 -0.460 1.262 1.00 0.00 O ATOM 0 H SER A 37 -2.141 -2.884 3.540 1.00 0.00 H new ATOM 0 HA SER A 37 -1.616 -0.401 2.104 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.993 -2.142 1.038 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.083 -2.167 2.410 1.00 0.00 H new ATOM 0 HG SER A 37 -4.761 -0.809 0.572 1.00 0.00 H new ATOM 562 N LEU A 38 -2.663 1.252 3.628 1.00 0.00 N ATOM 563 CA LEU A 38 -3.271 2.310 4.418 1.00 0.00 C ATOM 564 C LEU A 38 -4.724 2.471 3.962 1.00 0.00 C ATOM 565 O LEU A 38 -5.648 2.349 4.765 1.00 0.00 O ATOM 566 CB LEU A 38 -2.454 3.598 4.213 1.00 0.00 C ATOM 567 CG LEU A 38 -2.588 4.645 5.333 1.00 0.00 C ATOM 568 CD1 LEU A 38 -1.668 5.826 4.999 1.00 0.00 C ATOM 569 CD2 LEU A 38 -4.020 5.163 5.509 1.00 0.00 C ATOM 0 H LEU A 38 -2.013 1.605 2.925 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.271 2.076 5.483 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.402 3.330 4.112 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.758 4.056 3.272 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.309 4.163 6.270 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.747 6.581 5.781 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.637 5.477 4.934 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.965 6.260 4.044 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.045 5.898 6.314 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.355 5.629 4.582 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.680 4.331 5.756 1.00 0.00 H new ATOM 581 N ALA A 39 -4.908 2.734 2.660 1.00 0.00 N ATOM 582 CA ALA A 39 -6.189 3.023 2.027 1.00 0.00 C ATOM 583 C ALA A 39 -7.219 1.919 2.268 1.00 0.00 C ATOM 584 O ALA A 39 -8.362 2.213 2.609 1.00 0.00 O ATOM 585 CB ALA A 39 -5.973 3.238 0.526 1.00 0.00 C ATOM 0 H ALA A 39 -4.132 2.750 1.998 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.591 3.930 2.478 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.929 3.454 0.048 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.293 4.076 0.373 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.544 2.337 0.087 1.00 0.00 H new ATOM 591 N ASN A 40 -6.811 0.654 2.101 1.00 0.00 N ATOM 592 CA ASN A 40 -7.684 -0.495 2.316 1.00 0.00 C ATOM 593 C ASN A 40 -7.625 -0.965 3.774 1.00 0.00 C ATOM 594 O ASN A 40 -8.442 -1.792 4.171 1.00 0.00 O ATOM 595 CB ASN A 40 -7.293 -1.640 1.376 1.00 0.00 C ATOM 596 CG ASN A 40 -7.237 -1.207 -0.086 1.00 0.00 C ATOM 597 OD1 ASN A 40 -6.164 -1.181 -0.685 1.00 0.00 O ATOM 598 ND2 ASN A 40 -8.390 -0.865 -0.666 1.00 0.00 N ATOM 0 H ASN A 40 -5.865 0.404 1.813 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.707 -0.189 2.098 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.320 -2.032 1.672 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.010 -2.454 1.483 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.402 -0.568 -1.642 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.259 -0.900 -0.133 1.00 0.00 H new ATOM 605 N SER A 41 -6.672 -0.444 4.563 1.00 0.00 N ATOM 606 CA SER A 41 -6.526 -0.712 5.985 1.00 0.00 C ATOM 607 C SER A 41 -6.397 -2.213 6.239 1.00 0.00 C ATOM 608 O SER A 41 -7.201 -2.797 6.965 1.00 0.00 O ATOM 609 CB SER A 41 -7.677 -0.062 6.767 1.00 0.00 C ATOM 610 OG SER A 41 -7.812 1.295 6.395 1.00 0.00 O ATOM 0 H SER A 41 -5.962 0.196 4.207 1.00 0.00 H new ATOM 0 HA SER A 41 -5.603 -0.260 6.349 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.607 -0.595 6.570 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.487 -0.136 7.838 1.00 0.00 H new ATOM 0 HG SER A 41 -7.012 1.581 5.907 1.00 0.00 H new ATOM 616 N ASN A 42 -5.382 -2.836 5.626 1.00 0.00 N ATOM 617 CA ASN A 42 -5.140 -4.265 5.754 1.00 0.00 C ATOM 618 C ASN A 42 -3.651 -4.587 5.725 1.00 0.00 C ATOM 619 O ASN A 42 -2.840 -3.772 5.292 1.00 0.00 O ATOM 620 CB ASN A 42 -5.922 -5.063 4.694 1.00 0.00 C ATOM 621 CG ASN A 42 -5.394 -4.938 3.258 1.00 0.00 C ATOM 622 OD1 ASN A 42 -4.203 -5.087 2.990 1.00 0.00 O ATOM 623 ND2 ASN A 42 -6.295 -4.685 2.307 1.00 0.00 N ATOM 0 H ASN A 42 -4.709 -2.356 5.028 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.512 -4.575 6.730 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.914 -6.116 4.976 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -6.962 -4.736 4.711 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.001 -4.611 1.333 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.277 -4.565 2.554 1.00 0.00 H new ATOM 630 N GLY A 43 -3.328 -5.803 6.173 1.00 0.00 N ATOM 631 CA GLY A 43 -2.032 -6.433 6.059 1.00 0.00 C ATOM 632 C GLY A 43 -2.200 -7.647 5.157 1.00 0.00 C ATOM 633 O GLY A 43 -2.790 -8.644 5.575 1.00 0.00 O ATOM 0 H GLY A 43 -4.007 -6.397 6.649 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.303 -5.740 5.639 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.661 -6.731 7.040 1.00 0.00 H new ATOM 637 N THR A 44 -1.683 -7.560 3.927 1.00 0.00 N ATOM 638 CA THR A 44 -1.693 -8.643 2.959 1.00 0.00 C ATOM 639 C THR A 44 -0.313 -9.290 3.021 1.00 0.00 C ATOM 640 O THR A 44 0.645 -8.757 2.463 1.00 0.00 O ATOM 641 CB THR A 44 -2.044 -8.092 1.571 1.00 0.00 C ATOM 642 OG1 THR A 44 -3.342 -7.534 1.620 1.00 0.00 O ATOM 643 CG2 THR A 44 -2.008 -9.188 0.500 1.00 0.00 C ATOM 0 H THR A 44 -1.238 -6.712 3.576 1.00 0.00 H new ATOM 0 HA THR A 44 -2.449 -9.397 3.178 1.00 0.00 H new ATOM 0 HB THR A 44 -1.304 -7.337 1.304 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.354 -6.788 2.256 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.262 -8.758 -0.469 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.008 -9.620 0.455 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.728 -9.967 0.752 1.00 0.00 H new ATOM 651 N VAL A 45 -0.222 -10.418 3.736 1.00 0.00 N ATOM 652 CA VAL A 45 1.027 -11.070 4.104 1.00 0.00 C ATOM 653 C VAL A 45 1.114 -12.434 3.421 1.00 0.00 C ATOM 654 O VAL A 45 0.204 -13.246 3.579 1.00 0.00 O ATOM 655 CB VAL A 45 1.085 -11.237 5.637 1.00 0.00 C ATOM 656 CG1 VAL A 45 2.482 -11.698 6.069 1.00 0.00 C ATOM 657 CG2 VAL A 45 0.736 -9.939 6.377 1.00 0.00 C ATOM 0 H VAL A 45 -1.045 -10.912 4.082 1.00 0.00 H new ATOM 0 HA VAL A 45 1.870 -10.459 3.780 1.00 0.00 H new ATOM 0 HB VAL A 45 0.341 -11.989 5.901 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.509 -11.812 7.153 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.712 -12.654 5.598 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.220 -10.957 5.764 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.791 -10.107 7.453 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.443 -9.158 6.096 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.274 -9.628 6.109 1.00 0.00 H new ATOM 667 N GLU A 46 2.208 -12.687 2.688 1.00 0.00 N ATOM 668 CA GLU A 46 2.545 -14.001 2.157 1.00 0.00 C ATOM 669 C GLU A 46 3.395 -14.717 3.206 1.00 0.00 C ATOM 670 O GLU A 46 4.331 -14.121 3.734 1.00 0.00 O ATOM 671 CB GLU A 46 3.298 -13.854 0.833 1.00 0.00 C ATOM 672 CG GLU A 46 3.539 -15.214 0.165 1.00 0.00 C ATOM 673 CD GLU A 46 4.280 -15.051 -1.157 1.00 0.00 C ATOM 674 OE1 GLU A 46 5.496 -14.768 -1.095 1.00 0.00 O ATOM 675 OE2 GLU A 46 3.619 -15.210 -2.207 1.00 0.00 O ATOM 0 H GLU A 46 2.890 -11.968 2.448 1.00 0.00 H new ATOM 0 HA GLU A 46 1.647 -14.583 1.953 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.729 -13.213 0.160 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.254 -13.361 1.010 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.116 -15.854 0.833 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.585 -15.712 -0.008 1.00 0.00 H new ATOM 682 N TYR A 47 3.057 -15.973 3.525 1.00 0.00 N ATOM 683 CA TYR A 47 3.641 -16.697 4.643 1.00 0.00 C ATOM 684 C TYR A 47 3.679 -18.208 4.399 1.00 0.00 C ATOM 685 O TYR A 47 2.887 -18.740 3.621 1.00 0.00 O ATOM 686 CB TYR A 47 2.846 -16.380 5.915 1.00 0.00 C ATOM 687 CG TYR A 47 1.473 -17.029 5.946 1.00 0.00 C ATOM 688 CD1 TYR A 47 0.434 -16.504 5.154 1.00 0.00 C ATOM 689 CD2 TYR A 47 1.300 -18.274 6.580 1.00 0.00 C ATOM 690 CE1 TYR A 47 -0.761 -17.222 4.988 1.00 0.00 C ATOM 691 CE2 TYR A 47 0.101 -18.989 6.418 1.00 0.00 C ATOM 692 CZ TYR A 47 -0.927 -18.466 5.615 1.00 0.00 C ATOM 693 OH TYR A 47 -2.086 -19.164 5.443 1.00 0.00 O ATOM 0 H TYR A 47 2.365 -16.512 3.006 1.00 0.00 H new ATOM 0 HA TYR A 47 4.675 -16.371 4.757 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.416 -16.712 6.783 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.731 -15.300 6.003 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.557 -15.545 4.672 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.091 -18.681 7.193 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.554 -16.816 4.377 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.030 -19.941 6.911 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.039 -20.005 5.944 1.00 0.00 H new ATOM 703 N ASP A 48 4.590 -18.893 5.103 1.00 0.00 N ATOM 704 CA ASP A 48 4.699 -20.346 5.127 1.00 0.00 C ATOM 705 C ASP A 48 3.903 -20.917 6.314 1.00 0.00 C ATOM 706 O ASP A 48 4.225 -20.580 7.454 1.00 0.00 O ATOM 707 CB ASP A 48 6.176 -20.733 5.241 1.00 0.00 C ATOM 708 CG ASP A 48 6.340 -22.248 5.310 1.00 0.00 C ATOM 709 OD1 ASP A 48 6.289 -22.879 4.233 1.00 0.00 O ATOM 710 OD2 ASP A 48 6.503 -22.746 6.445 1.00 0.00 O ATOM 0 H ASP A 48 5.289 -18.432 5.686 1.00 0.00 H new ATOM 0 HA ASP A 48 4.286 -20.760 4.207 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.725 -20.343 4.384 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.608 -20.276 6.131 1.00 0.00 H new ATOM 715 N PRO A 49 2.894 -21.779 6.077 1.00 0.00 N ATOM 716 CA PRO A 49 2.075 -22.418 7.107 1.00 0.00 C ATOM 717 C PRO A 49 2.842 -23.044 8.274 1.00 0.00 C ATOM 718 O PRO A 49 2.413 -22.931 9.420 1.00 0.00 O ATOM 719 CB PRO A 49 1.261 -23.491 6.384 1.00 0.00 C ATOM 720 CG PRO A 49 1.085 -22.899 4.993 1.00 0.00 C ATOM 721 CD PRO A 49 2.409 -22.172 4.760 1.00 0.00 C ATOM 0 HA PRO A 49 1.470 -21.646 7.582 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.786 -24.446 6.354 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.303 -23.669 6.872 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.912 -23.672 4.244 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.236 -22.216 4.949 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.127 -22.821 4.259 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.267 -21.300 4.121 1.00 0.00 H new ATOM 729 N LEU A 50 3.956 -23.728 7.990 1.00 0.00 N ATOM 730 CA LEU A 50 4.694 -24.481 8.997 1.00 0.00 C ATOM 731 C LEU A 50 5.361 -23.557 10.020 1.00 0.00 C ATOM 732 O LEU A 50 5.545 -23.955 11.170 1.00 0.00 O ATOM 733 CB LEU A 50 5.737 -25.398 8.339 1.00 0.00 C ATOM 734 CG LEU A 50 5.188 -26.280 7.204 1.00 0.00 C ATOM 735 CD1 LEU A 50 6.326 -27.139 6.642 1.00 0.00 C ATOM 736 CD2 LEU A 50 4.050 -27.190 7.682 1.00 0.00 C ATOM 0 H LEU A 50 4.366 -23.772 7.057 1.00 0.00 H new ATOM 0 HA LEU A 50 3.974 -25.101 9.531 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.546 -24.783 7.945 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.170 -26.042 9.105 1.00 0.00 H new ATOM 0 HG LEU A 50 4.784 -25.624 6.433 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.944 -27.767 5.837 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.113 -26.492 6.255 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.731 -27.770 7.433 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.693 -27.795 6.848 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.415 -27.844 8.474 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.232 -26.579 8.064 1.00 0.00 H new ATOM 748 N LEU A 51 5.730 -22.339 9.603 1.00 0.00 N ATOM 749 CA LEU A 51 6.491 -21.393 10.408 1.00 0.00 C ATOM 750 C LEU A 51 5.589 -20.331 11.047 1.00 0.00 C ATOM 751 O LEU A 51 5.883 -19.883 12.154 1.00 0.00 O ATOM 752 CB LEU A 51 7.582 -20.764 9.534 1.00 0.00 C ATOM 753 CG LEU A 51 8.665 -21.767 9.096 1.00 0.00 C ATOM 754 CD1 LEU A 51 9.534 -21.136 8.004 1.00 0.00 C ATOM 755 CD2 LEU A 51 9.566 -22.187 10.266 1.00 0.00 C ATOM 0 H LEU A 51 5.500 -21.982 8.676 1.00 0.00 H new ATOM 0 HA LEU A 51 6.959 -21.925 11.236 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.121 -20.327 8.648 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.053 -19.949 10.083 1.00 0.00 H new ATOM 0 HG LEU A 51 8.158 -22.656 8.721 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.301 -21.846 7.694 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.911 -20.877 7.148 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.009 -20.235 8.392 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.316 -22.895 9.912 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.063 -21.308 10.677 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.961 -22.657 11.041 1.00 0.00 H new ATOM 767 N THR A 52 4.495 -19.931 10.382 1.00 0.00 N ATOM 768 CA THR A 52 3.494 -19.033 10.955 1.00 0.00 C ATOM 769 C THR A 52 2.133 -19.279 10.301 1.00 0.00 C ATOM 770 O THR A 52 2.022 -20.091 9.386 1.00 0.00 O ATOM 771 CB THR A 52 3.954 -17.568 10.857 1.00 0.00 C ATOM 772 OG1 THR A 52 3.114 -16.734 11.630 1.00 0.00 O ATOM 773 CG2 THR A 52 3.966 -17.060 9.414 1.00 0.00 C ATOM 0 H THR A 52 4.283 -20.225 9.429 1.00 0.00 H new ATOM 0 HA THR A 52 3.381 -19.246 12.018 1.00 0.00 H new ATOM 0 HB THR A 52 4.974 -17.533 11.240 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.420 -15.806 11.559 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.297 -16.022 9.397 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.648 -17.669 8.820 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.961 -17.127 8.996 1.00 0.00 H new ATOM 781 N SER A 53 1.093 -18.584 10.776 1.00 0.00 N ATOM 782 CA SER A 53 -0.283 -18.775 10.339 1.00 0.00 C ATOM 783 C SER A 53 -1.058 -17.457 10.456 1.00 0.00 C ATOM 784 O SER A 53 -0.607 -16.561 11.168 1.00 0.00 O ATOM 785 CB SER A 53 -0.915 -19.888 11.186 1.00 0.00 C ATOM 786 OG SER A 53 -0.990 -19.495 12.539 1.00 0.00 O ATOM 0 H SER A 53 1.193 -17.861 11.488 1.00 0.00 H new ATOM 0 HA SER A 53 -0.314 -19.075 9.291 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.913 -20.117 10.811 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.325 -20.800 11.098 1.00 0.00 H new ATOM 0 HG SER A 53 -1.396 -20.214 13.066 1.00 0.00 H new ATOM 792 N PRO A 54 -2.220 -17.315 9.788 1.00 0.00 N ATOM 793 CA PRO A 54 -3.029 -16.103 9.832 1.00 0.00 C ATOM 794 C PRO A 54 -3.358 -15.663 11.259 1.00 0.00 C ATOM 795 O PRO A 54 -3.251 -14.483 11.574 1.00 0.00 O ATOM 796 CB PRO A 54 -4.296 -16.412 9.027 1.00 0.00 C ATOM 797 CG PRO A 54 -3.828 -17.494 8.057 1.00 0.00 C ATOM 798 CD PRO A 54 -2.846 -18.292 8.909 1.00 0.00 C ATOM 0 HA PRO A 54 -2.480 -15.263 9.406 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.105 -16.765 9.667 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.666 -15.531 8.502 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.655 -18.110 7.705 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.349 -17.070 7.175 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.359 -19.065 9.482 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.105 -18.795 8.288 1.00 0.00 H new ATOM 806 N GLU A 55 -3.746 -16.615 12.116 1.00 0.00 N ATOM 807 CA GLU A 55 -4.066 -16.357 13.513 1.00 0.00 C ATOM 808 C GLU A 55 -2.854 -15.861 14.313 1.00 0.00 C ATOM 809 O GLU A 55 -3.018 -15.042 15.214 1.00 0.00 O ATOM 810 CB GLU A 55 -4.719 -17.591 14.152 1.00 0.00 C ATOM 811 CG GLU A 55 -3.848 -18.853 14.116 1.00 0.00 C ATOM 812 CD GLU A 55 -4.563 -20.019 14.790 1.00 0.00 C ATOM 813 OE1 GLU A 55 -4.409 -20.144 16.024 1.00 0.00 O ATOM 814 OE2 GLU A 55 -5.252 -20.763 14.059 1.00 0.00 O ATOM 0 H GLU A 55 -3.846 -17.595 11.850 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.790 -15.542 13.540 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.965 -17.362 15.189 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -5.659 -17.797 13.640 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.615 -19.111 13.083 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.900 -18.661 14.619 1.00 0.00 H new ATOM 821 N THR A 56 -1.643 -16.339 13.990 1.00 0.00 N ATOM 822 CA THR A 56 -0.419 -15.915 14.659 1.00 0.00 C ATOM 823 C THR A 56 -0.084 -14.477 14.260 1.00 0.00 C ATOM 824 O THR A 56 0.203 -13.648 15.122 1.00 0.00 O ATOM 825 CB THR A 56 0.732 -16.877 14.326 1.00 0.00 C ATOM 826 OG1 THR A 56 0.383 -18.195 14.695 1.00 0.00 O ATOM 827 CG2 THR A 56 2.018 -16.499 15.069 1.00 0.00 C ATOM 0 H THR A 56 -1.492 -17.031 13.256 1.00 0.00 H new ATOM 0 HA THR A 56 -0.567 -15.942 15.739 1.00 0.00 H new ATOM 0 HB THR A 56 0.907 -16.810 13.252 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.073 -18.634 13.947 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.809 -17.202 14.808 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.320 -15.491 14.784 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.841 -16.535 16.144 1.00 0.00 H new ATOM 835 N LEU A 57 -0.130 -14.186 12.955 1.00 0.00 N ATOM 836 CA LEU A 57 0.108 -12.856 12.409 1.00 0.00 C ATOM 837 C LEU A 57 -0.886 -11.857 13.008 1.00 0.00 C ATOM 838 O LEU A 57 -0.483 -10.812 13.514 1.00 0.00 O ATOM 839 CB LEU A 57 0.002 -12.904 10.876 1.00 0.00 C ATOM 840 CG LEU A 57 1.091 -13.773 10.217 1.00 0.00 C ATOM 841 CD1 LEU A 57 0.714 -14.047 8.757 1.00 0.00 C ATOM 842 CD2 LEU A 57 2.462 -13.092 10.265 1.00 0.00 C ATOM 0 H LEU A 57 -0.338 -14.884 12.241 1.00 0.00 H new ATOM 0 HA LEU A 57 1.112 -12.524 12.673 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.979 -13.290 10.598 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.068 -11.890 10.482 1.00 0.00 H new ATOM 0 HG LEU A 57 1.156 -14.708 10.773 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.484 -14.662 8.291 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.240 -14.572 8.720 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.629 -13.102 8.220 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.204 -13.734 9.791 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.414 -12.141 9.735 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.745 -12.916 11.303 1.00 0.00 H new ATOM 854 N ARG A 58 -2.180 -12.199 12.973 1.00 0.00 N ATOM 855 CA ARG A 58 -3.255 -11.451 13.611 1.00 0.00 C ATOM 856 C ARG A 58 -2.933 -11.201 15.086 1.00 0.00 C ATOM 857 O ARG A 58 -3.069 -10.076 15.558 1.00 0.00 O ATOM 858 CB ARG A 58 -4.566 -12.231 13.445 1.00 0.00 C ATOM 859 CG ARG A 58 -5.746 -11.557 14.155 1.00 0.00 C ATOM 860 CD ARG A 58 -7.074 -12.222 13.784 1.00 0.00 C ATOM 861 NE ARG A 58 -7.052 -13.674 14.010 1.00 0.00 N ATOM 862 CZ ARG A 58 -7.166 -14.276 15.204 1.00 0.00 C ATOM 863 NH1 ARG A 58 -7.281 -13.560 16.332 1.00 0.00 N ATOM 864 NH2 ARG A 58 -7.166 -15.614 15.271 1.00 0.00 N ATOM 0 H ARG A 58 -2.511 -13.030 12.483 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.362 -10.476 13.136 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.794 -12.330 12.384 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.437 -13.239 13.839 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.601 -11.608 15.234 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.779 -10.501 13.887 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.877 -11.777 14.371 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.297 -12.023 12.736 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.941 -14.273 13.192 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.283 -12.541 16.291 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.367 -14.035 17.231 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.080 -16.167 14.418 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.252 -16.079 16.175 1.00 0.00 H new ATOM 878 N GLY A 59 -2.502 -12.246 15.803 1.00 0.00 N ATOM 879 CA GLY A 59 -2.110 -12.175 17.201 1.00 0.00 C ATOM 880 C GLY A 59 -1.016 -11.134 17.441 1.00 0.00 C ATOM 881 O GLY A 59 -1.135 -10.327 18.359 1.00 0.00 O ATOM 0 H GLY A 59 -2.417 -13.184 15.410 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.981 -11.931 17.809 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.757 -13.153 17.528 1.00 0.00 H new ATOM 885 N ALA A 60 0.043 -11.146 16.622 1.00 0.00 N ATOM 886 CA ALA A 60 1.159 -10.213 16.733 1.00 0.00 C ATOM 887 C ALA A 60 0.703 -8.768 16.514 1.00 0.00 C ATOM 888 O ALA A 60 1.062 -7.880 17.285 1.00 0.00 O ATOM 889 CB ALA A 60 2.254 -10.597 15.734 1.00 0.00 C ATOM 0 H ALA A 60 0.145 -11.813 15.857 1.00 0.00 H new ATOM 0 HA ALA A 60 1.562 -10.275 17.744 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.086 -9.898 15.820 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.605 -11.607 15.949 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.852 -10.560 14.722 1.00 0.00 H new ATOM 895 N ILE A 61 -0.092 -8.535 15.463 1.00 0.00 N ATOM 896 CA ILE A 61 -0.635 -7.222 15.139 1.00 0.00 C ATOM 897 C ILE A 61 -1.517 -6.721 16.292 1.00 0.00 C ATOM 898 O ILE A 61 -1.420 -5.560 16.691 1.00 0.00 O ATOM 899 CB ILE A 61 -1.379 -7.295 13.792 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.409 -7.645 12.645 1.00 0.00 C ATOM 901 CG2 ILE A 61 -2.056 -5.954 13.483 1.00 0.00 C ATOM 902 CD1 ILE A 61 -1.139 -8.198 11.417 1.00 0.00 C ATOM 0 H ILE A 61 -0.376 -9.265 14.810 1.00 0.00 H new ATOM 0 HA ILE A 61 0.167 -6.493 15.023 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.134 -8.077 13.872 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.152 -6.754 12.361 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.316 -8.380 12.996 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.578 -6.021 12.528 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.771 -5.717 14.271 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.301 -5.169 13.430 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.414 -8.430 10.637 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.678 -9.104 11.692 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.845 -7.454 11.048 1.00 0.00 H new ATOM 914 N GLU A 62 -2.363 -7.601 16.835 1.00 0.00 N ATOM 915 CA GLU A 62 -3.233 -7.296 17.959 1.00 0.00 C ATOM 916 C GLU A 62 -2.415 -6.957 19.208 1.00 0.00 C ATOM 917 O GLU A 62 -2.754 -6.018 19.926 1.00 0.00 O ATOM 918 CB GLU A 62 -4.189 -8.476 18.196 1.00 0.00 C ATOM 919 CG GLU A 62 -5.372 -8.101 19.097 1.00 0.00 C ATOM 920 CD GLU A 62 -6.273 -7.050 18.452 1.00 0.00 C ATOM 921 OE1 GLU A 62 -6.848 -7.367 17.386 1.00 0.00 O ATOM 922 OE2 GLU A 62 -6.371 -5.946 19.032 1.00 0.00 O ATOM 0 H GLU A 62 -2.459 -8.558 16.496 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.829 -6.413 17.729 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.565 -8.833 17.237 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.638 -9.300 18.649 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.957 -8.994 19.317 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.997 -7.723 20.048 1.00 0.00 H new ATOM 929 N ASP A 63 -1.336 -7.711 19.455 1.00 0.00 N ATOM 930 CA ASP A 63 -0.436 -7.509 20.580 1.00 0.00 C ATOM 931 C ASP A 63 0.222 -6.128 20.521 1.00 0.00 C ATOM 932 O ASP A 63 0.301 -5.453 21.545 1.00 0.00 O ATOM 933 CB ASP A 63 0.609 -8.631 20.620 1.00 0.00 C ATOM 934 CG ASP A 63 1.544 -8.485 21.816 1.00 0.00 C ATOM 935 OD1 ASP A 63 1.120 -8.885 22.922 1.00 0.00 O ATOM 936 OD2 ASP A 63 2.665 -7.973 21.604 1.00 0.00 O ATOM 0 H ASP A 63 -1.065 -8.494 18.860 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.015 -7.546 21.503 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.105 -9.597 20.667 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.191 -8.620 19.699 1.00 0.00 H new ATOM 941 N MET A 64 0.679 -5.702 19.334 1.00 0.00 N ATOM 942 CA MET A 64 1.197 -4.352 19.136 1.00 0.00 C ATOM 943 C MET A 64 0.131 -3.315 19.492 1.00 0.00 C ATOM 944 O MET A 64 0.412 -2.397 20.261 1.00 0.00 O ATOM 945 CB MET A 64 1.698 -4.154 17.700 1.00 0.00 C ATOM 946 CG MET A 64 3.033 -4.870 17.466 1.00 0.00 C ATOM 947 SD MET A 64 3.859 -4.445 15.908 1.00 0.00 S ATOM 948 CE MET A 64 2.630 -5.046 14.729 1.00 0.00 C ATOM 0 H MET A 64 0.698 -6.282 18.495 1.00 0.00 H new ATOM 0 HA MET A 64 2.048 -4.214 19.802 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.954 -4.532 16.999 1.00 0.00 H new ATOM 0 HB3 MET A 64 1.815 -3.089 17.498 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.704 -4.637 18.293 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.861 -5.946 17.488 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.032 -4.977 13.718 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.388 -6.085 14.953 1.00 0.00 H new ATOM 0 HE3 MET A 64 1.728 -4.439 14.803 1.00 0.00 H new ATOM 958 N GLY A 65 -1.085 -3.471 18.950 1.00 0.00 N ATOM 959 CA GLY A 65 -2.241 -2.676 19.338 1.00 0.00 C ATOM 960 C GLY A 65 -2.975 -2.119 18.126 1.00 0.00 C ATOM 961 O GLY A 65 -3.065 -0.903 17.962 1.00 0.00 O ATOM 0 H GLY A 65 -1.287 -4.160 18.225 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.923 -3.289 19.926 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.919 -1.854 19.978 1.00 0.00 H new ATOM 965 N PHE A 66 -3.514 -3.014 17.291 1.00 0.00 N ATOM 966 CA PHE A 66 -4.397 -2.671 16.185 1.00 0.00 C ATOM 967 C PHE A 66 -5.500 -3.720 16.122 1.00 0.00 C ATOM 968 O PHE A 66 -5.232 -4.896 16.366 1.00 0.00 O ATOM 969 CB PHE A 66 -3.618 -2.637 14.867 1.00 0.00 C ATOM 970 CG PHE A 66 -2.397 -1.742 14.871 1.00 0.00 C ATOM 971 CD1 PHE A 66 -2.547 -0.363 14.643 1.00 0.00 C ATOM 972 CD2 PHE A 66 -1.126 -2.269 15.167 1.00 0.00 C ATOM 973 CE1 PHE A 66 -1.429 0.484 14.700 1.00 0.00 C ATOM 974 CE2 PHE A 66 -0.005 -1.423 15.211 1.00 0.00 C ATOM 975 CZ PHE A 66 -0.155 -0.047 14.971 1.00 0.00 C ATOM 0 H PHE A 66 -3.341 -4.016 17.372 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.826 -1.681 16.341 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.306 -3.652 14.620 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.289 -2.308 14.074 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.523 0.045 14.424 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.012 -3.325 15.361 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.547 1.545 14.536 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.971 -1.830 15.429 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.707 0.603 14.995 1.00 0.00 H new ATOM 985 N ASP A 67 -6.731 -3.312 15.795 1.00 0.00 N ATOM 986 CA ASP A 67 -7.861 -4.222 15.698 1.00 0.00 C ATOM 987 C ASP A 67 -7.688 -5.098 14.455 1.00 0.00 C ATOM 988 O ASP A 67 -8.072 -4.709 13.353 1.00 0.00 O ATOM 989 CB ASP A 67 -9.172 -3.427 15.686 1.00 0.00 C ATOM 990 CG ASP A 67 -10.382 -4.328 15.446 1.00 0.00 C ATOM 991 OD1 ASP A 67 -10.552 -5.277 16.242 1.00 0.00 O ATOM 992 OD2 ASP A 67 -11.114 -4.056 14.470 1.00 0.00 O ATOM 0 H ASP A 67 -6.965 -2.340 15.591 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.901 -4.881 16.566 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.290 -2.907 16.636 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.127 -2.664 14.908 1.00 0.00 H new ATOM 997 N ALA A 68 -7.088 -6.276 14.657 1.00 0.00 N ATOM 998 CA ALA A 68 -6.720 -7.219 13.614 1.00 0.00 C ATOM 999 C ALA A 68 -7.767 -8.327 13.539 1.00 0.00 C ATOM 1000 O ALA A 68 -7.992 -9.027 14.525 1.00 0.00 O ATOM 1001 CB ALA A 68 -5.334 -7.783 13.926 1.00 0.00 C ATOM 0 H ALA A 68 -6.839 -6.604 15.590 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.684 -6.723 12.644 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.047 -8.492 13.150 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.609 -6.969 13.960 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.356 -8.290 14.891 1.00 0.00 H new ATOM 1007 N THR A 69 -8.404 -8.481 12.372 1.00 0.00 N ATOM 1008 CA THR A 69 -9.412 -9.503 12.113 1.00 0.00 C ATOM 1009 C THR A 69 -9.172 -10.083 10.719 1.00 0.00 C ATOM 1010 O THR A 69 -8.833 -9.345 9.799 1.00 0.00 O ATOM 1011 CB THR A 69 -10.823 -8.904 12.241 1.00 0.00 C ATOM 1012 OG1 THR A 69 -10.971 -7.786 11.391 1.00 0.00 O ATOM 1013 CG2 THR A 69 -11.136 -8.478 13.679 1.00 0.00 C ATOM 0 H THR A 69 -8.225 -7.882 11.566 1.00 0.00 H new ATOM 0 HA THR A 69 -9.334 -10.305 12.847 1.00 0.00 H new ATOM 0 HB THR A 69 -11.523 -9.687 11.949 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.875 -7.420 11.486 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.142 -8.061 13.724 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.073 -9.345 14.337 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.416 -7.725 14.000 1.00 0.00 H new ATOM 1021 N LEU A 70 -9.330 -11.402 10.558 1.00 0.00 N ATOM 1022 CA LEU A 70 -9.055 -12.078 9.295 1.00 0.00 C ATOM 1023 C LEU A 70 -10.076 -11.659 8.235 1.00 0.00 C ATOM 1024 O LEU A 70 -11.278 -11.814 8.443 1.00 0.00 O ATOM 1025 CB LEU A 70 -9.078 -13.605 9.479 1.00 0.00 C ATOM 1026 CG LEU A 70 -8.118 -14.133 10.559 1.00 0.00 C ATOM 1027 CD1 LEU A 70 -8.193 -15.664 10.601 1.00 0.00 C ATOM 1028 CD2 LEU A 70 -6.668 -13.710 10.303 1.00 0.00 C ATOM 0 H LEU A 70 -9.651 -12.024 11.300 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.060 -11.786 8.960 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.093 -13.912 9.731 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.829 -14.076 8.528 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.428 -13.704 11.512 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.514 -16.041 11.366 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.212 -15.972 10.837 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.907 -16.069 9.630 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.029 -14.107 11.092 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.340 -14.100 9.339 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.602 -12.622 10.295 1.00 0.00 H new