USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 685 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 81 LYS NZ :NH3+ -160:sc= 0.17 (180deg=0) USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0.16 USER MOD Set 2.1: A 10 HIS :FLIP no HE2:sc= -1.52! C(o=-5.1!,f=-1.3!) USER MOD Set 2.2: A 40 SER OG : rot -60:sc= 0 USER MOD Set 2.3: A 45 SER OG : rot 115:sc= 0.239 USER MOD Set 3.1: A 37 LYS NZ :NH3+ -170:sc= -0.0224 (180deg=-0.179) USER MOD Set 3.2: A 49 ASN : amide:sc= -0.488 X(o=-0.51,f=-0.16) USER MOD Set 4.1: A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 51 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 139:sc= -0.0712 (180deg=-1.21) USER MOD Single : A 8 CYS SG : rot -126:sc= -2.25! USER MOD Single : A 9 SER OG : rot 117:sc= 1.42 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc=-0.00504 X(o=-0.005,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00461) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0136 USER MOD Single : A 47 LYS NZ :NH3+ 139:sc= -0.503 (180deg=-2.33!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -116:sc= -0.0146 (180deg=-0.432) USER MOD Single : A 59 MET CE :methyl -156:sc= -0.132 (180deg=-0.738) USER MOD Single : A 60 MET CE :methyl 172:sc= -0.723 (180deg=-0.826) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 77 SER OG : rot -110:sc= -2.88! USER MOD Single : A 82 SER OG : rot 32:sc= -0.448 USER MOD Single : A 87 HIS : no HE2:sc= -6.53! C(o=-6.5!,f=-8.8!) USER MOD Single : A 90 LYS NZ :NH3+ -172:sc= -0.198 (180deg=-0.308) USER MOD ----------------------------------------------------------------- ATOM 47 N LYS A 5 -1.848 7.618 -7.172 1.00 20.41 N ATOM 48 CA LYS A 5 -3.095 8.362 -7.307 1.00 13.03 C ATOM 49 C LYS A 5 -4.114 7.909 -6.266 1.00 75.31 C ATOM 50 O LYS A 5 -3.985 6.830 -5.686 1.00 42.03 O ATOM 51 CB LYS A 5 -3.671 8.182 -8.713 1.00 14.03 C ATOM 52 CG LYS A 5 -3.252 6.885 -9.381 1.00 22.43 C ATOM 53 CD LYS A 5 -3.827 6.767 -10.782 1.00 43.24 C ATOM 54 CE LYS A 5 -2.982 7.524 -11.796 1.00 0.12 C ATOM 55 NZ LYS A 5 -3.506 8.896 -12.043 1.00 20.44 N ATOM 0 HA LYS A 5 -2.879 9.418 -7.143 1.00 13.03 H new ATOM 0 HB2 LYS A 5 -4.759 8.217 -8.658 1.00 14.03 H new ATOM 0 HB3 LYS A 5 -3.356 9.020 -9.335 1.00 14.03 H new ATOM 0 HG2 LYS A 5 -2.164 6.834 -9.428 1.00 22.43 H new ATOM 0 HG3 LYS A 5 -3.585 6.040 -8.778 1.00 22.43 H new ATOM 0 HD2 LYS A 5 -3.884 5.716 -11.066 1.00 43.24 H new ATOM 0 HD3 LYS A 5 -4.845 7.156 -10.793 1.00 43.24 H new ATOM 0 HE2 LYS A 5 -1.955 7.587 -11.437 1.00 0.12 H new ATOM 0 HE3 LYS A 5 -2.959 6.970 -12.734 1.00 0.12 H new ATOM 0 HZ1 LYS A 5 -2.712 9.565 -12.107 1.00 20.44 H new ATOM 0 HZ2 LYS A 5 -4.041 8.908 -12.935 1.00 20.44 H new ATOM 0 HZ3 LYS A 5 -4.131 9.175 -11.260 1.00 20.44 H new ATOM 69 N ILE A 6 -5.127 8.738 -6.036 1.00 61.42 N ATOM 70 CA ILE A 6 -6.169 8.419 -5.067 1.00 43.43 C ATOM 71 C ILE A 6 -7.495 9.064 -5.456 1.00 21.25 C ATOM 72 O ILE A 6 -7.524 10.098 -6.122 1.00 60.43 O ATOM 73 CB ILE A 6 -5.781 8.882 -3.651 1.00 20.52 C ATOM 74 CG1 ILE A 6 -5.537 10.392 -3.633 1.00 63.11 C ATOM 75 CG2 ILE A 6 -4.547 8.134 -3.168 1.00 71.42 C ATOM 76 CD1 ILE A 6 -5.864 11.041 -2.306 1.00 43.31 C ATOM 0 H ILE A 6 -5.248 9.635 -6.507 1.00 61.42 H new ATOM 0 HA ILE A 6 -6.281 7.335 -5.067 1.00 43.43 H new ATOM 0 HB ILE A 6 -6.605 8.659 -2.973 1.00 20.52 H new ATOM 0 HG12 ILE A 6 -4.492 10.586 -3.876 1.00 63.11 H new ATOM 0 HG13 ILE A 6 -6.137 10.858 -4.414 1.00 63.11 H new ATOM 0 HG21 ILE A 6 -4.285 8.473 -2.165 1.00 71.42 H new ATOM 0 HG22 ILE A 6 -4.755 7.064 -3.147 1.00 71.42 H new ATOM 0 HG23 ILE A 6 -3.715 8.329 -3.845 1.00 71.42 H new ATOM 0 HD11 ILE A 6 -5.667 12.111 -2.366 1.00 43.31 H new ATOM 0 HD12 ILE A 6 -6.916 10.878 -2.071 1.00 43.31 H new ATOM 0 HD13 ILE A 6 -5.245 10.602 -1.524 1.00 43.31 H new ATOM 88 N LYS A 7 -8.593 8.447 -5.031 1.00 41.13 N ATOM 89 CA LYS A 7 -9.924 8.961 -5.331 1.00 52.42 C ATOM 90 C LYS A 7 -10.237 10.188 -4.481 1.00 0.13 C ATOM 91 O LYS A 7 -9.826 10.274 -3.323 1.00 51.42 O ATOM 92 CB LYS A 7 -10.977 7.878 -5.089 1.00 55.30 C ATOM 93 CG LYS A 7 -11.822 7.566 -6.313 1.00 0.55 C ATOM 94 CD LYS A 7 -13.153 6.942 -5.929 1.00 1.25 C ATOM 95 CE LYS A 7 -14.324 7.776 -6.425 1.00 4.51 C ATOM 96 NZ LYS A 7 -14.812 7.312 -7.753 1.00 20.33 N ATOM 0 H LYS A 7 -8.587 7.590 -4.478 1.00 41.13 H new ATOM 0 HA LYS A 7 -9.946 9.253 -6.381 1.00 52.42 H new ATOM 0 HB2 LYS A 7 -10.479 6.966 -4.760 1.00 55.30 H new ATOM 0 HB3 LYS A 7 -11.632 8.195 -4.277 1.00 55.30 H new ATOM 0 HG2 LYS A 7 -11.998 8.482 -6.877 1.00 0.55 H new ATOM 0 HG3 LYS A 7 -11.277 6.887 -6.969 1.00 0.55 H new ATOM 0 HD2 LYS A 7 -13.218 5.937 -6.346 1.00 1.25 H new ATOM 0 HD3 LYS A 7 -13.210 6.842 -4.845 1.00 1.25 H new ATOM 0 HE2 LYS A 7 -15.138 7.726 -5.701 1.00 4.51 H new ATOM 0 HE3 LYS A 7 -14.022 8.821 -6.494 1.00 4.51 H new ATOM 0 HZ1 LYS A 7 -15.610 7.906 -8.056 1.00 20.33 H new ATOM 0 HZ2 LYS A 7 -14.043 7.383 -8.450 1.00 20.33 H new ATOM 0 HZ3 LYS A 7 -15.124 6.322 -7.682 1.00 20.33 H new ATOM 110 N CYS A 8 -10.968 11.133 -5.062 1.00 3.34 N ATOM 111 CA CYS A 8 -11.336 12.356 -4.356 1.00 42.41 C ATOM 112 C CYS A 8 -12.270 13.212 -5.205 1.00 41.54 C ATOM 113 O CYS A 8 -12.348 13.044 -6.423 1.00 11.25 O ATOM 114 CB CYS A 8 -10.085 13.155 -3.989 1.00 4.12 C ATOM 115 SG CYS A 8 -9.153 13.766 -5.413 1.00 34.43 S ATOM 0 H CYS A 8 -11.317 11.076 -6.019 1.00 3.34 H new ATOM 0 HA CYS A 8 -11.859 12.075 -3.442 1.00 42.41 H new ATOM 0 HB2 CYS A 8 -10.378 14.003 -3.369 1.00 4.12 H new ATOM 0 HB3 CYS A 8 -9.431 12.528 -3.383 1.00 4.12 H new ATOM 0 HG CYS A 8 -7.915 13.379 -5.320 1.00 34.43 H new ATOM 121 N SER A 9 -12.977 14.132 -4.555 1.00 23.41 N ATOM 122 CA SER A 9 -13.910 15.012 -5.250 1.00 24.43 C ATOM 123 C SER A 9 -13.529 16.475 -5.046 1.00 53.32 C ATOM 124 O SER A 9 -12.441 16.784 -4.560 1.00 3.12 O ATOM 125 CB SER A 9 -15.336 14.770 -4.754 1.00 11.40 C ATOM 126 OG SER A 9 -15.669 13.393 -4.806 1.00 43.53 O ATOM 0 H SER A 9 -12.921 14.287 -3.548 1.00 23.41 H new ATOM 0 HA SER A 9 -13.861 14.787 -6.315 1.00 24.43 H new ATOM 0 HB2 SER A 9 -15.435 15.132 -3.731 1.00 11.40 H new ATOM 0 HB3 SER A 9 -16.038 15.340 -5.363 1.00 11.40 H new ATOM 0 HG SER A 9 -15.842 13.064 -3.899 1.00 43.53 H new ATOM 132 N HIS A 10 -14.434 17.373 -5.424 1.00 33.24 N ATOM 133 CA HIS A 10 -14.195 18.805 -5.283 1.00 20.42 C ATOM 134 C HIS A 10 -15.467 19.598 -5.567 1.00 11.40 C ATOM 135 O HIS A 10 -16.268 19.220 -6.422 1.00 62.31 O ATOM 136 CB HIS A 10 -13.079 19.252 -6.227 1.00 53.32 C ATOM 137 CG HIS A 10 -13.389 19.019 -7.673 1.00 62.05 C ATOM 138 ND1 HIS A 10 -13.521 17.870 -8.376 1.00 21.01 N flip ATOM 139 CD2 HIS A 10 -13.599 20.043 -8.573 1.00 74.04 C flip ATOM 140 CE1 HIS A 10 -13.808 18.216 -9.673 1.00 0.33 C flip ATOM 141 NE2 HIS A 10 -13.850 19.533 -9.766 1.00 74.15 N flip ATOM 0 H HIS A 10 -15.339 17.134 -5.830 1.00 33.24 H new ATOM 0 HA HIS A 10 -13.890 18.999 -4.255 1.00 20.42 H new ATOM 0 HB2 HIS A 10 -12.886 20.314 -6.072 1.00 53.32 H new ATOM 0 HB3 HIS A 10 -12.163 18.721 -5.970 1.00 53.32 H new ATOM 0 HD1 HIS A 10 -13.425 16.923 -8.010 1.00 21.01 H new ATOM 0 HD2 HIS A 10 -13.564 21.097 -8.339 1.00 74.04 H new ATOM 0 HE1 HIS A 10 -13.973 17.524 -10.486 1.00 0.33 H new ATOM 149 N ILE A 11 -15.646 20.699 -4.845 1.00 43.23 N ATOM 150 CA ILE A 11 -16.819 21.545 -5.021 1.00 12.14 C ATOM 151 C ILE A 11 -16.462 23.020 -4.867 1.00 44.53 C ATOM 152 O ILE A 11 -15.913 23.434 -3.846 1.00 15.54 O ATOM 153 CB ILE A 11 -17.926 21.189 -4.011 1.00 3.32 C ATOM 154 CG1 ILE A 11 -18.446 19.774 -4.269 1.00 1.21 C ATOM 155 CG2 ILE A 11 -19.061 22.200 -4.090 1.00 64.43 C ATOM 156 CD1 ILE A 11 -19.380 19.267 -3.192 1.00 4.41 C ATOM 0 H ILE A 11 -14.993 21.026 -4.133 1.00 43.23 H new ATOM 0 HA ILE A 11 -17.188 21.366 -6.031 1.00 12.14 H new ATOM 0 HB ILE A 11 -17.505 21.223 -3.006 1.00 3.32 H new ATOM 0 HG12 ILE A 11 -18.966 19.756 -5.227 1.00 1.21 H new ATOM 0 HG13 ILE A 11 -17.598 19.094 -4.353 1.00 1.21 H new ATOM 0 HG21 ILE A 11 -19.835 21.935 -3.370 1.00 64.43 H new ATOM 0 HG22 ILE A 11 -18.679 23.195 -3.861 1.00 64.43 H new ATOM 0 HG23 ILE A 11 -19.483 22.196 -5.095 1.00 64.43 H new ATOM 0 HD11 ILE A 11 -19.709 18.258 -3.441 1.00 4.41 H new ATOM 0 HD12 ILE A 11 -18.858 19.253 -2.235 1.00 4.41 H new ATOM 0 HD13 ILE A 11 -20.247 19.925 -3.123 1.00 4.41 H new ATOM 168 N LEU A 12 -16.777 23.808 -5.889 1.00 11.51 N ATOM 169 CA LEU A 12 -16.492 25.239 -5.868 1.00 4.13 C ATOM 170 C LEU A 12 -17.749 26.040 -5.548 1.00 11.51 C ATOM 171 O LEU A 12 -18.826 25.761 -6.074 1.00 33.43 O ATOM 172 CB LEU A 12 -15.918 25.684 -7.214 1.00 44.25 C ATOM 173 CG LEU A 12 -14.392 25.682 -7.327 1.00 14.20 C ATOM 174 CD1 LEU A 12 -13.778 26.589 -6.272 1.00 12.51 C ATOM 175 CD2 LEU A 12 -13.850 24.266 -7.198 1.00 2.22 C ATOM 0 H LEU A 12 -17.230 23.481 -6.742 1.00 11.51 H new ATOM 0 HA LEU A 12 -15.756 25.427 -5.086 1.00 4.13 H new ATOM 0 HB2 LEU A 12 -16.321 25.034 -7.991 1.00 44.25 H new ATOM 0 HB3 LEU A 12 -16.277 26.692 -7.424 1.00 44.25 H new ATOM 0 HG LEU A 12 -14.118 26.066 -8.310 1.00 14.20 H new ATOM 0 HD11 LEU A 12 -12.692 26.575 -6.367 1.00 12.51 H new ATOM 0 HD12 LEU A 12 -14.142 27.607 -6.411 1.00 12.51 H new ATOM 0 HD13 LEU A 12 -14.060 26.236 -5.280 1.00 12.51 H new ATOM 0 HD21 LEU A 12 -12.763 24.283 -7.281 1.00 2.22 H new ATOM 0 HD22 LEU A 12 -14.134 23.855 -6.229 1.00 2.22 H new ATOM 0 HD23 LEU A 12 -14.264 23.644 -7.992 1.00 2.22 H new ATOM 187 N VAL A 13 -17.603 27.041 -4.686 1.00 12.34 N ATOM 188 CA VAL A 13 -18.727 27.886 -4.298 1.00 5.50 C ATOM 189 C VAL A 13 -18.300 29.345 -4.176 1.00 23.22 C ATOM 190 O VAL A 13 -17.123 29.673 -4.326 1.00 14.21 O ATOM 191 CB VAL A 13 -19.338 27.429 -2.960 1.00 74.32 C ATOM 192 CG1 VAL A 13 -19.763 25.970 -3.039 1.00 72.14 C ATOM 193 CG2 VAL A 13 -18.353 27.645 -1.822 1.00 61.32 C ATOM 0 H VAL A 13 -16.718 27.287 -4.243 1.00 12.34 H new ATOM 0 HA VAL A 13 -19.478 27.793 -5.082 1.00 5.50 H new ATOM 0 HB VAL A 13 -20.224 28.031 -2.761 1.00 74.32 H new ATOM 0 HG11 VAL A 13 -20.192 25.664 -2.085 1.00 72.14 H new ATOM 0 HG12 VAL A 13 -20.507 25.850 -3.827 1.00 72.14 H new ATOM 0 HG13 VAL A 13 -18.895 25.350 -3.262 1.00 72.14 H new ATOM 0 HG21 VAL A 13 -18.802 27.316 -0.885 1.00 61.32 H new ATOM 0 HG22 VAL A 13 -17.447 27.070 -2.011 1.00 61.32 H new ATOM 0 HG23 VAL A 13 -18.103 28.704 -1.753 1.00 61.32 H new ATOM 203 N SER A 14 -19.265 30.217 -3.903 1.00 42.21 N ATOM 204 CA SER A 14 -18.991 31.642 -3.764 1.00 1.30 C ATOM 205 C SER A 14 -19.257 32.111 -2.337 1.00 32.00 C ATOM 206 O SER A 14 -19.367 33.308 -2.073 1.00 43.13 O ATOM 207 CB SER A 14 -19.846 32.447 -4.745 1.00 21.33 C ATOM 208 OG SER A 14 -21.160 31.919 -4.827 1.00 25.04 O ATOM 0 H SER A 14 -20.244 29.961 -3.774 1.00 42.21 H new ATOM 0 HA SER A 14 -17.938 31.807 -3.992 1.00 1.30 H new ATOM 0 HB2 SER A 14 -19.888 33.488 -4.426 1.00 21.33 H new ATOM 0 HB3 SER A 14 -19.383 32.434 -5.732 1.00 21.33 H new ATOM 0 HG SER A 14 -21.688 32.451 -5.459 1.00 25.04 H new ATOM 214 N LYS A 15 -19.363 31.157 -1.418 1.00 61.24 N ATOM 215 CA LYS A 15 -19.616 31.469 -0.016 1.00 71.21 C ATOM 216 C LYS A 15 -18.954 30.442 0.897 1.00 43.31 C ATOM 217 O LYS A 15 -18.922 29.251 0.587 1.00 12.21 O ATOM 218 CB LYS A 15 -21.122 31.511 0.254 1.00 44.24 C ATOM 219 CG LYS A 15 -21.889 32.391 -0.718 1.00 53.42 C ATOM 220 CD LYS A 15 -23.269 32.739 -0.185 1.00 62.33 C ATOM 221 CE LYS A 15 -24.311 31.723 -0.629 1.00 5.12 C ATOM 222 NZ LYS A 15 -24.782 31.982 -2.018 1.00 10.10 N ATOM 0 H LYS A 15 -19.278 30.161 -1.619 1.00 61.24 H new ATOM 0 HA LYS A 15 -19.187 32.448 0.196 1.00 71.21 H new ATOM 0 HB2 LYS A 15 -21.520 30.497 0.205 1.00 44.24 H new ATOM 0 HB3 LYS A 15 -21.291 31.871 1.269 1.00 44.24 H new ATOM 0 HG2 LYS A 15 -21.327 33.307 -0.902 1.00 53.42 H new ATOM 0 HG3 LYS A 15 -21.986 31.879 -1.675 1.00 53.42 H new ATOM 0 HD2 LYS A 15 -23.240 32.780 0.904 1.00 62.33 H new ATOM 0 HD3 LYS A 15 -23.555 33.731 -0.534 1.00 62.33 H new ATOM 0 HE2 LYS A 15 -23.888 30.720 -0.570 1.00 5.12 H new ATOM 0 HE3 LYS A 15 -25.160 31.752 0.054 1.00 5.12 H new ATOM 0 HZ1 LYS A 15 -25.491 31.269 -2.283 1.00 10.10 H new ATOM 0 HZ2 LYS A 15 -25.208 32.929 -2.069 1.00 10.10 H new ATOM 0 HZ3 LYS A 15 -23.976 31.929 -2.673 1.00 10.10 H new ATOM 236 N GLN A 16 -18.428 30.912 2.024 1.00 72.23 N ATOM 237 CA GLN A 16 -17.768 30.032 2.983 1.00 43.53 C ATOM 238 C GLN A 16 -18.776 29.106 3.655 1.00 2.34 C ATOM 239 O GLN A 16 -18.436 27.997 4.066 1.00 63.03 O ATOM 240 CB GLN A 16 -17.031 30.858 4.039 1.00 11.20 C ATOM 241 CG GLN A 16 -17.899 31.918 4.697 1.00 50.13 C ATOM 242 CD GLN A 16 -17.596 32.087 6.172 1.00 1.43 C ATOM 243 OE1 GLN A 16 -17.045 33.106 6.592 1.00 1.10 O ATOM 244 NE2 GLN A 16 -17.955 31.088 6.970 1.00 65.35 N ATOM 0 H GLN A 16 -18.446 31.895 2.295 1.00 72.23 H new ATOM 0 HA GLN A 16 -17.046 29.420 2.442 1.00 43.53 H new ATOM 0 HB2 GLN A 16 -16.645 30.188 4.807 1.00 11.20 H new ATOM 0 HB3 GLN A 16 -16.171 31.341 3.575 1.00 11.20 H new ATOM 0 HG2 GLN A 16 -17.751 32.871 4.188 1.00 50.13 H new ATOM 0 HG3 GLN A 16 -18.948 31.651 4.574 1.00 50.13 H new ATOM 0 HE21 GLN A 16 -18.409 30.262 6.580 1.00 65.35 H new ATOM 0 HE22 GLN A 16 -17.777 31.147 7.973 1.00 65.35 H new ATOM 253 N SER A 17 -20.016 29.570 3.765 1.00 33.23 N ATOM 254 CA SER A 17 -21.073 28.783 4.392 1.00 13.24 C ATOM 255 C SER A 17 -21.563 27.685 3.453 1.00 51.42 C ATOM 256 O SER A 17 -22.106 26.673 3.896 1.00 43.55 O ATOM 257 CB SER A 17 -22.240 29.687 4.793 1.00 72.22 C ATOM 258 OG SER A 17 -23.040 29.075 5.789 1.00 33.31 O ATOM 0 H SER A 17 -20.314 30.486 3.429 1.00 33.23 H new ATOM 0 HA SER A 17 -20.662 28.314 5.286 1.00 13.24 H new ATOM 0 HB2 SER A 17 -21.857 30.638 5.163 1.00 72.22 H new ATOM 0 HB3 SER A 17 -22.850 29.908 3.917 1.00 72.22 H new ATOM 0 HG SER A 17 -23.778 29.673 6.029 1.00 33.31 H new ATOM 264 N GLU A 18 -21.368 27.895 2.155 1.00 31.11 N ATOM 265 CA GLU A 18 -21.792 26.924 1.153 1.00 5.41 C ATOM 266 C GLU A 18 -20.752 25.818 0.993 1.00 1.50 C ATOM 267 O GLU A 18 -21.093 24.664 0.742 1.00 65.35 O ATOM 268 CB GLU A 18 -22.028 27.615 -0.192 1.00 14.43 C ATOM 269 CG GLU A 18 -23.437 28.158 -0.357 1.00 13.51 C ATOM 270 CD GLU A 18 -24.451 27.071 -0.655 1.00 24.14 C ATOM 271 OE1 GLU A 18 -24.572 26.132 0.160 1.00 72.12 O ATOM 272 OE2 GLU A 18 -25.123 27.158 -1.704 1.00 44.11 O ATOM 0 H GLU A 18 -20.920 28.728 1.773 1.00 31.11 H new ATOM 0 HA GLU A 18 -22.726 26.475 1.492 1.00 5.41 H new ATOM 0 HB2 GLU A 18 -21.317 28.434 -0.300 1.00 14.43 H new ATOM 0 HB3 GLU A 18 -21.824 26.907 -0.996 1.00 14.43 H new ATOM 0 HG2 GLU A 18 -23.729 28.682 0.553 1.00 13.51 H new ATOM 0 HG3 GLU A 18 -23.448 28.890 -1.164 1.00 13.51 H new ATOM 279 N ALA A 19 -19.482 26.183 1.140 1.00 22.11 N ATOM 280 CA ALA A 19 -18.393 25.224 1.014 1.00 65.21 C ATOM 281 C ALA A 19 -18.194 24.445 2.310 1.00 24.43 C ATOM 282 O ALA A 19 -17.814 23.273 2.290 1.00 62.13 O ATOM 283 CB ALA A 19 -17.106 25.935 0.621 1.00 71.01 C ATOM 0 H ALA A 19 -19.183 27.136 1.346 1.00 22.11 H new ATOM 0 HA ALA A 19 -18.657 24.514 0.231 1.00 65.21 H new ATOM 0 HB1 ALA A 19 -16.301 25.206 0.530 1.00 71.01 H new ATOM 0 HB2 ALA A 19 -17.247 26.441 -0.334 1.00 71.01 H new ATOM 0 HB3 ALA A 19 -16.847 26.668 1.385 1.00 71.01 H new ATOM 289 N LEU A 20 -18.452 25.102 3.435 1.00 22.33 N ATOM 290 CA LEU A 20 -18.300 24.470 4.742 1.00 53.44 C ATOM 291 C LEU A 20 -19.563 23.707 5.127 1.00 34.32 C ATOM 292 O LEU A 20 -19.624 23.082 6.185 1.00 11.14 O ATOM 293 CB LEU A 20 -17.983 25.523 5.805 1.00 31.12 C ATOM 294 CG LEU A 20 -17.201 25.032 7.024 1.00 32.11 C ATOM 295 CD1 LEU A 20 -15.710 25.001 6.725 1.00 34.30 C ATOM 296 CD2 LEU A 20 -17.488 25.912 8.231 1.00 23.01 C ATOM 0 H LEU A 20 -18.767 26.071 3.469 1.00 22.33 H new ATOM 0 HA LEU A 20 -17.473 23.762 4.683 1.00 53.44 H new ATOM 0 HB2 LEU A 20 -17.416 26.326 5.334 1.00 31.12 H new ATOM 0 HB3 LEU A 20 -18.922 25.955 6.151 1.00 31.12 H new ATOM 0 HG LEU A 20 -17.524 24.017 7.255 1.00 32.11 H new ATOM 0 HD11 LEU A 20 -15.170 24.649 7.604 1.00 34.30 H new ATOM 0 HD12 LEU A 20 -15.520 24.328 5.889 1.00 34.30 H new ATOM 0 HD13 LEU A 20 -15.370 26.004 6.467 1.00 34.30 H new ATOM 0 HD21 LEU A 20 -16.923 25.548 9.089 1.00 23.01 H new ATOM 0 HD22 LEU A 20 -17.193 26.938 8.011 1.00 23.01 H new ATOM 0 HD23 LEU A 20 -18.554 25.881 8.458 1.00 23.01 H new ATOM 308 N ALA A 21 -20.569 23.761 4.260 1.00 74.03 N ATOM 309 CA ALA A 21 -21.829 23.071 4.507 1.00 0.31 C ATOM 310 C ALA A 21 -21.757 21.617 4.054 1.00 74.31 C ATOM 311 O ALA A 21 -22.574 20.789 4.460 1.00 3.23 O ATOM 312 CB ALA A 21 -22.971 23.789 3.803 1.00 0.51 C ATOM 0 H ALA A 21 -20.536 24.276 3.380 1.00 74.03 H new ATOM 0 HA ALA A 21 -22.015 23.081 5.581 1.00 0.31 H new ATOM 0 HB1 ALA A 21 -23.906 23.263 3.996 1.00 0.51 H new ATOM 0 HB2 ALA A 21 -23.045 24.810 4.178 1.00 0.51 H new ATOM 0 HB3 ALA A 21 -22.781 23.810 2.730 1.00 0.51 H new ATOM 318 N ILE A 22 -20.776 21.312 3.210 1.00 54.42 N ATOM 319 CA ILE A 22 -20.599 19.958 2.703 1.00 21.11 C ATOM 320 C ILE A 22 -19.994 19.047 3.766 1.00 44.41 C ATOM 321 O ILE A 22 -20.104 17.825 3.687 1.00 75.02 O ATOM 322 CB ILE A 22 -19.698 19.939 1.453 1.00 21.14 C ATOM 323 CG1 ILE A 22 -20.304 20.805 0.347 1.00 31.01 C ATOM 324 CG2 ILE A 22 -19.499 18.511 0.967 1.00 61.13 C ATOM 325 CD1 ILE A 22 -19.570 22.109 0.130 1.00 0.30 C ATOM 0 H ILE A 22 -20.092 21.985 2.864 1.00 54.42 H new ATOM 0 HA ILE A 22 -21.589 19.590 2.434 1.00 21.11 H new ATOM 0 HB ILE A 22 -18.724 20.351 1.718 1.00 21.14 H new ATOM 0 HG12 ILE A 22 -20.307 20.240 -0.585 1.00 31.01 H new ATOM 0 HG13 ILE A 22 -21.344 21.019 0.593 1.00 31.01 H new ATOM 0 HG21 ILE A 22 -18.861 18.513 0.084 1.00 61.13 H new ATOM 0 HG22 ILE A 22 -19.028 17.921 1.754 1.00 61.13 H new ATOM 0 HG23 ILE A 22 -20.465 18.074 0.715 1.00 61.13 H new ATOM 0 HD11 ILE A 22 -20.055 22.671 -0.668 1.00 0.30 H new ATOM 0 HD12 ILE A 22 -19.589 22.695 1.049 1.00 0.30 H new ATOM 0 HD13 ILE A 22 -18.536 21.903 -0.148 1.00 0.30 H new ATOM 337 N MET A 23 -19.354 19.653 4.762 1.00 15.50 N ATOM 338 CA MET A 23 -18.734 18.897 5.843 1.00 32.04 C ATOM 339 C MET A 23 -19.660 18.820 7.053 1.00 64.42 C ATOM 340 O MET A 23 -19.353 18.150 8.038 1.00 32.34 O ATOM 341 CB MET A 23 -17.404 19.538 6.244 1.00 33.12 C ATOM 342 CG MET A 23 -17.542 20.972 6.727 1.00 44.21 C ATOM 343 SD MET A 23 -15.980 21.663 7.306 1.00 42.54 S ATOM 344 CE MET A 23 -16.304 21.810 9.061 1.00 14.22 C ATOM 0 H MET A 23 -19.252 20.665 4.842 1.00 15.50 H new ATOM 0 HA MET A 23 -18.548 17.884 5.485 1.00 32.04 H new ATOM 0 HB2 MET A 23 -16.945 18.941 7.032 1.00 33.12 H new ATOM 0 HB3 MET A 23 -16.727 19.514 5.390 1.00 33.12 H new ATOM 0 HG2 MET A 23 -17.929 21.589 5.916 1.00 44.21 H new ATOM 0 HG3 MET A 23 -18.273 21.011 7.534 1.00 44.21 H new ATOM 0 HE1 MET A 23 -15.428 22.225 9.559 1.00 14.22 H new ATOM 0 HE2 MET A 23 -17.157 22.469 9.219 1.00 14.22 H new ATOM 0 HE3 MET A 23 -16.524 20.826 9.474 1.00 14.22 H new ATOM 354 N GLU A 24 -20.793 19.510 6.971 1.00 62.25 N ATOM 355 CA GLU A 24 -21.762 19.518 8.060 1.00 0.32 C ATOM 356 C GLU A 24 -23.071 18.862 7.629 1.00 34.34 C ATOM 357 O GLU A 24 -23.783 18.277 8.445 1.00 15.24 O ATOM 358 CB GLU A 24 -22.027 20.952 8.525 1.00 1.22 C ATOM 359 CG GLU A 24 -22.992 21.712 7.633 1.00 14.51 C ATOM 360 CD GLU A 24 -22.974 23.206 7.895 1.00 52.55 C ATOM 361 OE1 GLU A 24 -21.877 23.753 8.137 1.00 71.03 O ATOM 362 OE2 GLU A 24 -24.056 23.829 7.857 1.00 21.40 O ATOM 0 H GLU A 24 -21.062 20.070 6.162 1.00 62.25 H new ATOM 0 HA GLU A 24 -21.344 18.946 8.888 1.00 0.32 H new ATOM 0 HB2 GLU A 24 -22.425 20.928 9.539 1.00 1.22 H new ATOM 0 HB3 GLU A 24 -21.081 21.492 8.566 1.00 1.22 H new ATOM 0 HG2 GLU A 24 -22.739 21.527 6.589 1.00 14.51 H new ATOM 0 HG3 GLU A 24 -24.002 21.332 7.789 1.00 14.51 H new ATOM 369 N LYS A 25 -23.381 18.964 6.342 1.00 21.40 N ATOM 370 CA LYS A 25 -24.603 18.380 5.800 1.00 11.50 C ATOM 371 C LYS A 25 -24.497 16.861 5.734 1.00 32.13 C ATOM 372 O LYS A 25 -25.358 16.145 6.249 1.00 4.34 O ATOM 373 CB LYS A 25 -24.887 18.944 4.406 1.00 41.31 C ATOM 374 CG LYS A 25 -25.588 20.292 4.425 1.00 21.30 C ATOM 375 CD LYS A 25 -26.360 20.537 3.141 1.00 74.34 C ATOM 376 CE LYS A 25 -27.424 21.609 3.325 1.00 64.04 C ATOM 377 NZ LYS A 25 -26.882 22.974 3.079 1.00 3.13 N ATOM 0 H LYS A 25 -22.803 19.446 5.654 1.00 21.40 H new ATOM 0 HA LYS A 25 -25.427 18.640 6.465 1.00 11.50 H new ATOM 0 HB2 LYS A 25 -23.946 19.041 3.864 1.00 41.31 H new ATOM 0 HB3 LYS A 25 -25.501 18.233 3.854 1.00 41.31 H new ATOM 0 HG2 LYS A 25 -26.270 20.337 5.274 1.00 21.30 H new ATOM 0 HG3 LYS A 25 -24.852 21.084 4.565 1.00 21.30 H new ATOM 0 HD2 LYS A 25 -25.670 20.839 2.353 1.00 74.34 H new ATOM 0 HD3 LYS A 25 -26.830 19.609 2.815 1.00 74.34 H new ATOM 0 HE2 LYS A 25 -28.253 21.419 2.644 1.00 64.04 H new ATOM 0 HE3 LYS A 25 -27.824 21.554 4.337 1.00 64.04 H new ATOM 0 HZ1 LYS A 25 -27.637 23.677 3.214 1.00 3.13 H new ATOM 0 HZ2 LYS A 25 -26.107 23.165 3.746 1.00 3.13 H new ATOM 0 HZ3 LYS A 25 -26.523 23.035 2.105 1.00 3.13 H new ATOM 465 N LYS A 31 -25.282 12.884 0.497 1.00 24.35 N ATOM 466 CA LYS A 31 -24.324 12.470 -0.521 1.00 62.41 C ATOM 467 C LYS A 31 -23.521 13.662 -1.029 1.00 23.22 C ATOM 468 O LYS A 31 -24.083 14.698 -1.381 1.00 54.24 O ATOM 469 CB LYS A 31 -25.049 11.795 -1.689 1.00 13.32 C ATOM 470 CG LYS A 31 -24.198 10.777 -2.427 1.00 22.33 C ATOM 471 CD LYS A 31 -25.055 9.784 -3.193 1.00 51.20 C ATOM 472 CE LYS A 31 -24.316 9.222 -4.397 1.00 63.02 C ATOM 473 NZ LYS A 31 -23.119 8.433 -3.995 1.00 0.13 N ATOM 0 HA LYS A 31 -23.635 11.757 -0.068 1.00 62.41 H new ATOM 0 HB2 LYS A 31 -25.946 11.302 -1.313 1.00 13.32 H new ATOM 0 HB3 LYS A 31 -25.377 12.560 -2.393 1.00 13.32 H new ATOM 0 HG2 LYS A 31 -23.531 11.292 -3.118 1.00 22.33 H new ATOM 0 HG3 LYS A 31 -23.569 10.243 -1.715 1.00 22.33 H new ATOM 0 HD2 LYS A 31 -25.348 8.969 -2.532 1.00 51.20 H new ATOM 0 HD3 LYS A 31 -25.972 10.272 -3.523 1.00 51.20 H new ATOM 0 HE2 LYS A 31 -24.991 8.590 -4.974 1.00 63.02 H new ATOM 0 HE3 LYS A 31 -24.010 10.040 -5.049 1.00 63.02 H new ATOM 0 HZ1 LYS A 31 -22.672 8.025 -4.841 1.00 0.13 H new ATOM 0 HZ2 LYS A 31 -22.440 9.054 -3.510 1.00 0.13 H new ATOM 0 HZ3 LYS A 31 -23.407 7.668 -3.353 1.00 0.13 H new ATOM 487 N PHE A 32 -22.201 13.508 -1.065 1.00 51.12 N ATOM 488 CA PHE A 32 -21.320 14.573 -1.531 1.00 4.33 C ATOM 489 C PHE A 32 -21.766 15.091 -2.895 1.00 63.31 C ATOM 490 O PHE A 32 -21.961 16.291 -3.082 1.00 64.34 O ATOM 491 CB PHE A 32 -19.876 14.071 -1.610 1.00 51.30 C ATOM 492 CG PHE A 32 -18.894 15.132 -2.017 1.00 40.24 C ATOM 493 CD1 PHE A 32 -18.746 15.482 -3.349 1.00 3.40 C ATOM 494 CD2 PHE A 32 -18.119 15.779 -1.068 1.00 41.13 C ATOM 495 CE1 PHE A 32 -17.843 16.459 -3.728 1.00 72.31 C ATOM 496 CE2 PHE A 32 -17.215 16.755 -1.440 1.00 52.33 C ATOM 497 CZ PHE A 32 -17.076 17.095 -2.772 1.00 73.33 C ATOM 0 H PHE A 32 -21.718 12.657 -0.777 1.00 51.12 H new ATOM 0 HA PHE A 32 -21.374 15.394 -0.816 1.00 4.33 H new ATOM 0 HB2 PHE A 32 -19.585 13.671 -0.639 1.00 51.30 H new ATOM 0 HB3 PHE A 32 -19.825 13.247 -2.322 1.00 51.30 H new ATOM 0 HD1 PHE A 32 -19.343 14.986 -4.100 1.00 3.40 H new ATOM 0 HD2 PHE A 32 -18.223 15.517 -0.025 1.00 41.13 H new ATOM 0 HE1 PHE A 32 -17.738 16.724 -4.770 1.00 72.31 H new ATOM 0 HE2 PHE A 32 -16.617 17.252 -0.690 1.00 52.33 H new ATOM 0 HZ PHE A 32 -16.369 17.857 -3.065 1.00 73.33 H new ATOM 507 N GLY A 33 -21.924 14.175 -3.846 1.00 33.13 N ATOM 508 CA GLY A 33 -22.344 14.557 -5.181 1.00 73.01 C ATOM 509 C GLY A 33 -23.616 15.382 -5.174 1.00 60.14 C ATOM 510 O GLY A 33 -23.765 16.314 -5.966 1.00 0.33 O ATOM 0 H GLY A 33 -21.769 13.175 -3.715 1.00 33.13 H new ATOM 0 HA2 GLY A 33 -21.548 15.127 -5.660 1.00 73.01 H new ATOM 0 HA3 GLY A 33 -22.499 13.660 -5.780 1.00 73.01 H new ATOM 514 N LYS A 34 -24.538 15.040 -4.280 1.00 64.41 N ATOM 515 CA LYS A 34 -25.803 15.754 -4.173 1.00 74.43 C ATOM 516 C LYS A 34 -25.571 17.251 -3.996 1.00 62.45 C ATOM 517 O LYS A 34 -26.409 18.070 -4.378 1.00 62.25 O ATOM 518 CB LYS A 34 -26.620 15.212 -2.997 1.00 55.33 C ATOM 519 CG LYS A 34 -28.089 15.597 -3.049 1.00 41.12 C ATOM 520 CD LYS A 34 -28.903 14.826 -2.024 1.00 34.41 C ATOM 521 CE LYS A 34 -30.334 15.336 -1.950 1.00 52.42 C ATOM 522 NZ LYS A 34 -31.206 14.697 -2.973 1.00 40.11 N ATOM 0 H LYS A 34 -24.431 14.271 -3.618 1.00 64.41 H new ATOM 0 HA LYS A 34 -26.358 15.597 -5.098 1.00 74.43 H new ATOM 0 HB2 LYS A 34 -26.538 14.125 -2.979 1.00 55.33 H new ATOM 0 HB3 LYS A 34 -26.189 15.580 -2.066 1.00 55.33 H new ATOM 0 HG2 LYS A 34 -28.193 16.667 -2.867 1.00 41.12 H new ATOM 0 HG3 LYS A 34 -28.482 15.404 -4.047 1.00 41.12 H new ATOM 0 HD2 LYS A 34 -28.906 13.767 -2.282 1.00 34.41 H new ATOM 0 HD3 LYS A 34 -28.433 14.914 -1.044 1.00 34.41 H new ATOM 0 HE2 LYS A 34 -30.738 15.141 -0.956 1.00 52.42 H new ATOM 0 HE3 LYS A 34 -30.342 16.417 -2.091 1.00 52.42 H new ATOM 0 HZ1 LYS A 34 -32.172 15.072 -2.889 1.00 40.11 H new ATOM 0 HZ2 LYS A 34 -30.836 14.904 -3.923 1.00 40.11 H new ATOM 0 HZ3 LYS A 34 -31.220 13.668 -2.824 1.00 40.11 H new ATOM 536 N LEU A 35 -24.427 17.603 -3.419 1.00 34.30 N ATOM 537 CA LEU A 35 -24.083 19.003 -3.193 1.00 62.44 C ATOM 538 C LEU A 35 -23.142 19.514 -4.280 1.00 73.12 C ATOM 539 O LEU A 35 -23.052 20.717 -4.521 1.00 75.14 O ATOM 540 CB LEU A 35 -23.433 19.174 -1.819 1.00 53.12 C ATOM 541 CG LEU A 35 -24.009 18.315 -0.693 1.00 14.10 C ATOM 542 CD1 LEU A 35 -23.257 18.562 0.605 1.00 3.50 C ATOM 543 CD2 LEU A 35 -25.493 18.597 -0.513 1.00 35.21 C ATOM 0 H LEU A 35 -23.722 16.939 -3.099 1.00 34.30 H new ATOM 0 HA LEU A 35 -25.002 19.588 -3.228 1.00 62.44 H new ATOM 0 HB2 LEU A 35 -22.370 18.951 -1.912 1.00 53.12 H new ATOM 0 HB3 LEU A 35 -23.515 20.221 -1.528 1.00 53.12 H new ATOM 0 HG LEU A 35 -23.889 17.266 -0.965 1.00 14.10 H new ATOM 0 HD11 LEU A 35 -23.681 17.942 1.395 1.00 3.50 H new ATOM 0 HD12 LEU A 35 -22.205 18.309 0.470 1.00 3.50 H new ATOM 0 HD13 LEU A 35 -23.345 19.613 0.882 1.00 3.50 H new ATOM 0 HD21 LEU A 35 -25.886 17.977 0.293 1.00 35.21 H new ATOM 0 HD22 LEU A 35 -25.636 19.649 -0.264 1.00 35.21 H new ATOM 0 HD23 LEU A 35 -26.022 18.368 -1.438 1.00 35.21 H new ATOM 555 N ALA A 36 -22.445 18.590 -4.934 1.00 53.24 N ATOM 556 CA ALA A 36 -21.515 18.946 -5.999 1.00 11.23 C ATOM 557 C ALA A 36 -22.255 19.232 -7.301 1.00 62.41 C ATOM 558 O ALA A 36 -21.731 19.903 -8.190 1.00 43.44 O ATOM 559 CB ALA A 36 -20.495 17.836 -6.201 1.00 44.44 C ATOM 0 H ALA A 36 -22.507 17.590 -4.745 1.00 53.24 H new ATOM 0 HA ALA A 36 -20.992 19.855 -5.703 1.00 11.23 H new ATOM 0 HB1 ALA A 36 -19.807 18.115 -6.999 1.00 44.44 H new ATOM 0 HB2 ALA A 36 -19.937 17.683 -5.278 1.00 44.44 H new ATOM 0 HB3 ALA A 36 -21.009 16.914 -6.471 1.00 44.44 H new ATOM 565 N LYS A 37 -23.475 18.717 -7.409 1.00 43.11 N ATOM 566 CA LYS A 37 -24.288 18.917 -8.602 1.00 51.14 C ATOM 567 C LYS A 37 -25.032 20.246 -8.538 1.00 41.11 C ATOM 568 O LYS A 37 -25.802 20.580 -9.438 1.00 14.42 O ATOM 569 CB LYS A 37 -25.286 17.769 -8.762 1.00 32.40 C ATOM 570 CG LYS A 37 -26.215 17.599 -7.572 1.00 64.34 C ATOM 571 CD LYS A 37 -27.589 17.114 -8.001 1.00 21.03 C ATOM 572 CE LYS A 37 -27.611 15.606 -8.198 1.00 34.00 C ATOM 573 NZ LYS A 37 -27.159 15.218 -9.563 1.00 52.25 N ATOM 0 H LYS A 37 -23.923 18.157 -6.683 1.00 43.11 H new ATOM 0 HA LYS A 37 -23.623 18.935 -9.465 1.00 51.14 H new ATOM 0 HB2 LYS A 37 -25.884 17.941 -9.657 1.00 32.40 H new ATOM 0 HB3 LYS A 37 -24.737 16.841 -8.919 1.00 32.40 H new ATOM 0 HG2 LYS A 37 -25.781 16.888 -6.869 1.00 64.34 H new ATOM 0 HG3 LYS A 37 -26.311 18.549 -7.046 1.00 64.34 H new ATOM 0 HD2 LYS A 37 -28.326 17.395 -7.249 1.00 21.03 H new ATOM 0 HD3 LYS A 37 -27.877 17.608 -8.929 1.00 21.03 H new ATOM 0 HE2 LYS A 37 -26.969 15.133 -7.455 1.00 34.00 H new ATOM 0 HE3 LYS A 37 -28.621 15.233 -8.030 1.00 34.00 H new ATOM 0 HZ1 LYS A 37 -27.347 14.207 -9.717 1.00 52.25 H new ATOM 0 HZ2 LYS A 37 -27.675 15.778 -10.272 1.00 52.25 H new ATOM 0 HZ3 LYS A 37 -26.139 15.398 -9.655 1.00 52.25 H new ATOM 587 N GLU A 38 -24.796 21.001 -7.470 1.00 4.14 N ATOM 588 CA GLU A 38 -25.444 22.294 -7.289 1.00 42.55 C ATOM 589 C GLU A 38 -24.445 23.341 -6.807 1.00 1.53 C ATOM 590 O GLU A 38 -24.229 24.360 -7.466 1.00 11.51 O ATOM 591 CB GLU A 38 -26.599 22.177 -6.291 1.00 43.24 C ATOM 592 CG GLU A 38 -27.665 21.178 -6.708 1.00 44.15 C ATOM 593 CD GLU A 38 -28.810 21.827 -7.461 1.00 41.53 C ATOM 594 OE1 GLU A 38 -28.601 22.239 -8.621 1.00 4.10 O ATOM 595 OE2 GLU A 38 -29.915 21.924 -6.889 1.00 15.54 O ATOM 0 H GLU A 38 -24.160 20.739 -6.717 1.00 4.14 H new ATOM 0 HA GLU A 38 -25.839 22.611 -8.254 1.00 42.55 H new ATOM 0 HB2 GLU A 38 -26.200 21.886 -5.319 1.00 43.24 H new ATOM 0 HB3 GLU A 38 -27.060 23.157 -6.166 1.00 43.24 H new ATOM 0 HG2 GLU A 38 -27.212 20.410 -7.335 1.00 44.15 H new ATOM 0 HG3 GLU A 38 -28.055 20.678 -5.822 1.00 44.15 H new ATOM 602 N LEU A 39 -23.839 23.085 -5.653 1.00 23.30 N ATOM 603 CA LEU A 39 -22.862 24.005 -5.081 1.00 23.24 C ATOM 604 C LEU A 39 -21.720 24.265 -6.059 1.00 1.42 C ATOM 605 O LEU A 39 -21.378 25.414 -6.337 1.00 54.34 O ATOM 606 CB LEU A 39 -22.307 23.441 -3.771 1.00 40.15 C ATOM 607 CG LEU A 39 -23.341 23.087 -2.702 1.00 71.11 C ATOM 608 CD1 LEU A 39 -22.653 22.655 -1.416 1.00 44.41 C ATOM 609 CD2 LEU A 39 -24.266 24.267 -2.444 1.00 13.31 C ATOM 0 H LEU A 39 -24.007 22.248 -5.095 1.00 23.30 H new ATOM 0 HA LEU A 39 -23.365 24.950 -4.879 1.00 23.24 H new ATOM 0 HB2 LEU A 39 -21.729 22.545 -4.000 1.00 40.15 H new ATOM 0 HB3 LEU A 39 -21.613 24.169 -3.350 1.00 40.15 H new ATOM 0 HG LEU A 39 -23.941 22.253 -3.066 1.00 71.11 H new ATOM 0 HD11 LEU A 39 -23.405 22.407 -0.667 1.00 44.41 H new ATOM 0 HD12 LEU A 39 -22.033 21.780 -1.611 1.00 44.41 H new ATOM 0 HD13 LEU A 39 -22.028 23.468 -1.047 1.00 44.41 H new ATOM 0 HD21 LEU A 39 -24.996 23.997 -1.680 1.00 13.31 H new ATOM 0 HD22 LEU A 39 -23.681 25.120 -2.101 1.00 13.31 H new ATOM 0 HD23 LEU A 39 -24.786 24.530 -3.365 1.00 13.31 H new ATOM 621 N SER A 40 -21.136 23.190 -6.579 1.00 60.12 N ATOM 622 CA SER A 40 -20.032 23.302 -7.525 1.00 15.41 C ATOM 623 C SER A 40 -20.387 24.255 -8.662 1.00 42.43 C ATOM 624 O SER A 40 -21.147 23.905 -9.566 1.00 51.41 O ATOM 625 CB SER A 40 -19.676 21.926 -8.091 1.00 3.33 C ATOM 626 OG SER A 40 -18.343 21.903 -8.573 1.00 60.21 O ATOM 0 H SER A 40 -21.409 22.232 -6.361 1.00 60.12 H new ATOM 0 HA SER A 40 -19.169 23.703 -6.993 1.00 15.41 H new ATOM 0 HB2 SER A 40 -19.800 21.168 -7.318 1.00 3.33 H new ATOM 0 HB3 SER A 40 -20.363 21.673 -8.899 1.00 3.33 H new ATOM 0 HG SER A 40 -18.241 22.569 -9.284 1.00 60.21 H new ATOM 632 N ILE A 41 -19.831 25.461 -8.611 1.00 51.31 N ATOM 633 CA ILE A 41 -20.087 26.464 -9.636 1.00 11.42 C ATOM 634 C ILE A 41 -19.301 26.163 -10.908 1.00 12.51 C ATOM 635 O ILE A 41 -19.658 26.622 -11.994 1.00 10.33 O ATOM 636 CB ILE A 41 -19.723 27.878 -9.144 1.00 44.33 C ATOM 637 CG1 ILE A 41 -18.277 27.910 -8.642 1.00 12.50 C ATOM 638 CG2 ILE A 41 -20.681 28.320 -8.048 1.00 45.31 C ATOM 639 CD1 ILE A 41 -17.536 29.176 -9.014 1.00 74.05 C ATOM 0 H ILE A 41 -19.200 25.767 -7.870 1.00 51.31 H new ATOM 0 HA ILE A 41 -21.154 26.427 -9.854 1.00 11.42 H new ATOM 0 HB ILE A 41 -19.813 28.573 -9.979 1.00 44.33 H new ATOM 0 HG12 ILE A 41 -18.275 27.803 -7.557 1.00 12.50 H new ATOM 0 HG13 ILE A 41 -17.741 27.052 -9.048 1.00 12.50 H new ATOM 0 HG21 ILE A 41 -20.411 29.321 -7.711 1.00 45.31 H new ATOM 0 HG22 ILE A 41 -21.699 28.331 -8.437 1.00 45.31 H new ATOM 0 HG23 ILE A 41 -20.620 27.626 -7.210 1.00 45.31 H new ATOM 0 HD11 ILE A 41 -16.518 29.129 -8.626 1.00 74.05 H new ATOM 0 HD12 ILE A 41 -17.506 29.275 -10.099 1.00 74.05 H new ATOM 0 HD13 ILE A 41 -18.049 30.037 -8.585 1.00 74.05 H new ATOM 651 N ASP A 42 -18.232 25.388 -10.767 1.00 50.34 N ATOM 652 CA ASP A 42 -17.397 25.022 -11.905 1.00 43.53 C ATOM 653 C ASP A 42 -18.194 24.219 -12.928 1.00 23.23 C ATOM 654 O ASP A 42 -18.611 23.092 -12.658 1.00 31.20 O ATOM 655 CB ASP A 42 -16.184 24.216 -11.438 1.00 13.24 C ATOM 656 CG ASP A 42 -15.359 23.687 -12.594 1.00 73.51 C ATOM 657 OD1 ASP A 42 -15.463 24.251 -13.704 1.00 21.20 O ATOM 658 OD2 ASP A 42 -14.611 22.709 -12.389 1.00 72.42 O ATOM 0 H ASP A 42 -17.923 25.001 -9.875 1.00 50.34 H new ATOM 0 HA ASP A 42 -17.051 25.940 -12.380 1.00 43.53 H new ATOM 0 HB2 ASP A 42 -15.556 24.844 -10.805 1.00 13.24 H new ATOM 0 HB3 ASP A 42 -16.521 23.381 -10.824 1.00 13.24 H new ATOM 663 N SER A 43 -18.404 24.805 -14.101 1.00 45.45 N ATOM 664 CA SER A 43 -19.155 24.146 -15.163 1.00 62.15 C ATOM 665 C SER A 43 -18.609 22.745 -15.425 1.00 53.15 C ATOM 666 O SER A 43 -19.366 21.811 -15.688 1.00 63.25 O ATOM 667 CB SER A 43 -19.099 24.975 -16.447 1.00 33.40 C ATOM 668 OG SER A 43 -17.844 25.616 -16.588 1.00 22.33 O ATOM 0 H SER A 43 -18.064 25.736 -14.341 1.00 45.45 H new ATOM 0 HA SER A 43 -20.193 24.059 -14.840 1.00 62.15 H new ATOM 0 HB2 SER A 43 -19.280 24.331 -17.307 1.00 33.40 H new ATOM 0 HB3 SER A 43 -19.893 25.722 -16.436 1.00 33.40 H new ATOM 0 HG SER A 43 -17.834 26.138 -17.418 1.00 22.33 H new ATOM 674 N GLY A 44 -17.289 22.607 -15.350 1.00 51.01 N ATOM 675 CA GLY A 44 -16.663 21.318 -15.582 1.00 15.20 C ATOM 676 C GLY A 44 -16.484 20.522 -14.303 1.00 52.45 C ATOM 677 O GLY A 44 -15.422 19.947 -14.067 1.00 1.31 O ATOM 0 H GLY A 44 -16.642 23.365 -15.133 1.00 51.01 H new ATOM 0 HA2 GLY A 44 -17.270 20.744 -16.282 1.00 15.20 H new ATOM 0 HA3 GLY A 44 -15.691 21.469 -16.052 1.00 15.20 H new ATOM 681 N SER A 45 -17.525 20.491 -13.478 1.00 54.02 N ATOM 682 CA SER A 45 -17.476 19.765 -12.215 1.00 11.33 C ATOM 683 C SER A 45 -18.882 19.414 -11.734 1.00 63.13 C ATOM 684 O SER A 45 -19.127 18.308 -11.254 1.00 3.40 O ATOM 685 CB SER A 45 -16.755 20.596 -11.151 1.00 40.12 C ATOM 686 OG SER A 45 -16.718 19.915 -9.909 1.00 75.33 O ATOM 0 H SER A 45 -18.412 20.960 -13.661 1.00 54.02 H new ATOM 0 HA SER A 45 -16.924 18.839 -12.379 1.00 11.33 H new ATOM 0 HB2 SER A 45 -15.739 20.812 -11.481 1.00 40.12 H new ATOM 0 HB3 SER A 45 -17.261 21.554 -11.029 1.00 40.12 H new ATOM 0 HG SER A 45 -15.789 19.707 -9.677 1.00 75.33 H new ATOM 692 N ALA A 46 -19.800 20.365 -11.869 1.00 31.00 N ATOM 693 CA ALA A 46 -21.181 20.157 -11.452 1.00 13.33 C ATOM 694 C ALA A 46 -21.854 19.082 -12.298 1.00 22.03 C ATOM 695 O ALA A 46 -22.919 18.576 -11.944 1.00 55.23 O ATOM 696 CB ALA A 46 -21.960 21.462 -11.536 1.00 40.11 C ATOM 0 H ALA A 46 -19.612 21.287 -12.264 1.00 31.00 H new ATOM 0 HA ALA A 46 -21.174 19.816 -10.417 1.00 13.33 H new ATOM 0 HB1 ALA A 46 -22.990 21.292 -11.222 1.00 40.11 H new ATOM 0 HB2 ALA A 46 -21.499 22.203 -10.883 1.00 40.11 H new ATOM 0 HB3 ALA A 46 -21.950 21.826 -12.563 1.00 40.11 H new ATOM 702 N LYS A 47 -21.226 18.736 -13.416 1.00 14.54 N ATOM 703 CA LYS A 47 -21.763 17.719 -14.313 1.00 2.43 C ATOM 704 C LYS A 47 -21.293 16.328 -13.902 1.00 64.02 C ATOM 705 O LYS A 47 -21.903 15.322 -14.266 1.00 51.43 O ATOM 706 CB LYS A 47 -21.340 18.008 -15.755 1.00 72.32 C ATOM 707 CG LYS A 47 -22.161 17.260 -16.790 1.00 55.35 C ATOM 708 CD LYS A 47 -21.575 17.413 -18.184 1.00 1.21 C ATOM 709 CE LYS A 47 -22.015 18.715 -18.834 1.00 3.40 C ATOM 710 NZ LYS A 47 -21.258 19.883 -18.304 1.00 54.21 N ATOM 0 H LYS A 47 -20.344 19.145 -13.723 1.00 14.54 H new ATOM 0 HA LYS A 47 -22.851 17.749 -14.247 1.00 2.43 H new ATOM 0 HB2 LYS A 47 -21.423 19.079 -15.942 1.00 72.32 H new ATOM 0 HB3 LYS A 47 -20.289 17.744 -15.877 1.00 72.32 H new ATOM 0 HG2 LYS A 47 -22.204 16.203 -16.527 1.00 55.35 H new ATOM 0 HG3 LYS A 47 -23.185 17.633 -16.782 1.00 55.35 H new ATOM 0 HD2 LYS A 47 -20.487 17.383 -18.128 1.00 1.21 H new ATOM 0 HD3 LYS A 47 -21.885 16.572 -18.805 1.00 1.21 H new ATOM 0 HE2 LYS A 47 -21.872 18.649 -19.913 1.00 3.40 H new ATOM 0 HE3 LYS A 47 -23.081 18.865 -18.662 1.00 3.40 H new ATOM 0 HZ1 LYS A 47 -21.020 20.526 -19.086 1.00 54.21 H new ATOM 0 HZ2 LYS A 47 -21.842 20.387 -17.607 1.00 54.21 H new ATOM 0 HZ3 LYS A 47 -20.383 19.552 -17.849 1.00 54.21 H new ATOM 724 N LYS A 48 -20.206 16.277 -13.139 1.00 62.05 N ATOM 725 CA LYS A 48 -19.655 15.009 -12.676 1.00 21.33 C ATOM 726 C LYS A 48 -19.706 14.917 -11.155 1.00 13.24 C ATOM 727 O LYS A 48 -18.923 14.194 -10.541 1.00 31.04 O ATOM 728 CB LYS A 48 -18.212 14.850 -13.159 1.00 11.13 C ATOM 729 CG LYS A 48 -17.392 16.125 -13.058 1.00 72.33 C ATOM 730 CD LYS A 48 -17.434 16.918 -14.354 1.00 15.42 C ATOM 731 CE LYS A 48 -16.331 16.486 -15.308 1.00 13.02 C ATOM 732 NZ LYS A 48 -16.514 17.069 -16.667 1.00 24.44 N ATOM 0 H LYS A 48 -19.689 17.100 -12.828 1.00 62.05 H new ATOM 0 HA LYS A 48 -20.262 14.204 -13.092 1.00 21.33 H new ATOM 0 HB2 LYS A 48 -17.726 14.069 -12.575 1.00 11.13 H new ATOM 0 HB3 LYS A 48 -18.220 14.514 -14.196 1.00 11.13 H new ATOM 0 HG2 LYS A 48 -17.772 16.739 -12.242 1.00 72.33 H new ATOM 0 HG3 LYS A 48 -16.359 15.876 -12.816 1.00 72.33 H new ATOM 0 HD2 LYS A 48 -18.404 16.783 -14.833 1.00 15.42 H new ATOM 0 HD3 LYS A 48 -17.331 17.981 -14.135 1.00 15.42 H new ATOM 0 HE2 LYS A 48 -15.364 16.792 -14.908 1.00 13.02 H new ATOM 0 HE3 LYS A 48 -16.317 15.398 -15.378 1.00 13.02 H new ATOM 0 HZ1 LYS A 48 -15.743 16.751 -17.288 1.00 24.44 H new ATOM 0 HZ2 LYS A 48 -17.425 16.756 -17.059 1.00 24.44 H new ATOM 0 HZ3 LYS A 48 -16.502 18.107 -16.604 1.00 24.44 H new ATOM 746 N ASN A 49 -20.634 15.655 -10.552 1.00 63.43 N ATOM 747 CA ASN A 49 -20.787 15.656 -9.102 1.00 73.04 C ATOM 748 C ASN A 49 -19.458 15.953 -8.415 1.00 12.42 C ATOM 749 O ASN A 49 -19.203 15.489 -7.304 1.00 12.10 O ATOM 750 CB ASN A 49 -21.329 14.307 -8.625 1.00 35.01 C ATOM 751 CG ASN A 49 -22.764 14.075 -9.059 1.00 55.43 C ATOM 752 OD1 ASN A 49 -23.025 13.339 -10.011 1.00 33.14 O ATOM 753 ND2 ASN A 49 -23.703 14.704 -8.362 1.00 11.50 N ATOM 0 H ASN A 49 -21.291 16.259 -11.046 1.00 63.43 H new ATOM 0 HA ASN A 49 -21.496 16.440 -8.837 1.00 73.04 H new ATOM 0 HB2 ASN A 49 -20.700 13.507 -9.016 1.00 35.01 H new ATOM 0 HB3 ASN A 49 -21.268 14.258 -7.538 1.00 35.01 H new ATOM 0 HD21 ASN A 49 -24.686 14.586 -8.608 1.00 11.50 H new ATOM 0 HD22 ASN A 49 -23.442 15.305 -7.580 1.00 11.50 H new ATOM 760 N GLY A 50 -18.612 16.732 -9.084 1.00 33.44 N ATOM 761 CA GLY A 50 -17.321 17.079 -8.522 1.00 64.41 C ATOM 762 C GLY A 50 -16.457 15.860 -8.258 1.00 40.33 C ATOM 763 O GLY A 50 -15.482 15.933 -7.512 1.00 73.41 O ATOM 0 H GLY A 50 -18.799 17.128 -10.005 1.00 33.44 H new ATOM 0 HA2 GLY A 50 -16.799 17.749 -9.205 1.00 64.41 H new ATOM 0 HA3 GLY A 50 -17.469 17.625 -7.590 1.00 64.41 H new ATOM 767 N ASN A 51 -16.817 14.738 -8.872 1.00 0.30 N ATOM 768 CA ASN A 51 -16.069 13.498 -8.698 1.00 15.52 C ATOM 769 C ASN A 51 -15.011 13.344 -9.786 1.00 23.44 C ATOM 770 O ASN A 51 -15.219 12.639 -10.774 1.00 63.23 O ATOM 771 CB ASN A 51 -17.018 12.298 -8.720 1.00 14.43 C ATOM 772 CG ASN A 51 -16.486 11.125 -7.920 1.00 52.41 C ATOM 773 OD1 ASN A 51 -15.351 10.585 -8.347 1.00 4.54 O flip ATOM 774 ND2 ASN A 51 -17.089 10.709 -6.931 1.00 24.11 N flip ATOM 0 H ASN A 51 -17.622 14.662 -9.494 1.00 0.30 H new ATOM 0 HA ASN A 51 -15.567 13.538 -7.731 1.00 15.52 H new ATOM 0 HB2 ASN A 51 -17.987 12.597 -8.320 1.00 14.43 H new ATOM 0 HB3 ASN A 51 -17.181 11.986 -9.752 1.00 14.43 H new ATOM 0 HD21 ASN A 51 -17.959 11.155 -6.639 1.00 24.11 H new ATOM 0 HD22 ASN A 51 -16.719 9.918 -6.403 1.00 24.11 H new ATOM 781 N LEU A 52 -13.875 14.006 -9.595 1.00 44.24 N ATOM 782 CA LEU A 52 -12.782 13.943 -10.560 1.00 60.31 C ATOM 783 C LEU A 52 -12.174 12.544 -10.603 1.00 51.21 C ATOM 784 O LEU A 52 -11.434 12.206 -11.526 1.00 12.23 O ATOM 785 CB LEU A 52 -11.704 14.969 -10.207 1.00 60.15 C ATOM 786 CG LEU A 52 -11.153 14.900 -8.783 1.00 20.11 C ATOM 787 CD1 LEU A 52 -10.020 13.889 -8.696 1.00 54.42 C ATOM 788 CD2 LEU A 52 -10.680 16.273 -8.327 1.00 11.30 C ATOM 0 H LEU A 52 -13.687 14.592 -8.782 1.00 44.24 H new ATOM 0 HA LEU A 52 -13.186 14.174 -11.546 1.00 60.31 H new ATOM 0 HB2 LEU A 52 -10.874 14.848 -10.903 1.00 60.15 H new ATOM 0 HB3 LEU A 52 -12.113 15.966 -10.369 1.00 60.15 H new ATOM 0 HG LEU A 52 -11.955 14.574 -8.120 1.00 20.11 H new ATOM 0 HD11 LEU A 52 -9.641 13.854 -7.675 1.00 54.42 H new ATOM 0 HD12 LEU A 52 -10.389 12.903 -8.980 1.00 54.42 H new ATOM 0 HD13 LEU A 52 -9.217 14.184 -9.371 1.00 54.42 H new ATOM 0 HD21 LEU A 52 -10.291 16.205 -7.311 1.00 11.30 H new ATOM 0 HD22 LEU A 52 -9.894 16.627 -8.994 1.00 11.30 H new ATOM 0 HD23 LEU A 52 -11.516 16.972 -8.349 1.00 11.30 H new ATOM 800 N GLY A 53 -12.495 11.734 -9.598 1.00 53.23 N ATOM 801 CA GLY A 53 -11.974 10.380 -9.542 1.00 52.31 C ATOM 802 C GLY A 53 -10.561 10.326 -8.996 1.00 61.54 C ATOM 803 O GLY A 53 -10.275 10.887 -7.937 1.00 61.33 O ATOM 0 H GLY A 53 -13.106 11.991 -8.823 1.00 53.23 H new ATOM 0 HA2 GLY A 53 -12.625 9.769 -8.917 1.00 52.31 H new ATOM 0 HA3 GLY A 53 -11.991 9.946 -10.542 1.00 52.31 H new ATOM 807 N TYR A 54 -9.675 9.648 -9.718 1.00 33.43 N ATOM 808 CA TYR A 54 -8.285 9.517 -9.296 1.00 55.33 C ATOM 809 C TYR A 54 -7.439 10.658 -9.854 1.00 75.21 C ATOM 810 O TYR A 54 -7.597 11.057 -11.008 1.00 2.14 O ATOM 811 CB TYR A 54 -7.716 8.174 -9.754 1.00 11.21 C ATOM 812 CG TYR A 54 -7.731 7.112 -8.678 1.00 41.01 C ATOM 813 CD1 TYR A 54 -8.833 6.951 -7.848 1.00 73.32 C ATOM 814 CD2 TYR A 54 -6.641 6.270 -8.491 1.00 34.44 C ATOM 815 CE1 TYR A 54 -8.851 5.983 -6.863 1.00 74.41 C ATOM 816 CE2 TYR A 54 -6.651 5.298 -7.509 1.00 33.31 C ATOM 817 CZ TYR A 54 -7.757 5.158 -6.698 1.00 73.50 C ATOM 818 OH TYR A 54 -7.772 4.191 -5.719 1.00 20.12 O ATOM 0 H TYR A 54 -9.895 9.181 -10.598 1.00 33.43 H new ATOM 0 HA TYR A 54 -8.255 9.564 -8.207 1.00 55.33 H new ATOM 0 HB2 TYR A 54 -8.289 7.819 -10.611 1.00 11.21 H new ATOM 0 HB3 TYR A 54 -6.691 8.320 -10.094 1.00 11.21 H new ATOM 0 HD1 TYR A 54 -9.691 7.594 -7.975 1.00 73.32 H new ATOM 0 HD2 TYR A 54 -5.772 6.377 -9.124 1.00 34.44 H new ATOM 0 HE1 TYR A 54 -9.716 5.872 -6.226 1.00 74.41 H new ATOM 0 HE2 TYR A 54 -5.796 4.651 -7.377 1.00 33.31 H new ATOM 0 HH TYR A 54 -6.927 3.695 -5.736 1.00 20.12 H new ATOM 828 N PHE A 55 -6.539 11.178 -9.026 1.00 12.02 N ATOM 829 CA PHE A 55 -5.667 12.273 -9.433 1.00 64.22 C ATOM 830 C PHE A 55 -4.271 12.106 -8.839 1.00 63.43 C ATOM 831 O PHE A 55 -4.008 11.160 -8.095 1.00 53.40 O ATOM 832 CB PHE A 55 -6.261 13.615 -9.001 1.00 40.14 C ATOM 833 CG PHE A 55 -5.872 14.021 -7.609 1.00 44.41 C ATOM 834 CD1 PHE A 55 -6.026 13.145 -6.548 1.00 31.23 C ATOM 835 CD2 PHE A 55 -5.351 15.282 -7.361 1.00 32.14 C ATOM 836 CE1 PHE A 55 -5.668 13.516 -5.265 1.00 71.21 C ATOM 837 CE2 PHE A 55 -4.991 15.658 -6.080 1.00 51.34 C ATOM 838 CZ PHE A 55 -5.151 14.774 -5.032 1.00 2.23 C ATOM 0 H PHE A 55 -6.395 10.858 -8.068 1.00 12.02 H new ATOM 0 HA PHE A 55 -5.585 12.254 -10.520 1.00 64.22 H new ATOM 0 HB2 PHE A 55 -5.940 14.387 -9.700 1.00 40.14 H new ATOM 0 HB3 PHE A 55 -7.348 13.560 -9.065 1.00 40.14 H new ATOM 0 HD1 PHE A 55 -6.431 12.159 -6.725 1.00 31.23 H new ATOM 0 HD2 PHE A 55 -5.225 15.978 -8.177 1.00 32.14 H new ATOM 0 HE1 PHE A 55 -5.793 12.822 -4.447 1.00 71.21 H new ATOM 0 HE2 PHE A 55 -4.585 16.642 -5.900 1.00 51.34 H new ATOM 0 HZ PHE A 55 -4.872 15.067 -4.031 1.00 2.23 H new ATOM 848 N THR A 56 -3.377 13.032 -9.175 1.00 32.43 N ATOM 849 CA THR A 56 -2.008 12.988 -8.677 1.00 35.51 C ATOM 850 C THR A 56 -1.451 14.392 -8.476 1.00 0.22 C ATOM 851 O THR A 56 -2.052 15.377 -8.905 1.00 63.14 O ATOM 852 CB THR A 56 -1.086 12.214 -9.638 1.00 52.21 C ATOM 853 OG1 THR A 56 -0.848 12.989 -10.819 1.00 21.21 O ATOM 854 CG2 THR A 56 -1.701 10.876 -10.019 1.00 0.03 C ATOM 0 H THR A 56 -3.577 13.821 -9.790 1.00 32.43 H new ATOM 0 HA THR A 56 -2.037 12.471 -7.718 1.00 35.51 H new ATOM 0 HB THR A 56 -0.140 12.029 -9.128 1.00 52.21 H new ATOM 0 HG1 THR A 56 -0.260 12.491 -11.424 1.00 21.21 H new ATOM 0 HG21 THR A 56 -1.032 10.348 -10.698 1.00 0.03 H new ATOM 0 HG22 THR A 56 -1.854 10.277 -9.121 1.00 0.03 H new ATOM 0 HG23 THR A 56 -2.659 11.043 -10.511 1.00 0.03 H new ATOM 862 N LYS A 57 -0.298 14.478 -7.821 1.00 32.23 N ATOM 863 CA LYS A 57 0.343 15.763 -7.564 1.00 34.41 C ATOM 864 C LYS A 57 0.828 16.398 -8.863 1.00 14.01 C ATOM 865 O LYS A 57 1.845 15.989 -9.423 1.00 12.02 O ATOM 866 CB LYS A 57 1.518 15.586 -6.601 1.00 3.03 C ATOM 867 CG LYS A 57 1.145 14.875 -5.310 1.00 41.05 C ATOM 868 CD LYS A 57 2.315 14.080 -4.754 1.00 51.43 C ATOM 869 CE LYS A 57 3.502 14.979 -4.445 1.00 23.34 C ATOM 870 NZ LYS A 57 4.530 14.931 -5.522 1.00 14.44 N ATOM 0 H LYS A 57 0.212 13.673 -7.458 1.00 32.23 H new ATOM 0 HA LYS A 57 -0.395 16.425 -7.110 1.00 34.41 H new ATOM 0 HB2 LYS A 57 2.306 15.023 -7.102 1.00 3.03 H new ATOM 0 HB3 LYS A 57 1.930 16.566 -6.360 1.00 3.03 H new ATOM 0 HG2 LYS A 57 0.818 15.607 -4.572 1.00 41.05 H new ATOM 0 HG3 LYS A 57 0.303 14.207 -5.491 1.00 41.05 H new ATOM 0 HD2 LYS A 57 2.005 13.560 -3.847 1.00 51.43 H new ATOM 0 HD3 LYS A 57 2.612 13.317 -5.473 1.00 51.43 H new ATOM 0 HE2 LYS A 57 3.157 16.005 -4.318 1.00 23.34 H new ATOM 0 HE3 LYS A 57 3.952 14.675 -3.500 1.00 23.34 H new ATOM 0 HZ1 LYS A 57 5.412 14.530 -5.143 1.00 14.44 H new ATOM 0 HZ2 LYS A 57 4.187 14.336 -6.303 1.00 14.44 H new ATOM 0 HZ3 LYS A 57 4.710 15.893 -5.873 1.00 14.44 H new ATOM 884 N GLY A 58 0.094 17.400 -9.337 1.00 3.21 N ATOM 885 CA GLY A 58 0.468 18.077 -10.565 1.00 74.22 C ATOM 886 C GLY A 58 -0.671 18.133 -11.565 1.00 11.13 C ATOM 887 O GLY A 58 -0.499 18.608 -12.687 1.00 24.41 O ATOM 0 H GLY A 58 -0.753 17.755 -8.893 1.00 3.21 H new ATOM 0 HA2 GLY A 58 0.794 19.091 -10.333 1.00 74.22 H new ATOM 0 HA3 GLY A 58 1.318 17.564 -11.015 1.00 74.22 H new ATOM 891 N MET A 59 -1.839 17.647 -11.157 1.00 21.32 N ATOM 892 CA MET A 59 -3.011 17.644 -12.026 1.00 2.23 C ATOM 893 C MET A 59 -4.017 18.702 -11.583 1.00 60.33 C ATOM 894 O MET A 59 -5.093 18.830 -12.167 1.00 42.04 O ATOM 895 CB MET A 59 -3.670 16.263 -12.024 1.00 43.41 C ATOM 896 CG MET A 59 -2.752 15.152 -12.506 1.00 13.04 C ATOM 897 SD MET A 59 -2.697 15.025 -14.303 1.00 41.45 S ATOM 898 CE MET A 59 -4.358 14.454 -14.654 1.00 1.42 C ATOM 0 H MET A 59 -1.999 17.250 -10.231 1.00 21.32 H new ATOM 0 HA MET A 59 -2.684 17.880 -13.039 1.00 2.23 H new ATOM 0 HB2 MET A 59 -4.008 16.032 -11.014 1.00 43.41 H new ATOM 0 HB3 MET A 59 -4.557 16.291 -12.658 1.00 43.41 H new ATOM 0 HG2 MET A 59 -1.745 15.328 -12.127 1.00 13.04 H new ATOM 0 HG3 MET A 59 -3.088 14.202 -12.089 1.00 13.04 H new ATOM 0 HE1 MET A 59 -4.369 13.932 -15.611 1.00 1.42 H new ATOM 0 HE2 MET A 59 -4.683 13.774 -13.866 1.00 1.42 H new ATOM 0 HE3 MET A 59 -5.034 15.308 -14.699 1.00 1.42 H new ATOM 908 N MET A 60 -3.661 19.455 -10.548 1.00 40.25 N ATOM 909 CA MET A 60 -4.535 20.502 -10.030 1.00 4.42 C ATOM 910 C MET A 60 -3.739 21.764 -9.710 1.00 3.10 C ATOM 911 O MET A 60 -2.569 21.882 -10.074 1.00 44.05 O ATOM 912 CB MET A 60 -5.263 20.013 -8.777 1.00 54.05 C ATOM 913 CG MET A 60 -5.991 18.693 -8.973 1.00 62.51 C ATOM 914 SD MET A 60 -7.615 18.900 -9.729 1.00 1.41 S ATOM 915 CE MET A 60 -7.855 17.285 -10.464 1.00 43.02 C ATOM 0 H MET A 60 -2.775 19.360 -10.052 1.00 40.25 H new ATOM 0 HA MET A 60 -5.270 20.742 -10.798 1.00 4.42 H new ATOM 0 HB2 MET A 60 -4.542 19.904 -7.967 1.00 54.05 H new ATOM 0 HB3 MET A 60 -5.981 20.771 -8.465 1.00 54.05 H new ATOM 0 HG2 MET A 60 -5.385 18.038 -9.598 1.00 62.51 H new ATOM 0 HG3 MET A 60 -6.104 18.198 -8.008 1.00 62.51 H new ATOM 0 HE1 MET A 60 -8.873 17.207 -10.847 1.00 43.02 H new ATOM 0 HE2 MET A 60 -7.148 17.149 -11.282 1.00 43.02 H new ATOM 0 HE3 MET A 60 -7.691 16.514 -9.711 1.00 43.02 H new ATOM 925 N VAL A 61 -4.382 22.705 -9.027 1.00 3.42 N ATOM 926 CA VAL A 61 -3.734 23.958 -8.657 1.00 14.42 C ATOM 927 C VAL A 61 -3.122 23.871 -7.263 1.00 60.43 C ATOM 928 O VAL A 61 -3.430 22.960 -6.494 1.00 1.00 O ATOM 929 CB VAL A 61 -4.727 25.137 -8.696 1.00 65.51 C ATOM 930 CG1 VAL A 61 -5.409 25.214 -10.053 1.00 54.44 C ATOM 931 CG2 VAL A 61 -5.753 25.005 -7.581 1.00 3.31 C ATOM 0 H VAL A 61 -5.351 22.624 -8.719 1.00 3.42 H new ATOM 0 HA VAL A 61 -2.944 24.132 -9.387 1.00 14.42 H new ATOM 0 HB VAL A 61 -4.173 26.063 -8.541 1.00 65.51 H new ATOM 0 HG11 VAL A 61 -6.106 26.052 -10.063 1.00 54.44 H new ATOM 0 HG12 VAL A 61 -4.658 25.358 -10.830 1.00 54.44 H new ATOM 0 HG13 VAL A 61 -5.952 24.288 -10.240 1.00 54.44 H new ATOM 0 HG21 VAL A 61 -6.446 25.845 -7.623 1.00 3.31 H new ATOM 0 HG22 VAL A 61 -6.305 24.073 -7.703 1.00 3.31 H new ATOM 0 HG23 VAL A 61 -5.244 25.002 -6.617 1.00 3.31 H new ATOM 941 N LYS A 62 -2.253 24.823 -6.944 1.00 50.42 N ATOM 942 CA LYS A 62 -1.597 24.856 -5.642 1.00 10.14 C ATOM 943 C LYS A 62 -2.624 24.817 -4.515 1.00 22.41 C ATOM 944 O LYS A 62 -2.624 23.918 -3.673 1.00 73.55 O ATOM 945 CB LYS A 62 -0.733 26.112 -5.515 1.00 3.12 C ATOM 946 CG LYS A 62 -0.629 26.639 -4.094 1.00 42.14 C ATOM 947 CD LYS A 62 0.500 27.646 -3.953 1.00 70.33 C ATOM 948 CE LYS A 62 0.659 28.106 -2.512 1.00 50.05 C ATOM 949 NZ LYS A 62 -0.027 29.405 -2.266 1.00 72.32 N ATOM 0 H LYS A 62 -1.986 25.583 -7.570 1.00 50.42 H new ATOM 0 HA LYS A 62 -0.960 23.975 -5.561 1.00 10.14 H new ATOM 0 HB2 LYS A 62 0.268 25.893 -5.886 1.00 3.12 H new ATOM 0 HB3 LYS A 62 -1.146 26.893 -6.154 1.00 3.12 H new ATOM 0 HG2 LYS A 62 -1.572 27.106 -3.808 1.00 42.14 H new ATOM 0 HG3 LYS A 62 -0.464 25.808 -3.408 1.00 42.14 H new ATOM 0 HD2 LYS A 62 1.432 27.200 -4.299 1.00 70.33 H new ATOM 0 HD3 LYS A 62 0.303 28.507 -4.591 1.00 70.33 H new ATOM 0 HE2 LYS A 62 0.253 27.348 -1.842 1.00 50.05 H new ATOM 0 HE3 LYS A 62 1.719 28.205 -2.277 1.00 50.05 H new ATOM 0 HZ1 LYS A 62 0.105 29.684 -1.273 1.00 72.32 H new ATOM 0 HZ2 LYS A 62 0.377 30.134 -2.887 1.00 72.32 H new ATOM 0 HZ3 LYS A 62 -1.043 29.304 -2.466 1.00 72.32 H new ATOM 963 N PRO A 63 -3.521 25.813 -4.495 1.00 52.41 N ATOM 964 CA PRO A 63 -4.571 25.914 -3.477 1.00 31.34 C ATOM 965 C PRO A 63 -5.632 24.830 -3.630 1.00 51.04 C ATOM 966 O PRO A 63 -6.830 25.108 -3.571 1.00 33.31 O ATOM 967 CB PRO A 63 -5.178 27.297 -3.728 1.00 24.11 C ATOM 968 CG PRO A 63 -4.897 27.578 -5.164 1.00 74.34 C ATOM 969 CD PRO A 63 -3.580 26.920 -5.466 1.00 5.13 C ATOM 0 HA PRO A 63 -4.176 25.784 -2.470 1.00 31.34 H new ATOM 0 HB2 PRO A 63 -6.249 27.302 -3.526 1.00 24.11 H new ATOM 0 HB3 PRO A 63 -4.728 28.050 -3.082 1.00 24.11 H new ATOM 0 HG2 PRO A 63 -5.687 27.180 -5.801 1.00 74.34 H new ATOM 0 HG3 PRO A 63 -4.848 28.651 -5.349 1.00 74.34 H new ATOM 0 HD2 PRO A 63 -3.538 26.557 -6.493 1.00 5.13 H new ATOM 0 HD3 PRO A 63 -2.747 27.611 -5.339 1.00 5.13 H new ATOM 977 N PHE A 64 -5.185 23.594 -3.828 1.00 14.22 N ATOM 978 CA PHE A 64 -6.098 22.468 -3.990 1.00 0.20 C ATOM 979 C PHE A 64 -5.350 21.142 -3.883 1.00 51.11 C ATOM 980 O PHE A 64 -5.646 20.319 -3.019 1.00 13.33 O ATOM 981 CB PHE A 64 -6.814 22.555 -5.340 1.00 14.12 C ATOM 982 CG PHE A 64 -7.728 21.395 -5.609 1.00 34.51 C ATOM 983 CD1 PHE A 64 -7.229 20.209 -6.124 1.00 33.11 C ATOM 984 CD2 PHE A 64 -9.085 21.489 -5.348 1.00 14.04 C ATOM 985 CE1 PHE A 64 -8.068 19.139 -6.373 1.00 55.04 C ATOM 986 CE2 PHE A 64 -9.929 20.422 -5.595 1.00 15.23 C ATOM 987 CZ PHE A 64 -9.419 19.246 -6.108 1.00 34.22 C ATOM 0 H PHE A 64 -4.197 23.347 -3.880 1.00 14.22 H new ATOM 0 HA PHE A 64 -6.837 22.514 -3.191 1.00 0.20 H new ATOM 0 HB2 PHE A 64 -7.392 23.479 -5.377 1.00 14.12 H new ATOM 0 HB3 PHE A 64 -6.070 22.613 -6.134 1.00 14.12 H new ATOM 0 HD1 PHE A 64 -6.173 20.120 -6.333 1.00 33.11 H new ATOM 0 HD2 PHE A 64 -9.489 22.407 -4.947 1.00 14.04 H new ATOM 0 HE1 PHE A 64 -7.667 18.220 -6.775 1.00 55.04 H new ATOM 0 HE2 PHE A 64 -10.985 20.508 -5.387 1.00 15.23 H new ATOM 0 HZ PHE A 64 -10.076 18.411 -6.302 1.00 34.22 H new ATOM 997 N GLU A 65 -4.379 20.945 -4.769 1.00 63.35 N ATOM 998 CA GLU A 65 -3.589 19.719 -4.776 1.00 31.31 C ATOM 999 C GLU A 65 -3.027 19.426 -3.387 1.00 71.15 C ATOM 1000 O GLU A 65 -3.110 18.300 -2.898 1.00 4.14 O ATOM 1001 CB GLU A 65 -2.447 19.826 -5.788 1.00 41.35 C ATOM 1002 CG GLU A 65 -1.728 18.511 -6.037 1.00 72.23 C ATOM 1003 CD GLU A 65 -0.219 18.659 -6.022 1.00 12.03 C ATOM 1004 OE1 GLU A 65 0.346 19.067 -7.058 1.00 4.30 O ATOM 1005 OE2 GLU A 65 0.396 18.366 -4.976 1.00 31.30 O ATOM 0 H GLU A 65 -4.121 21.618 -5.491 1.00 63.35 H new ATOM 0 HA GLU A 65 -4.244 18.897 -5.065 1.00 31.31 H new ATOM 0 HB2 GLU A 65 -2.844 20.198 -6.733 1.00 41.35 H new ATOM 0 HB3 GLU A 65 -1.726 20.563 -5.433 1.00 41.35 H new ATOM 0 HG2 GLU A 65 -2.026 17.789 -5.277 1.00 72.23 H new ATOM 0 HG3 GLU A 65 -2.040 18.107 -7.000 1.00 72.23 H new ATOM 1012 N ASP A 66 -2.456 20.448 -2.760 1.00 2.33 N ATOM 1013 CA ASP A 66 -1.881 20.303 -1.428 1.00 60.44 C ATOM 1014 C ASP A 66 -2.888 19.680 -0.466 1.00 3.11 C ATOM 1015 O ASP A 66 -2.561 18.755 0.277 1.00 53.12 O ATOM 1016 CB ASP A 66 -1.421 21.661 -0.896 1.00 71.15 C ATOM 1017 CG ASP A 66 -0.897 21.579 0.524 1.00 40.14 C ATOM 1018 OD1 ASP A 66 -1.706 21.724 1.464 1.00 23.31 O ATOM 1019 OD2 ASP A 66 0.323 21.370 0.695 1.00 35.12 O ATOM 0 H ASP A 66 -2.379 21.386 -3.153 1.00 2.33 H new ATOM 0 HA ASP A 66 -1.019 19.640 -1.502 1.00 60.44 H new ATOM 0 HB2 ASP A 66 -0.641 22.057 -1.546 1.00 71.15 H new ATOM 0 HB3 ASP A 66 -2.254 22.363 -0.933 1.00 71.15 H new ATOM 1024 N ALA A 67 -4.113 20.195 -0.485 1.00 62.32 N ATOM 1025 CA ALA A 67 -5.167 19.689 0.385 1.00 0.40 C ATOM 1026 C ALA A 67 -6.154 18.825 -0.394 1.00 24.33 C ATOM 1027 O ALA A 67 -7.363 18.902 -0.182 1.00 0.50 O ATOM 1028 CB ALA A 67 -5.893 20.843 1.060 1.00 20.03 C ATOM 0 H ALA A 67 -4.400 20.962 -1.093 1.00 62.32 H new ATOM 0 HA ALA A 67 -4.704 19.067 1.151 1.00 0.40 H new ATOM 0 HB1 ALA A 67 -6.678 20.451 1.707 1.00 20.03 H new ATOM 0 HB2 ALA A 67 -5.185 21.419 1.656 1.00 20.03 H new ATOM 0 HB3 ALA A 67 -6.337 21.487 0.301 1.00 20.03 H new ATOM 1034 N ALA A 68 -5.628 18.002 -1.295 1.00 55.14 N ATOM 1035 CA ALA A 68 -6.462 17.122 -2.104 1.00 73.22 C ATOM 1036 C ALA A 68 -6.176 15.656 -1.795 1.00 12.14 C ATOM 1037 O ALA A 68 -7.042 14.796 -1.961 1.00 23.14 O ATOM 1038 CB ALA A 68 -6.245 17.403 -3.584 1.00 32.54 C ATOM 0 H ALA A 68 -4.628 17.926 -1.483 1.00 55.14 H new ATOM 0 HA ALA A 68 -7.504 17.322 -1.856 1.00 73.22 H new ATOM 0 HB1 ALA A 68 -6.874 16.739 -4.177 1.00 32.54 H new ATOM 0 HB2 ALA A 68 -6.507 18.439 -3.800 1.00 32.54 H new ATOM 0 HB3 ALA A 68 -5.198 17.233 -3.837 1.00 32.54 H new ATOM 1044 N PHE A 69 -4.958 15.379 -1.344 1.00 64.21 N ATOM 1045 CA PHE A 69 -4.557 14.016 -1.012 1.00 51.21 C ATOM 1046 C PHE A 69 -4.038 13.935 0.420 1.00 20.14 C ATOM 1047 O PHE A 69 -3.702 12.858 0.911 1.00 21.12 O ATOM 1048 CB PHE A 69 -3.482 13.527 -1.985 1.00 20.12 C ATOM 1049 CG PHE A 69 -2.269 14.411 -2.032 1.00 3.04 C ATOM 1050 CD1 PHE A 69 -1.217 14.213 -1.152 1.00 13.13 C ATOM 1051 CD2 PHE A 69 -2.181 15.440 -2.955 1.00 40.42 C ATOM 1052 CE1 PHE A 69 -0.099 15.025 -1.192 1.00 72.32 C ATOM 1053 CE2 PHE A 69 -1.065 16.255 -3.001 1.00 33.23 C ATOM 1054 CZ PHE A 69 -0.023 16.048 -2.117 1.00 72.54 C ATOM 0 H PHE A 69 -4.231 16.080 -1.200 1.00 64.21 H new ATOM 0 HA PHE A 69 -5.434 13.375 -1.098 1.00 51.21 H new ATOM 0 HB2 PHE A 69 -3.177 12.520 -1.701 1.00 20.12 H new ATOM 0 HB3 PHE A 69 -3.912 13.460 -2.985 1.00 20.12 H new ATOM 0 HD1 PHE A 69 -1.271 13.415 -0.426 1.00 13.13 H new ATOM 0 HD2 PHE A 69 -2.993 15.608 -3.647 1.00 40.42 H new ATOM 0 HE1 PHE A 69 0.714 14.860 -0.501 1.00 72.32 H new ATOM 0 HE2 PHE A 69 -1.008 17.053 -3.727 1.00 33.23 H new ATOM 0 HZ PHE A 69 0.849 16.685 -2.149 1.00 72.54 H new ATOM 1064 N LYS A 70 -3.975 15.084 1.086 1.00 31.42 N ATOM 1065 CA LYS A 70 -3.498 15.145 2.463 1.00 61.24 C ATOM 1066 C LYS A 70 -4.594 14.728 3.438 1.00 52.42 C ATOM 1067 O LYS A 70 -4.342 14.539 4.628 1.00 3.21 O ATOM 1068 CB LYS A 70 -3.016 16.560 2.794 1.00 32.30 C ATOM 1069 CG LYS A 70 -4.103 17.455 3.363 1.00 20.11 C ATOM 1070 CD LYS A 70 -3.641 18.898 3.463 1.00 1.34 C ATOM 1071 CE LYS A 70 -2.556 19.064 4.517 1.00 62.45 C ATOM 1072 NZ LYS A 70 -3.122 19.437 5.842 1.00 44.14 N ATOM 0 H LYS A 70 -4.248 15.985 0.694 1.00 31.42 H new ATOM 0 HA LYS A 70 -2.664 14.450 2.564 1.00 61.24 H new ATOM 0 HB2 LYS A 70 -2.197 16.497 3.510 1.00 32.30 H new ATOM 0 HB3 LYS A 70 -2.615 17.019 1.890 1.00 32.30 H new ATOM 0 HG2 LYS A 70 -4.990 17.399 2.731 1.00 20.11 H new ATOM 0 HG3 LYS A 70 -4.392 17.095 4.351 1.00 20.11 H new ATOM 0 HD2 LYS A 70 -3.263 19.228 2.495 1.00 1.34 H new ATOM 0 HD3 LYS A 70 -4.489 19.537 3.709 1.00 1.34 H new ATOM 0 HE2 LYS A 70 -1.995 18.134 4.611 1.00 62.45 H new ATOM 0 HE3 LYS A 70 -1.851 19.830 4.195 1.00 62.45 H new ATOM 0 HZ1 LYS A 70 -2.351 19.541 6.532 1.00 44.14 H new ATOM 0 HZ2 LYS A 70 -3.636 20.337 5.759 1.00 44.14 H new ATOM 0 HZ3 LYS A 70 -3.776 18.694 6.162 1.00 44.14 H new ATOM 1086 N LEU A 71 -5.812 14.586 2.925 1.00 13.33 N ATOM 1087 CA LEU A 71 -6.948 14.190 3.752 1.00 52.51 C ATOM 1088 C LEU A 71 -6.931 12.689 4.017 1.00 24.13 C ATOM 1089 O LEU A 71 -6.077 11.968 3.501 1.00 21.31 O ATOM 1090 CB LEU A 71 -8.261 14.585 3.072 1.00 24.01 C ATOM 1091 CG LEU A 71 -8.277 15.952 2.387 1.00 4.40 C ATOM 1092 CD1 LEU A 71 -9.486 16.077 1.473 1.00 33.21 C ATOM 1093 CD2 LEU A 71 -8.271 17.067 3.422 1.00 11.13 C ATOM 0 H LEU A 71 -6.038 14.739 1.942 1.00 13.33 H new ATOM 0 HA LEU A 71 -6.870 14.710 4.707 1.00 52.51 H new ATOM 0 HB2 LEU A 71 -8.505 13.826 2.329 1.00 24.01 H new ATOM 0 HB3 LEU A 71 -9.054 14.566 3.819 1.00 24.01 H new ATOM 0 HG LEU A 71 -7.377 16.043 1.779 1.00 4.40 H new ATOM 0 HD11 LEU A 71 -9.481 17.056 0.994 1.00 33.21 H new ATOM 0 HD12 LEU A 71 -9.447 15.300 0.710 1.00 33.21 H new ATOM 0 HD13 LEU A 71 -10.398 15.965 2.059 1.00 33.21 H new ATOM 0 HD21 LEU A 71 -8.283 18.033 2.917 1.00 11.13 H new ATOM 0 HD22 LEU A 71 -9.153 16.979 4.057 1.00 11.13 H new ATOM 0 HD23 LEU A 71 -7.373 16.989 4.035 1.00 11.13 H new ATOM 1105 N GLN A 72 -7.881 12.225 4.822 1.00 22.32 N ATOM 1106 CA GLN A 72 -7.975 10.808 5.154 1.00 23.24 C ATOM 1107 C GLN A 72 -9.025 10.116 4.292 1.00 75.41 C ATOM 1108 O GLN A 72 -9.678 10.748 3.462 1.00 42.32 O ATOM 1109 CB GLN A 72 -8.316 10.631 6.635 1.00 60.30 C ATOM 1110 CG GLN A 72 -7.176 11.002 7.571 1.00 54.14 C ATOM 1111 CD GLN A 72 -7.520 10.773 9.028 1.00 35.43 C ATOM 1112 OE1 GLN A 72 -8.059 11.655 9.698 1.00 55.41 O ATOM 1113 NE2 GLN A 72 -7.211 9.584 9.530 1.00 23.33 N ATOM 0 H GLN A 72 -8.596 12.809 5.256 1.00 22.32 H new ATOM 0 HA GLN A 72 -7.007 10.349 4.954 1.00 23.24 H new ATOM 0 HB2 GLN A 72 -9.186 11.243 6.875 1.00 60.30 H new ATOM 0 HB3 GLN A 72 -8.598 9.593 6.813 1.00 60.30 H new ATOM 0 HG2 GLN A 72 -6.294 10.416 7.313 1.00 54.14 H new ATOM 0 HG3 GLN A 72 -6.916 12.050 7.423 1.00 54.14 H new ATOM 0 HE21 GLN A 72 -6.765 8.882 8.940 1.00 23.33 H new ATOM 0 HE22 GLN A 72 -7.420 9.373 10.506 1.00 23.33 H new ATOM 1122 N VAL A 73 -9.183 8.811 4.494 1.00 2.32 N ATOM 1123 CA VAL A 73 -10.155 8.032 3.735 1.00 12.41 C ATOM 1124 C VAL A 73 -11.580 8.473 4.051 1.00 1.15 C ATOM 1125 O VAL A 73 -12.203 7.972 4.986 1.00 1.11 O ATOM 1126 CB VAL A 73 -10.019 6.526 4.028 1.00 23.05 C ATOM 1127 CG1 VAL A 73 -9.993 6.274 5.529 1.00 60.23 C ATOM 1128 CG2 VAL A 73 -11.149 5.751 3.369 1.00 53.34 C ATOM 0 H VAL A 73 -8.651 8.271 5.177 1.00 2.32 H new ATOM 0 HA VAL A 73 -9.948 8.210 2.680 1.00 12.41 H new ATOM 0 HB VAL A 73 -9.076 6.176 3.608 1.00 23.05 H new ATOM 0 HG11 VAL A 73 -9.897 5.205 5.717 1.00 60.23 H new ATOM 0 HG12 VAL A 73 -9.146 6.798 5.971 1.00 60.23 H new ATOM 0 HG13 VAL A 73 -10.918 6.639 5.975 1.00 60.23 H new ATOM 0 HG21 VAL A 73 -11.037 4.689 3.587 1.00 53.34 H new ATOM 0 HG22 VAL A 73 -12.105 6.102 3.757 1.00 53.34 H new ATOM 0 HG23 VAL A 73 -11.116 5.906 2.291 1.00 53.34 H new ATOM 1138 N GLY A 74 -12.090 9.416 3.263 1.00 32.25 N ATOM 1139 CA GLY A 74 -13.438 9.909 3.475 1.00 32.13 C ATOM 1140 C GLY A 74 -13.471 11.152 4.342 1.00 53.24 C ATOM 1141 O GLY A 74 -14.479 11.440 4.986 1.00 61.00 O ATOM 0 H GLY A 74 -11.594 9.846 2.483 1.00 32.25 H new ATOM 0 HA2 GLY A 74 -13.897 10.130 2.511 1.00 32.13 H new ATOM 0 HA3 GLY A 74 -14.038 9.128 3.942 1.00 32.13 H new ATOM 1145 N GLU A 75 -12.366 11.891 4.357 1.00 61.43 N ATOM 1146 CA GLU A 75 -12.273 13.109 5.152 1.00 34.05 C ATOM 1147 C GLU A 75 -12.408 14.346 4.271 1.00 53.25 C ATOM 1148 O GLU A 75 -11.653 14.527 3.316 1.00 40.52 O ATOM 1149 CB GLU A 75 -10.944 13.150 5.909 1.00 62.21 C ATOM 1150 CG GLU A 75 -11.103 13.249 7.417 1.00 61.34 C ATOM 1151 CD GLU A 75 -9.860 13.785 8.101 1.00 53.12 C ATOM 1152 OE1 GLU A 75 -8.744 13.450 7.652 1.00 22.23 O ATOM 1153 OE2 GLU A 75 -10.005 14.539 9.086 1.00 44.12 O ATOM 0 H GLU A 75 -11.523 11.667 3.828 1.00 61.43 H new ATOM 0 HA GLU A 75 -13.092 13.106 5.871 1.00 34.05 H new ATOM 0 HB2 GLU A 75 -10.373 12.253 5.671 1.00 62.21 H new ATOM 0 HB3 GLU A 75 -10.362 14.002 5.557 1.00 62.21 H new ATOM 0 HG2 GLU A 75 -11.948 13.897 7.648 1.00 61.34 H new ATOM 0 HG3 GLU A 75 -11.338 12.264 7.819 1.00 61.34 H new ATOM 1160 N VAL A 76 -13.377 15.196 4.598 1.00 12.11 N ATOM 1161 CA VAL A 76 -13.612 16.417 3.837 1.00 53.21 C ATOM 1162 C VAL A 76 -12.592 17.492 4.194 1.00 64.05 C ATOM 1163 O VAL A 76 -12.282 17.705 5.366 1.00 61.04 O ATOM 1164 CB VAL A 76 -15.029 16.968 4.084 1.00 40.51 C ATOM 1165 CG1 VAL A 76 -15.247 18.252 3.297 1.00 74.43 C ATOM 1166 CG2 VAL A 76 -16.076 15.926 3.721 1.00 0.31 C ATOM 0 H VAL A 76 -14.012 15.061 5.385 1.00 12.11 H new ATOM 0 HA VAL A 76 -13.509 16.158 2.783 1.00 53.21 H new ATOM 0 HB VAL A 76 -15.131 17.198 5.144 1.00 40.51 H new ATOM 0 HG11 VAL A 76 -16.253 18.627 3.484 1.00 74.43 H new ATOM 0 HG12 VAL A 76 -14.518 18.999 3.610 1.00 74.43 H new ATOM 0 HG13 VAL A 76 -15.126 18.051 2.232 1.00 74.43 H new ATOM 0 HG21 VAL A 76 -17.071 16.332 3.902 1.00 0.31 H new ATOM 0 HG22 VAL A 76 -15.977 15.662 2.668 1.00 0.31 H new ATOM 0 HG23 VAL A 76 -15.931 15.036 4.333 1.00 0.31 H new ATOM 1176 N SER A 77 -12.071 18.167 3.174 1.00 55.22 N ATOM 1177 CA SER A 77 -11.082 19.219 3.378 1.00 20.01 C ATOM 1178 C SER A 77 -11.752 20.518 3.815 1.00 41.21 C ATOM 1179 O SER A 77 -12.926 20.529 4.182 1.00 14.23 O ATOM 1180 CB SER A 77 -10.281 19.452 2.096 1.00 61.21 C ATOM 1181 OG SER A 77 -8.942 19.813 2.389 1.00 14.14 O ATOM 0 H SER A 77 -12.318 18.004 2.198 1.00 55.22 H new ATOM 0 HA SER A 77 -10.404 18.896 4.168 1.00 20.01 H new ATOM 0 HB2 SER A 77 -10.292 18.548 1.487 1.00 61.21 H new ATOM 0 HB3 SER A 77 -10.752 20.239 1.507 1.00 61.21 H new ATOM 0 HG SER A 77 -8.798 20.754 2.156 1.00 14.14 H new ATOM 1187 N GLU A 78 -10.996 21.610 3.773 1.00 43.54 N ATOM 1188 CA GLU A 78 -11.517 22.915 4.164 1.00 24.02 C ATOM 1189 C GLU A 78 -11.748 23.798 2.941 1.00 20.42 C ATOM 1190 O GLU A 78 -11.229 23.545 1.855 1.00 40.41 O ATOM 1191 CB GLU A 78 -10.551 23.605 5.130 1.00 44.32 C ATOM 1192 CG GLU A 78 -9.093 23.253 4.887 1.00 2.44 C ATOM 1193 CD GLU A 78 -8.155 23.953 5.852 1.00 33.31 C ATOM 1194 OE1 GLU A 78 -8.645 24.740 6.689 1.00 32.03 O ATOM 1195 OE2 GLU A 78 -6.932 23.715 5.770 1.00 11.12 O ATOM 0 H GLU A 78 -10.021 21.617 3.472 1.00 43.54 H new ATOM 0 HA GLU A 78 -12.473 22.761 4.665 1.00 24.02 H new ATOM 0 HB2 GLU A 78 -10.675 24.685 5.045 1.00 44.32 H new ATOM 0 HB3 GLU A 78 -10.816 23.333 6.152 1.00 44.32 H new ATOM 0 HG2 GLU A 78 -8.963 22.175 4.978 1.00 2.44 H new ATOM 0 HG3 GLU A 78 -8.824 23.521 3.865 1.00 2.44 H new ATOM 1202 N PRO A 79 -12.549 24.860 3.122 1.00 62.33 N ATOM 1203 CA PRO A 79 -12.869 25.801 2.045 1.00 5.34 C ATOM 1204 C PRO A 79 -11.668 26.651 1.644 1.00 50.44 C ATOM 1205 O PRO A 79 -11.506 27.777 2.117 1.00 1.24 O ATOM 1206 CB PRO A 79 -13.964 26.678 2.656 1.00 54.41 C ATOM 1207 CG PRO A 79 -13.737 26.602 4.126 1.00 5.41 C ATOM 1208 CD PRO A 79 -13.202 25.221 4.391 1.00 54.34 C ATOM 0 HA PRO A 79 -13.173 25.289 1.132 1.00 5.34 H new ATOM 0 HB2 PRO A 79 -13.894 27.705 2.298 1.00 54.41 H new ATOM 0 HB3 PRO A 79 -14.956 26.314 2.390 1.00 54.41 H new ATOM 0 HG2 PRO A 79 -13.029 27.364 4.452 1.00 5.41 H new ATOM 0 HG3 PRO A 79 -14.664 26.773 4.674 1.00 5.41 H new ATOM 0 HD2 PRO A 79 -12.496 25.216 5.222 1.00 54.34 H new ATOM 0 HD3 PRO A 79 -13.999 24.523 4.646 1.00 54.34 H new ATOM 1216 N ILE A 80 -10.829 26.107 0.769 1.00 50.32 N ATOM 1217 CA ILE A 80 -9.645 26.817 0.303 1.00 71.05 C ATOM 1218 C ILE A 80 -10.014 27.904 -0.701 1.00 31.24 C ATOM 1219 O ILE A 80 -10.462 27.614 -1.810 1.00 43.14 O ATOM 1220 CB ILE A 80 -8.633 25.856 -0.348 1.00 64.15 C ATOM 1221 CG1 ILE A 80 -8.430 24.621 0.531 1.00 34.20 C ATOM 1222 CG2 ILE A 80 -7.307 26.565 -0.587 1.00 72.41 C ATOM 1223 CD1 ILE A 80 -7.823 24.932 1.881 1.00 30.40 C ATOM 0 H ILE A 80 -10.948 25.176 0.369 1.00 50.32 H new ATOM 0 HA ILE A 80 -9.187 27.276 1.179 1.00 71.05 H new ATOM 0 HB ILE A 80 -9.030 25.533 -1.310 1.00 64.15 H new ATOM 0 HG12 ILE A 80 -9.391 24.129 0.679 1.00 34.20 H new ATOM 0 HG13 ILE A 80 -7.787 23.914 0.007 1.00 34.20 H new ATOM 0 HG21 ILE A 80 -6.602 25.873 -1.048 1.00 72.41 H new ATOM 0 HG22 ILE A 80 -7.464 27.417 -1.249 1.00 72.41 H new ATOM 0 HG23 ILE A 80 -6.904 26.914 0.364 1.00 72.41 H new ATOM 0 HD11 ILE A 80 -7.708 24.009 2.450 1.00 30.40 H new ATOM 0 HD12 ILE A 80 -6.847 25.397 1.743 1.00 30.40 H new ATOM 0 HD13 ILE A 80 -8.476 25.615 2.425 1.00 30.40 H new ATOM 1235 N LYS A 81 -9.824 29.157 -0.303 1.00 44.45 N ATOM 1236 CA LYS A 81 -10.133 30.290 -1.168 1.00 12.32 C ATOM 1237 C LYS A 81 -9.098 30.427 -2.278 1.00 62.24 C ATOM 1238 O LYS A 81 -7.926 30.699 -2.017 1.00 61.43 O ATOM 1239 CB LYS A 81 -10.192 31.582 -0.349 1.00 52.42 C ATOM 1240 CG LYS A 81 -10.580 32.802 -1.165 1.00 53.43 C ATOM 1241 CD LYS A 81 -11.928 33.356 -0.734 1.00 14.11 C ATOM 1242 CE LYS A 81 -11.796 34.261 0.481 1.00 1.13 C ATOM 1243 NZ LYS A 81 -12.984 35.142 0.649 1.00 74.22 N ATOM 0 H LYS A 81 -9.457 29.414 0.613 1.00 44.45 H new ATOM 0 HA LYS A 81 -11.106 30.111 -1.624 1.00 12.32 H new ATOM 0 HB2 LYS A 81 -10.908 31.455 0.463 1.00 52.42 H new ATOM 0 HB3 LYS A 81 -9.219 31.756 0.109 1.00 52.42 H new ATOM 0 HG2 LYS A 81 -9.817 33.572 -1.054 1.00 53.43 H new ATOM 0 HG3 LYS A 81 -10.615 32.538 -2.222 1.00 53.43 H new ATOM 0 HD2 LYS A 81 -12.374 33.914 -1.558 1.00 14.11 H new ATOM 0 HD3 LYS A 81 -12.604 32.533 -0.504 1.00 14.11 H new ATOM 0 HE2 LYS A 81 -11.667 33.651 1.375 1.00 1.13 H new ATOM 0 HE3 LYS A 81 -10.900 34.874 0.381 1.00 1.13 H new ATOM 0 HZ1 LYS A 81 -12.733 35.953 1.249 1.00 74.22 H new ATOM 0 HZ2 LYS A 81 -13.297 35.484 -0.282 1.00 74.22 H new ATOM 0 HZ3 LYS A 81 -13.754 34.605 1.097 1.00 74.22 H new ATOM 1257 N SER A 82 -9.537 30.236 -3.519 1.00 10.44 N ATOM 1258 CA SER A 82 -8.646 30.336 -4.669 1.00 34.10 C ATOM 1259 C SER A 82 -9.275 31.186 -5.770 1.00 21.10 C ATOM 1260 O SER A 82 -10.331 31.787 -5.578 1.00 61.31 O ATOM 1261 CB SER A 82 -8.319 28.943 -5.209 1.00 31.32 C ATOM 1262 OG SER A 82 -7.240 28.992 -6.125 1.00 44.13 O ATOM 0 H SER A 82 -10.504 30.011 -3.753 1.00 10.44 H new ATOM 0 HA SER A 82 -7.724 30.818 -4.343 1.00 34.10 H new ATOM 0 HB2 SER A 82 -8.068 28.279 -4.382 1.00 31.32 H new ATOM 0 HB3 SER A 82 -9.198 28.524 -5.699 1.00 31.32 H new ATOM 0 HG SER A 82 -6.626 29.711 -5.868 1.00 44.13 H new ATOM 1268 N GLU A 83 -8.615 31.230 -6.923 1.00 11.33 N ATOM 1269 CA GLU A 83 -9.108 32.007 -8.055 1.00 5.13 C ATOM 1270 C GLU A 83 -10.495 31.535 -8.476 1.00 34.52 C ATOM 1271 O GLU A 83 -11.267 32.288 -9.069 1.00 53.43 O ATOM 1272 CB GLU A 83 -8.140 31.900 -9.235 1.00 5.12 C ATOM 1273 CG GLU A 83 -7.966 30.483 -9.752 1.00 64.45 C ATOM 1274 CD GLU A 83 -6.849 30.367 -10.772 1.00 23.43 C ATOM 1275 OE1 GLU A 83 -7.074 30.739 -11.943 1.00 65.41 O ATOM 1276 OE2 GLU A 83 -5.751 29.904 -10.400 1.00 5.04 O ATOM 0 H GLU A 83 -7.739 30.738 -7.098 1.00 11.33 H new ATOM 0 HA GLU A 83 -9.177 33.050 -7.745 1.00 5.13 H new ATOM 0 HB2 GLU A 83 -8.499 32.533 -10.047 1.00 5.12 H new ATOM 0 HB3 GLU A 83 -7.168 32.290 -8.933 1.00 5.12 H new ATOM 0 HG2 GLU A 83 -7.758 29.817 -8.914 1.00 64.45 H new ATOM 0 HG3 GLU A 83 -8.900 30.147 -10.202 1.00 64.45 H new ATOM 1283 N PHE A 84 -10.807 30.280 -8.166 1.00 22.12 N ATOM 1284 CA PHE A 84 -12.101 29.704 -8.513 1.00 42.41 C ATOM 1285 C PHE A 84 -13.070 29.798 -7.339 1.00 52.53 C ATOM 1286 O PHE A 84 -14.286 29.722 -7.516 1.00 62.01 O ATOM 1287 CB PHE A 84 -11.935 28.243 -8.938 1.00 14.40 C ATOM 1288 CG PHE A 84 -10.838 28.031 -9.941 1.00 21.42 C ATOM 1289 CD1 PHE A 84 -10.847 28.707 -11.150 1.00 4.23 C ATOM 1290 CD2 PHE A 84 -9.798 27.155 -9.675 1.00 30.32 C ATOM 1291 CE1 PHE A 84 -9.837 28.514 -12.075 1.00 13.41 C ATOM 1292 CE2 PHE A 84 -8.787 26.958 -10.596 1.00 2.12 C ATOM 1293 CZ PHE A 84 -8.808 27.637 -11.798 1.00 4.32 C ATOM 0 H PHE A 84 -10.180 29.642 -7.675 1.00 22.12 H new ATOM 0 HA PHE A 84 -12.513 30.273 -9.347 1.00 42.41 H new ATOM 0 HB2 PHE A 84 -11.731 27.637 -8.055 1.00 14.40 H new ATOM 0 HB3 PHE A 84 -12.875 27.886 -9.359 1.00 14.40 H new ATOM 0 HD1 PHE A 84 -11.651 29.392 -11.373 1.00 4.23 H new ATOM 0 HD2 PHE A 84 -9.777 26.620 -8.737 1.00 30.32 H new ATOM 0 HE1 PHE A 84 -9.854 29.049 -13.013 1.00 13.41 H new ATOM 0 HE2 PHE A 84 -7.981 26.274 -10.376 1.00 2.12 H new ATOM 0 HZ PHE A 84 -8.020 27.482 -12.520 1.00 4.32 H new ATOM 1303 N GLY A 85 -12.523 29.965 -6.139 1.00 74.41 N ATOM 1304 CA GLY A 85 -13.353 30.066 -4.953 1.00 21.31 C ATOM 1305 C GLY A 85 -12.967 29.058 -3.887 1.00 50.25 C ATOM 1306 O GLY A 85 -11.809 28.648 -3.802 1.00 34.31 O ATOM 0 H GLY A 85 -11.520 30.032 -5.967 1.00 74.41 H new ATOM 0 HA2 GLY A 85 -13.274 31.073 -4.542 1.00 21.31 H new ATOM 0 HA3 GLY A 85 -14.397 29.916 -5.230 1.00 21.31 H new ATOM 1310 N TYR A 86 -13.938 28.660 -3.074 1.00 31.12 N ATOM 1311 CA TYR A 86 -13.693 27.697 -2.005 1.00 52.24 C ATOM 1312 C TYR A 86 -13.679 26.272 -2.550 1.00 12.12 C ATOM 1313 O TYR A 86 -14.664 25.803 -3.123 1.00 10.44 O ATOM 1314 CB TYR A 86 -14.760 27.829 -0.918 1.00 30.42 C ATOM 1315 CG TYR A 86 -14.698 29.138 -0.163 1.00 65.45 C ATOM 1316 CD1 TYR A 86 -13.541 29.524 0.503 1.00 22.44 C ATOM 1317 CD2 TYR A 86 -15.794 29.989 -0.116 1.00 70.34 C ATOM 1318 CE1 TYR A 86 -13.478 30.718 1.194 1.00 30.01 C ATOM 1319 CE2 TYR A 86 -15.741 31.186 0.571 1.00 43.55 C ATOM 1320 CZ TYR A 86 -14.581 31.546 1.225 1.00 42.22 C ATOM 1321 OH TYR A 86 -14.524 32.737 1.911 1.00 33.13 O ATOM 0 H TYR A 86 -14.902 28.988 -3.134 1.00 31.12 H new ATOM 0 HA TYR A 86 -12.716 27.911 -1.573 1.00 52.24 H new ATOM 0 HB2 TYR A 86 -15.745 27.729 -1.374 1.00 30.42 H new ATOM 0 HB3 TYR A 86 -14.650 27.006 -0.211 1.00 30.42 H new ATOM 0 HD1 TYR A 86 -12.675 28.879 0.480 1.00 22.44 H new ATOM 0 HD2 TYR A 86 -16.704 29.710 -0.626 1.00 70.34 H new ATOM 0 HE1 TYR A 86 -12.571 31.002 1.707 1.00 30.01 H new ATOM 0 HE2 TYR A 86 -16.603 31.836 0.596 1.00 43.55 H new ATOM 0 HH TYR A 86 -15.384 33.201 1.833 1.00 33.13 H new ATOM 1331 N HIS A 87 -12.556 25.587 -2.366 1.00 64.12 N ATOM 1332 CA HIS A 87 -12.411 24.213 -2.837 1.00 52.32 C ATOM 1333 C HIS A 87 -12.645 23.222 -1.700 1.00 40.34 C ATOM 1334 O HIS A 87 -12.015 23.312 -0.646 1.00 20.00 O ATOM 1335 CB HIS A 87 -11.021 24.001 -3.437 1.00 74.42 C ATOM 1336 CG HIS A 87 -10.818 24.709 -4.741 1.00 65.12 C ATOM 1337 ND1 HIS A 87 -11.002 24.100 -5.964 1.00 43.32 N ATOM 1338 CD2 HIS A 87 -10.443 25.982 -5.008 1.00 31.33 C ATOM 1339 CE1 HIS A 87 -10.749 24.968 -6.927 1.00 51.32 C ATOM 1340 NE2 HIS A 87 -10.408 26.119 -6.373 1.00 71.23 N ATOM 0 H HIS A 87 -11.732 25.960 -1.894 1.00 64.12 H new ATOM 0 HA HIS A 87 -13.161 24.038 -3.608 1.00 52.32 H new ATOM 0 HB2 HIS A 87 -10.271 24.345 -2.725 1.00 74.42 H new ATOM 0 HB3 HIS A 87 -10.856 22.933 -3.583 1.00 74.42 H new ATOM 0 HD1 HIS A 87 -11.289 23.131 -6.103 1.00 43.32 H new ATOM 0 HD2 HIS A 87 -10.214 26.748 -4.282 1.00 31.33 H new ATOM 0 HE1 HIS A 87 -10.810 24.771 -7.987 1.00 51.32 H new ATOM 1348 N ILE A 88 -13.554 22.279 -1.922 1.00 33.42 N ATOM 1349 CA ILE A 88 -13.870 21.272 -0.917 1.00 61.33 C ATOM 1350 C ILE A 88 -13.539 19.871 -1.420 1.00 35.02 C ATOM 1351 O ILE A 88 -14.387 19.193 -2.000 1.00 62.42 O ATOM 1352 CB ILE A 88 -15.356 21.323 -0.516 1.00 11.34 C ATOM 1353 CG1 ILE A 88 -15.703 22.697 0.062 1.00 31.32 C ATOM 1354 CG2 ILE A 88 -15.672 20.225 0.488 1.00 21.02 C ATOM 1355 CD1 ILE A 88 -14.891 23.060 1.287 1.00 52.45 C ATOM 0 H ILE A 88 -14.085 22.191 -2.789 1.00 33.42 H new ATOM 0 HA ILE A 88 -13.259 21.496 -0.043 1.00 61.33 H new ATOM 0 HB ILE A 88 -15.963 21.160 -1.406 1.00 11.34 H new ATOM 0 HG12 ILE A 88 -15.547 23.455 -0.705 1.00 31.32 H new ATOM 0 HG13 ILE A 88 -16.762 22.717 0.319 1.00 31.32 H new ATOM 0 HG21 ILE A 88 -16.726 20.274 0.761 1.00 21.02 H new ATOM 0 HG22 ILE A 88 -15.458 19.253 0.044 1.00 21.02 H new ATOM 0 HG23 ILE A 88 -15.059 20.360 1.379 1.00 21.02 H new ATOM 0 HD11 ILE A 88 -15.190 24.046 1.643 1.00 52.45 H new ATOM 0 HD12 ILE A 88 -15.066 22.323 2.071 1.00 52.45 H new ATOM 0 HD13 ILE A 88 -13.832 23.073 1.031 1.00 52.45 H new ATOM 1367 N ILE A 89 -12.302 19.443 -1.192 1.00 20.43 N ATOM 1368 CA ILE A 89 -11.861 18.121 -1.619 1.00 21.33 C ATOM 1369 C ILE A 89 -12.256 17.054 -0.604 1.00 0.32 C ATOM 1370 O ILE A 89 -12.113 17.248 0.604 1.00 22.32 O ATOM 1371 CB ILE A 89 -10.335 18.077 -1.826 1.00 22.43 C ATOM 1372 CG1 ILE A 89 -9.869 19.302 -2.614 1.00 51.42 C ATOM 1373 CG2 ILE A 89 -9.934 16.796 -2.542 1.00 60.03 C ATOM 1374 CD1 ILE A 89 -9.286 20.395 -1.745 1.00 32.30 C ATOM 0 H ILE A 89 -11.588 19.992 -0.714 1.00 20.43 H new ATOM 0 HA ILE A 89 -12.355 17.915 -2.569 1.00 21.33 H new ATOM 0 HB ILE A 89 -9.851 18.091 -0.850 1.00 22.43 H new ATOM 0 HG12 ILE A 89 -9.121 18.991 -3.343 1.00 51.42 H new ATOM 0 HG13 ILE A 89 -10.712 19.706 -3.174 1.00 51.42 H new ATOM 0 HG21 ILE A 89 -8.853 16.780 -2.681 1.00 60.03 H new ATOM 0 HG22 ILE A 89 -10.236 15.936 -1.945 1.00 60.03 H new ATOM 0 HG23 ILE A 89 -10.425 16.753 -3.514 1.00 60.03 H new ATOM 0 HD11 ILE A 89 -8.977 21.232 -2.371 1.00 32.30 H new ATOM 0 HD12 ILE A 89 -10.038 20.733 -1.032 1.00 32.30 H new ATOM 0 HD13 ILE A 89 -8.422 20.008 -1.204 1.00 32.30 H new ATOM 1386 N LYS A 90 -12.752 15.927 -1.101 1.00 1.12 N ATOM 1387 CA LYS A 90 -13.166 14.826 -0.239 1.00 21.01 C ATOM 1388 C LYS A 90 -12.732 13.485 -0.822 1.00 74.00 C ATOM 1389 O LYS A 90 -13.138 13.117 -1.925 1.00 4.21 O ATOM 1390 CB LYS A 90 -14.685 14.845 -0.047 1.00 23.31 C ATOM 1391 CG LYS A 90 -15.199 13.722 0.837 1.00 2.25 C ATOM 1392 CD LYS A 90 -16.692 13.507 0.653 1.00 31.05 C ATOM 1393 CE LYS A 90 -17.129 12.151 1.186 1.00 60.24 C ATOM 1394 NZ LYS A 90 -18.569 11.887 0.914 1.00 14.14 N ATOM 0 H LYS A 90 -12.877 15.751 -2.098 1.00 1.12 H new ATOM 0 HA LYS A 90 -12.682 14.954 0.729 1.00 21.01 H new ATOM 0 HB2 LYS A 90 -14.976 15.801 0.388 1.00 23.31 H new ATOM 0 HB3 LYS A 90 -15.167 14.778 -1.022 1.00 23.31 H new ATOM 0 HG2 LYS A 90 -14.666 12.800 0.603 1.00 2.25 H new ATOM 0 HG3 LYS A 90 -14.990 13.955 1.881 1.00 2.25 H new ATOM 0 HD2 LYS A 90 -17.241 14.296 1.168 1.00 31.05 H new ATOM 0 HD3 LYS A 90 -16.944 13.582 -0.405 1.00 31.05 H new ATOM 0 HE2 LYS A 90 -16.523 11.369 0.729 1.00 60.24 H new ATOM 0 HE3 LYS A 90 -16.948 12.107 2.260 1.00 60.24 H new ATOM 0 HZ1 LYS A 90 -18.862 11.020 1.407 1.00 14.14 H new ATOM 0 HZ2 LYS A 90 -19.139 12.688 1.253 1.00 14.14 H new ATOM 0 HZ3 LYS A 90 -18.713 11.769 -0.109 1.00 14.14 H new ATOM 1408 N ARG A 91 -11.908 12.759 -0.076 1.00 22.35 N ATOM 1409 CA ARG A 91 -11.419 11.458 -0.519 1.00 15.21 C ATOM 1410 C ARG A 91 -12.548 10.431 -0.532 1.00 22.24 C ATOM 1411 O ARG A 91 -13.459 10.484 0.294 1.00 71.21 O ATOM 1412 CB ARG A 91 -10.287 10.977 0.390 1.00 54.41 C ATOM 1413 CG ARG A 91 -9.871 9.539 0.134 1.00 22.13 C ATOM 1414 CD ARG A 91 -8.493 9.247 0.709 1.00 62.31 C ATOM 1415 NE ARG A 91 -8.285 7.819 0.935 1.00 14.35 N ATOM 1416 CZ ARG A 91 -7.210 7.319 1.533 1.00 2.35 C ATOM 1417 NH1 ARG A 91 -6.250 8.126 1.964 1.00 55.31 N ATOM 1418 NH2 ARG A 91 -7.093 6.008 1.703 1.00 13.44 N ATOM 0 H ARG A 91 -11.564 13.049 0.839 1.00 22.35 H new ATOM 0 HA ARG A 91 -11.037 11.567 -1.534 1.00 15.21 H new ATOM 0 HB2 ARG A 91 -9.422 11.626 0.254 1.00 54.41 H new ATOM 0 HB3 ARG A 91 -10.600 11.076 1.429 1.00 54.41 H new ATOM 0 HG2 ARG A 91 -10.602 8.863 0.577 1.00 22.13 H new ATOM 0 HG3 ARG A 91 -9.867 9.346 -0.939 1.00 22.13 H new ATOM 0 HD2 ARG A 91 -7.729 9.621 0.027 1.00 62.31 H new ATOM 0 HD3 ARG A 91 -8.371 9.784 1.650 1.00 62.31 H new ATOM 0 HE ARG A 91 -9.005 7.170 0.616 1.00 14.35 H new ATOM 0 HH11 ARG A 91 -6.336 9.134 1.837 1.00 55.31 H new ATOM 0 HH12 ARG A 91 -5.426 7.738 2.423 1.00 55.31 H new ATOM 0 HH21 ARG A 91 -7.829 5.383 1.374 1.00 13.44 H new ATOM 0 HH22 ARG A 91 -6.267 5.625 2.162 1.00 13.44 H new ATOM 1432 N PHE A 92 -12.478 9.496 -1.474 1.00 1.51 N ATOM 1433 CA PHE A 92 -13.494 8.457 -1.596 1.00 42.10 C ATOM 1434 C PHE A 92 -12.870 7.070 -1.473 1.00 22.05 C ATOM 1435 O PHE A 92 -13.497 6.137 -0.972 1.00 31.12 O ATOM 1436 CB PHE A 92 -14.225 8.582 -2.934 1.00 42.41 C ATOM 1437 CG PHE A 92 -15.404 9.512 -2.889 1.00 33.43 C ATOM 1438 CD1 PHE A 92 -15.250 10.828 -2.484 1.00 40.11 C ATOM 1439 CD2 PHE A 92 -16.666 9.068 -3.249 1.00 15.34 C ATOM 1440 CE1 PHE A 92 -16.333 11.686 -2.441 1.00 32.11 C ATOM 1441 CE2 PHE A 92 -17.752 9.922 -3.209 1.00 32.42 C ATOM 1442 CZ PHE A 92 -17.586 11.232 -2.803 1.00 31.43 C ATOM 0 H PHE A 92 -11.729 9.437 -2.164 1.00 1.51 H new ATOM 0 HA PHE A 92 -14.211 8.588 -0.785 1.00 42.10 H new ATOM 0 HB2 PHE A 92 -13.524 8.934 -3.691 1.00 42.41 H new ATOM 0 HB3 PHE A 92 -14.563 7.594 -3.248 1.00 42.41 H new ATOM 0 HD1 PHE A 92 -14.272 11.188 -2.199 1.00 40.11 H new ATOM 0 HD2 PHE A 92 -16.803 8.044 -3.564 1.00 15.34 H new ATOM 0 HE1 PHE A 92 -16.199 12.710 -2.125 1.00 32.11 H new ATOM 0 HE2 PHE A 92 -18.730 9.565 -3.495 1.00 32.42 H new ATOM 0 HZ PHE A 92 -18.434 11.900 -2.769 1.00 31.43 H new ATOM 1452 N GLY A 93 -11.629 6.942 -1.934 1.00 1.25 N ATOM 1453 CA GLY A 93 -10.940 5.666 -1.867 1.00 40.10 C ATOM 1454 C GLY A 93 -10.952 5.074 -0.472 1.00 63.40 C ATOM 1455 O GLY A 93 -9.949 5.124 0.239 1.00 3.43 O ATOM 0 H GLY A 93 -11.089 7.699 -2.353 1.00 1.25 H new ATOM 0 HA2 GLY A 93 -11.409 4.967 -2.559 1.00 40.10 H new ATOM 0 HA3 GLY A 93 -9.909 5.796 -2.195 1.00 40.10 H new