USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 976 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 5 MET CE :methyl 167:sc= -0.2 (180deg=-0.708) USER MOD Set 1.2: A 35 CYS SG : rot -92:sc= 0.516 USER MOD Set 1.3: A 69 ASN : amide:sc= 0.428 K(o=0.88,f=-0.087) USER MOD Set 1.4: A 73 TYR OH : rot 30:sc= 0.138 USER MOD Set 2.1: A 11 ASN : amide:sc= 0.232 K(o=1.8,f=-2.7!) USER MOD Set 2.2: A 15 SER OG : rot 70:sc= 0.225 USER MOD Set 2.3: A 16 GLN : amide:sc= 0.0315 K(o=1.8,f=-2!) USER MOD Set 2.4: A 34 SER OG : rot -170:sc= 0.397 USER MOD Set 2.5: A 62 SER OG : rot -117:sc= 0.951 USER MOD Set 3.1: A 12 SER OG : rot 160:sc= 0.232 USER MOD Set 3.2: A 13 CYS SG : rot -61:sc= 0.283 USER MOD Single : A 1 MET CE :methyl -158:sc= -0.0506 (180deg=-0.519) USER MOD Single : A 1 MET N :NH3+ 137:sc= 1.24 (180deg=0.226) USER MOD Single : A 2 LYS NZ :NH3+ -167:sc= 1.27 (180deg=1.15) USER MOD Single : A 3 LYS NZ :NH3+ -164:sc= 0.933 (180deg=0.646) USER MOD Single : A 8 CYS SG : rot 57:sc= 0.751 USER MOD Single : A 9 LYS NZ :NH3+ 174:sc= 1.27 (180deg=1.17) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 175:sc= 0.916 (180deg=0.901) USER MOD Single : A 24 THR OG1 : rot 93:sc= 0.678 USER MOD Single : A 29 LYS NZ :NH3+ -175:sc= 0.969 (180deg=0.948) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 130:sc= 0 USER MOD Single : A 40 SER OG : rot -161:sc= 0.716 USER MOD Single : A 43 HIS : no HD1:sc= 0.544 K(o=0.54,f=-3.3!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 170:sc= -0.483 (180deg=-0.772) USER MOD Single : A 50 MET CE :methyl -143:sc= -0.195 (180deg=-2.74) USER MOD Single : A 58 SER OG : rot -52:sc= 1.16 USER MOD Single : A 60 GLN : amide:sc= 0.706 K(o=0.71,f=-4.1!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.741 K(o=0.74,f=-0.14) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.0197 X(o=-0.02,f=-0.02) USER MOD Single : A 92 THR OG1 : rot -36:sc= 0.231 USER MOD Single : A 93 GLN : amide:sc= 0.971 K(o=0.97,f=-0.18) USER MOD Single : A 100 GLN : amide:sc= 1.03 K(o=1,f=-1.1) USER MOD Single : A 107 GLN : amide:sc= 0.322 K(o=0.32,f=-0.89) USER MOD Single : A 108 SER OG : rot 180:sc= 0.0448 USER MOD Single : A 114 THR OG1 : rot 75:sc= 1.07 USER MOD Single : A 118 GLN : amide:sc= 1 K(o=1,f=-0.45) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= 1 K(o=1,f=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 39:sc= 0.13 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.158 -0.131 1.474 1.00 0.00 N ATOM 2 CA MET A 1 2.579 0.014 0.050 1.00 0.00 C ATOM 3 C MET A 1 2.562 1.483 -0.386 1.00 0.00 C ATOM 4 O MET A 1 1.518 2.129 -0.301 1.00 0.00 O ATOM 5 CB MET A 1 1.732 -0.859 -0.902 1.00 0.00 C ATOM 6 CG MET A 1 2.333 -0.903 -2.316 1.00 0.00 C ATOM 7 SD MET A 1 1.412 -1.993 -3.438 1.00 0.00 S ATOM 8 CE MET A 1 2.654 -2.219 -4.736 1.00 0.00 C ATOM 0 H1 MET A 1 1.511 -0.940 1.564 1.00 0.00 H new ATOM 0 H2 MET A 1 2.996 -0.290 2.069 1.00 0.00 H new ATOM 0 H3 MET A 1 1.673 0.736 1.783 1.00 0.00 H new ATOM 0 HA MET A 1 3.605 -0.347 -0.015 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.664 -1.871 -0.504 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.716 -0.466 -0.950 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.351 0.105 -2.730 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.367 -1.241 -2.256 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.162 -2.517 -5.662 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.190 -1.283 -4.894 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.359 -2.994 -4.434 1.00 0.00 H new ATOM 18 N LYS A 2 3.702 2.004 -0.866 1.00 0.00 N ATOM 19 CA LYS A 2 3.860 3.371 -1.424 1.00 0.00 C ATOM 20 C LYS A 2 4.573 3.355 -2.786 1.00 0.00 C ATOM 21 O LYS A 2 5.198 2.359 -3.144 1.00 0.00 O ATOM 22 CB LYS A 2 4.555 4.269 -0.376 1.00 0.00 C ATOM 23 CG LYS A 2 3.602 4.564 0.798 1.00 0.00 C ATOM 24 CD LYS A 2 4.209 5.488 1.863 1.00 0.00 C ATOM 25 CE LYS A 2 3.179 5.693 2.986 1.00 0.00 C ATOM 26 NZ LYS A 2 3.707 6.558 4.074 1.00 0.00 N ATOM 0 H LYS A 2 4.573 1.473 -0.880 1.00 0.00 H new ATOM 0 HA LYS A 2 2.878 3.797 -1.629 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.455 3.778 -0.007 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.870 5.204 -0.840 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.691 5.019 0.410 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.314 3.623 1.267 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.123 5.051 2.265 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.481 6.446 1.421 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.276 6.141 2.572 1.00 0.00 H new ATOM 0 HE3 LYS A 2 2.894 4.725 3.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 3.081 6.495 4.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.662 6.241 4.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.747 7.544 3.745 1.00 0.00 H new ATOM 40 N LYS A 3 4.455 4.432 -3.568 1.00 0.00 N ATOM 41 CA LYS A 3 5.016 4.554 -4.933 1.00 0.00 C ATOM 42 C LYS A 3 6.286 5.407 -4.936 1.00 0.00 C ATOM 43 O LYS A 3 6.344 6.440 -4.275 1.00 0.00 O ATOM 44 CB LYS A 3 3.972 5.081 -5.946 1.00 0.00 C ATOM 45 CG LYS A 3 2.744 4.163 -6.133 1.00 0.00 C ATOM 46 CD LYS A 3 1.607 4.286 -5.101 1.00 0.00 C ATOM 47 CE LYS A 3 1.005 5.696 -5.094 1.00 0.00 C ATOM 48 NZ LYS A 3 0.214 5.962 -3.861 1.00 0.00 N ATOM 0 H LYS A 3 3.955 5.269 -3.269 1.00 0.00 H new ATOM 0 HA LYS A 3 5.291 3.551 -5.259 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.630 6.063 -5.619 1.00 0.00 H new ATOM 0 HB3 LYS A 3 4.458 5.218 -6.912 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.326 4.356 -7.121 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.092 3.130 -6.131 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.828 3.558 -5.328 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.988 4.047 -4.108 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.805 6.432 -5.176 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.366 5.821 -5.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.388 6.797 -4.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.383 5.138 -3.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.860 6.137 -3.065 1.00 0.00 H new ATOM 62 N VAL A 4 7.283 4.988 -5.712 1.00 0.00 N ATOM 63 CA VAL A 4 8.587 5.672 -5.860 1.00 0.00 C ATOM 64 C VAL A 4 8.850 5.993 -7.330 1.00 0.00 C ATOM 65 O VAL A 4 8.558 5.189 -8.212 1.00 0.00 O ATOM 66 CB VAL A 4 9.757 4.883 -5.233 1.00 0.00 C ATOM 67 CG1 VAL A 4 11.041 5.721 -5.158 1.00 0.00 C ATOM 68 CG2 VAL A 4 9.438 4.390 -3.819 1.00 0.00 C ATOM 0 H VAL A 4 7.215 4.140 -6.275 1.00 0.00 H new ATOM 0 HA VAL A 4 8.527 6.606 -5.301 1.00 0.00 H new ATOM 0 HB VAL A 4 9.908 4.028 -5.892 1.00 0.00 H new ATOM 0 HG11 VAL A 4 11.838 5.127 -4.711 1.00 0.00 H new ATOM 0 HG12 VAL A 4 11.336 6.026 -6.162 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.862 6.606 -4.548 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.293 3.841 -3.423 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.225 5.244 -3.175 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.568 3.733 -3.850 1.00 0.00 H new ATOM 78 N MET A 5 9.423 7.163 -7.601 1.00 0.00 N ATOM 79 CA MET A 5 9.760 7.607 -8.954 1.00 0.00 C ATOM 80 C MET A 5 11.162 8.204 -8.978 1.00 0.00 C ATOM 81 O MET A 5 11.512 9.030 -8.138 1.00 0.00 O ATOM 82 CB MET A 5 8.686 8.577 -9.465 1.00 0.00 C ATOM 83 CG MET A 5 9.056 9.310 -10.758 1.00 0.00 C ATOM 84 SD MET A 5 9.425 8.286 -12.209 1.00 0.00 S ATOM 85 CE MET A 5 8.040 8.737 -13.285 1.00 0.00 C ATOM 0 H MET A 5 9.670 7.839 -6.879 1.00 0.00 H new ATOM 0 HA MET A 5 9.772 6.756 -9.635 1.00 0.00 H new ATOM 0 HB2 MET A 5 7.762 8.023 -9.628 1.00 0.00 H new ATOM 0 HB3 MET A 5 8.482 9.315 -8.689 1.00 0.00 H new ATOM 0 HG2 MET A 5 8.234 9.978 -11.015 1.00 0.00 H new ATOM 0 HG3 MET A 5 9.925 9.936 -10.556 1.00 0.00 H new ATOM 0 HE1 MET A 5 8.234 8.380 -14.296 1.00 0.00 H new ATOM 0 HE2 MET A 5 7.124 8.282 -12.909 1.00 0.00 H new ATOM 0 HE3 MET A 5 7.928 9.821 -13.298 1.00 0.00 H new ATOM 95 N PHE A 6 11.958 7.787 -9.954 1.00 0.00 N ATOM 96 CA PHE A 6 13.350 8.213 -10.123 1.00 0.00 C ATOM 97 C PHE A 6 13.484 9.231 -11.263 1.00 0.00 C ATOM 98 O PHE A 6 12.934 9.017 -12.341 1.00 0.00 O ATOM 99 CB PHE A 6 14.239 6.977 -10.335 1.00 0.00 C ATOM 100 CG PHE A 6 14.030 5.886 -9.302 1.00 0.00 C ATOM 101 CD1 PHE A 6 14.574 6.003 -8.010 1.00 0.00 C ATOM 102 CD2 PHE A 6 13.220 4.782 -9.615 1.00 0.00 C ATOM 103 CE1 PHE A 6 14.254 5.067 -7.010 1.00 0.00 C ATOM 104 CE2 PHE A 6 12.886 3.855 -8.614 1.00 0.00 C ATOM 105 CZ PHE A 6 13.385 4.007 -7.308 1.00 0.00 C ATOM 0 H PHE A 6 11.651 7.128 -10.669 1.00 0.00 H new ATOM 0 HA PHE A 6 13.685 8.722 -9.219 1.00 0.00 H new ATOM 0 HB2 PHE A 6 14.045 6.567 -11.326 1.00 0.00 H new ATOM 0 HB3 PHE A 6 15.284 7.286 -10.317 1.00 0.00 H new ATOM 0 HD1 PHE A 6 15.244 6.819 -7.784 1.00 0.00 H new ATOM 0 HD2 PHE A 6 12.855 4.646 -10.622 1.00 0.00 H new ATOM 0 HE1 PHE A 6 14.674 5.164 -6.020 1.00 0.00 H new ATOM 0 HE2 PHE A 6 12.242 3.020 -8.849 1.00 0.00 H new ATOM 0 HZ PHE A 6 13.099 3.308 -6.535 1.00 0.00 H new ATOM 115 N VAL A 7 14.248 10.301 -11.045 1.00 0.00 N ATOM 116 CA VAL A 7 14.656 11.307 -12.041 1.00 0.00 C ATOM 117 C VAL A 7 16.174 11.262 -12.224 1.00 0.00 C ATOM 118 O VAL A 7 16.927 11.357 -11.262 1.00 0.00 O ATOM 119 CB VAL A 7 14.133 12.721 -11.663 1.00 0.00 C ATOM 120 CG1 VAL A 7 15.006 13.880 -12.164 1.00 0.00 C ATOM 121 CG2 VAL A 7 12.752 12.936 -12.282 1.00 0.00 C ATOM 0 H VAL A 7 14.623 10.506 -10.119 1.00 0.00 H new ATOM 0 HA VAL A 7 14.200 11.070 -13.002 1.00 0.00 H new ATOM 0 HB VAL A 7 14.131 12.737 -10.573 1.00 0.00 H new ATOM 0 HG11 VAL A 7 14.565 14.828 -11.854 1.00 0.00 H new ATOM 0 HG12 VAL A 7 16.007 13.790 -11.742 1.00 0.00 H new ATOM 0 HG13 VAL A 7 15.066 13.846 -13.252 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.385 13.928 -12.017 1.00 0.00 H new ATOM 0 HG22 VAL A 7 12.822 12.853 -13.367 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.062 12.181 -11.904 1.00 0.00 H new ATOM 131 N CYS A 8 16.631 11.166 -13.473 1.00 0.00 N ATOM 132 CA CYS A 8 18.038 11.326 -13.867 1.00 0.00 C ATOM 133 C CYS A 8 18.143 12.351 -15.019 1.00 0.00 C ATOM 134 O CYS A 8 17.121 12.842 -15.493 1.00 0.00 O ATOM 135 CB CYS A 8 18.569 9.910 -14.176 1.00 0.00 C ATOM 136 SG CYS A 8 20.378 9.872 -14.310 1.00 0.00 S ATOM 0 H CYS A 8 16.018 10.969 -14.264 1.00 0.00 H new ATOM 0 HA CYS A 8 18.669 11.746 -13.083 1.00 0.00 H new ATOM 0 HB2 CYS A 8 18.250 9.225 -13.391 1.00 0.00 H new ATOM 0 HB3 CYS A 8 18.130 9.554 -15.108 1.00 0.00 H new ATOM 0 HG CYS A 8 20.904 10.319 -13.208 1.00 0.00 H new ATOM 142 N LYS A 9 19.349 12.689 -15.505 1.00 0.00 N ATOM 143 CA LYS A 9 19.531 13.786 -16.493 1.00 0.00 C ATOM 144 C LYS A 9 19.029 13.412 -17.897 1.00 0.00 C ATOM 145 O LYS A 9 18.247 14.159 -18.464 1.00 0.00 O ATOM 146 CB LYS A 9 20.993 14.305 -16.445 1.00 0.00 C ATOM 147 CG LYS A 9 21.116 15.842 -16.459 1.00 0.00 C ATOM 148 CD LYS A 9 20.771 16.566 -17.773 1.00 0.00 C ATOM 149 CE LYS A 9 21.755 16.237 -18.909 1.00 0.00 C ATOM 150 NZ LYS A 9 21.560 17.135 -20.083 1.00 0.00 N ATOM 0 H LYS A 9 20.216 12.224 -15.235 1.00 0.00 H new ATOM 0 HA LYS A 9 18.893 14.623 -16.210 1.00 0.00 H new ATOM 0 HB2 LYS A 9 21.474 13.921 -15.546 1.00 0.00 H new ATOM 0 HB3 LYS A 9 21.539 13.900 -17.297 1.00 0.00 H new ATOM 0 HG2 LYS A 9 20.471 16.239 -15.676 1.00 0.00 H new ATOM 0 HG3 LYS A 9 22.140 16.101 -16.190 1.00 0.00 H new ATOM 0 HD2 LYS A 9 19.762 16.291 -18.081 1.00 0.00 H new ATOM 0 HD3 LYS A 9 20.769 17.642 -17.600 1.00 0.00 H new ATOM 0 HE2 LYS A 9 22.778 16.332 -18.544 1.00 0.00 H new ATOM 0 HE3 LYS A 9 21.622 15.200 -19.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 22.304 16.953 -20.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 20.629 16.953 -20.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 21.611 18.127 -19.774 1.00 0.00 H new ATOM 164 N ARG A 10 19.409 12.228 -18.409 1.00 0.00 N ATOM 165 CA ARG A 10 18.938 11.658 -19.713 1.00 0.00 C ATOM 166 C ARG A 10 18.210 10.304 -19.632 1.00 0.00 C ATOM 167 O ARG A 10 17.983 9.656 -20.646 1.00 0.00 O ATOM 168 CB ARG A 10 20.024 11.767 -20.815 1.00 0.00 C ATOM 169 CG ARG A 10 21.180 10.749 -20.856 1.00 0.00 C ATOM 170 CD ARG A 10 22.096 10.774 -19.625 1.00 0.00 C ATOM 171 NE ARG A 10 23.416 10.150 -19.885 1.00 0.00 N ATOM 172 CZ ARG A 10 24.428 10.077 -19.031 1.00 0.00 C ATOM 173 NH1 ARG A 10 24.308 10.437 -17.789 1.00 0.00 N ATOM 174 NH2 ARG A 10 25.586 9.623 -19.386 1.00 0.00 N ATOM 0 H ARG A 10 20.067 11.616 -17.927 1.00 0.00 H new ATOM 0 HA ARG A 10 18.121 12.305 -20.033 1.00 0.00 H new ATOM 0 HB2 ARG A 10 19.516 11.720 -21.778 1.00 0.00 H new ATOM 0 HB3 ARG A 10 20.468 12.760 -20.737 1.00 0.00 H new ATOM 0 HG2 ARG A 10 20.762 9.748 -20.961 1.00 0.00 H new ATOM 0 HG3 ARG A 10 21.782 10.938 -21.745 1.00 0.00 H new ATOM 0 HD2 ARG A 10 22.242 11.806 -19.306 1.00 0.00 H new ATOM 0 HD3 ARG A 10 21.607 10.252 -18.802 1.00 0.00 H new ATOM 0 HE ARG A 10 23.559 9.738 -20.807 1.00 0.00 H new ATOM 0 HH11 ARG A 10 23.415 10.789 -17.444 1.00 0.00 H new ATOM 0 HH12 ARG A 10 25.107 10.368 -17.159 1.00 0.00 H new ATOM 0 HH21 ARG A 10 25.739 9.310 -20.345 1.00 0.00 H new ATOM 0 HH22 ARG A 10 26.346 9.578 -18.707 1.00 0.00 H new ATOM 188 N ASN A 11 17.850 9.885 -18.411 1.00 0.00 N ATOM 189 CA ASN A 11 17.139 8.631 -18.077 1.00 0.00 C ATOM 190 C ASN A 11 17.794 7.351 -18.635 1.00 0.00 C ATOM 191 O ASN A 11 17.112 6.424 -19.056 1.00 0.00 O ATOM 192 CB ASN A 11 15.639 8.831 -18.408 1.00 0.00 C ATOM 193 CG ASN A 11 14.716 7.743 -17.892 1.00 0.00 C ATOM 194 OD1 ASN A 11 13.892 7.221 -18.618 1.00 0.00 O ATOM 195 ND2 ASN A 11 14.783 7.407 -16.622 1.00 0.00 N ATOM 0 H ASN A 11 18.056 10.439 -17.580 1.00 0.00 H new ATOM 0 HA ASN A 11 17.223 8.435 -17.008 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.316 9.786 -17.995 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.527 8.898 -19.490 1.00 0.00 H new ATOM 0 HD21 ASN A 11 14.143 6.708 -16.245 1.00 0.00 H new ATOM 0 HD22 ASN A 11 15.475 7.846 -16.014 1.00 0.00 H new ATOM 202 N SER A 12 19.128 7.301 -18.657 1.00 0.00 N ATOM 203 CA SER A 12 19.898 6.228 -19.310 1.00 0.00 C ATOM 204 C SER A 12 20.296 5.089 -18.379 1.00 0.00 C ATOM 205 O SER A 12 20.162 3.928 -18.747 1.00 0.00 O ATOM 206 CB SER A 12 21.147 6.857 -19.922 1.00 0.00 C ATOM 207 OG SER A 12 21.802 7.576 -18.884 1.00 0.00 O ATOM 0 H SER A 12 19.715 8.010 -18.218 1.00 0.00 H new ATOM 0 HA SER A 12 19.255 5.774 -20.064 1.00 0.00 H new ATOM 0 HB2 SER A 12 21.803 6.090 -20.333 1.00 0.00 H new ATOM 0 HB3 SER A 12 20.881 7.522 -20.743 1.00 0.00 H new ATOM 0 HG SER A 12 22.740 7.721 -19.128 1.00 0.00 H new ATOM 213 N CYS A 13 20.794 5.404 -17.180 1.00 0.00 N ATOM 214 CA CYS A 13 21.422 4.422 -16.278 1.00 0.00 C ATOM 215 C CYS A 13 20.904 4.460 -14.836 1.00 0.00 C ATOM 216 O CYS A 13 20.150 3.578 -14.444 1.00 0.00 O ATOM 217 CB CYS A 13 22.956 4.550 -16.424 1.00 0.00 C ATOM 218 SG CYS A 13 23.528 6.274 -16.257 1.00 0.00 S ATOM 0 H CYS A 13 20.775 6.351 -16.802 1.00 0.00 H new ATOM 0 HA CYS A 13 21.126 3.418 -16.582 1.00 0.00 H new ATOM 0 HB2 CYS A 13 23.443 3.934 -15.668 1.00 0.00 H new ATOM 0 HB3 CYS A 13 23.260 4.162 -17.396 1.00 0.00 H new ATOM 0 HG CYS A 13 22.987 7.003 -17.188 1.00 0.00 H new ATOM 224 N ARG A 14 21.231 5.480 -14.034 1.00 0.00 N ATOM 225 CA ARG A 14 20.970 5.480 -12.568 1.00 0.00 C ATOM 226 C ARG A 14 19.503 5.297 -12.173 1.00 0.00 C ATOM 227 O ARG A 14 19.197 4.414 -11.389 1.00 0.00 O ATOM 228 CB ARG A 14 21.586 6.751 -11.944 1.00 0.00 C ATOM 229 CG ARG A 14 23.125 6.704 -11.963 1.00 0.00 C ATOM 230 CD ARG A 14 23.768 7.850 -11.171 1.00 0.00 C ATOM 231 NE ARG A 14 23.476 9.169 -11.775 1.00 0.00 N ATOM 232 CZ ARG A 14 24.115 9.763 -12.770 1.00 0.00 C ATOM 233 NH1 ARG A 14 25.211 9.300 -13.269 1.00 0.00 N ATOM 234 NH2 ARG A 14 23.654 10.855 -13.298 1.00 0.00 N ATOM 0 H ARG A 14 21.683 6.331 -14.370 1.00 0.00 H new ATOM 0 HA ARG A 14 21.455 4.593 -12.161 1.00 0.00 H new ATOM 0 HB2 ARG A 14 21.242 7.629 -12.491 1.00 0.00 H new ATOM 0 HB3 ARG A 14 21.237 6.858 -10.917 1.00 0.00 H new ATOM 0 HG2 ARG A 14 23.459 5.752 -11.551 1.00 0.00 H new ATOM 0 HG3 ARG A 14 23.472 6.744 -12.996 1.00 0.00 H new ATOM 0 HD2 ARG A 14 23.402 7.832 -10.144 1.00 0.00 H new ATOM 0 HD3 ARG A 14 24.847 7.701 -11.128 1.00 0.00 H new ATOM 0 HE ARG A 14 22.689 9.681 -11.377 1.00 0.00 H new ATOM 0 HH11 ARG A 14 25.619 8.443 -12.896 1.00 0.00 H new ATOM 0 HH12 ARG A 14 25.670 9.791 -14.036 1.00 0.00 H new ATOM 0 HH21 ARG A 14 22.789 11.266 -12.947 1.00 0.00 H new ATOM 0 HH22 ARG A 14 24.157 11.303 -14.064 1.00 0.00 H new ATOM 248 N SER A 15 18.582 6.040 -12.784 1.00 0.00 N ATOM 249 CA SER A 15 17.123 5.894 -12.547 1.00 0.00 C ATOM 250 C SER A 15 16.585 4.546 -13.041 1.00 0.00 C ATOM 251 O SER A 15 15.732 3.932 -12.409 1.00 0.00 O ATOM 252 CB SER A 15 16.396 7.069 -13.220 1.00 0.00 C ATOM 253 OG SER A 15 16.922 7.247 -14.530 1.00 0.00 O ATOM 0 H SER A 15 18.814 6.766 -13.462 1.00 0.00 H new ATOM 0 HA SER A 15 16.938 5.913 -11.473 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.325 6.872 -13.267 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.527 7.979 -12.634 1.00 0.00 H new ATOM 0 HG SER A 15 16.647 6.497 -15.098 1.00 0.00 H new ATOM 259 N GLN A 16 17.147 4.042 -14.144 1.00 0.00 N ATOM 260 CA GLN A 16 16.747 2.765 -14.767 1.00 0.00 C ATOM 261 C GLN A 16 17.193 1.559 -13.916 1.00 0.00 C ATOM 262 O GLN A 16 16.428 0.617 -13.706 1.00 0.00 O ATOM 263 CB GLN A 16 17.347 2.716 -16.193 1.00 0.00 C ATOM 264 CG GLN A 16 16.862 3.799 -17.184 1.00 0.00 C ATOM 265 CD GLN A 16 15.380 3.748 -17.576 1.00 0.00 C ATOM 266 OE1 GLN A 16 14.529 3.202 -16.896 1.00 0.00 O ATOM 267 NE2 GLN A 16 14.998 4.397 -18.651 1.00 0.00 N ATOM 0 H GLN A 16 17.904 4.512 -14.640 1.00 0.00 H new ATOM 0 HA GLN A 16 15.660 2.706 -14.827 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.431 2.791 -16.110 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.127 1.738 -16.622 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.067 4.777 -16.749 1.00 0.00 H new ATOM 0 HG3 GLN A 16 17.459 3.723 -18.093 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.690 4.863 -19.238 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.009 4.435 -18.899 1.00 0.00 H new ATOM 276 N MET A 17 18.403 1.640 -13.346 1.00 0.00 N ATOM 277 CA MET A 17 18.984 0.651 -12.422 1.00 0.00 C ATOM 278 C MET A 17 18.336 0.730 -11.029 1.00 0.00 C ATOM 279 O MET A 17 18.146 -0.296 -10.387 1.00 0.00 O ATOM 280 CB MET A 17 20.513 0.860 -12.366 1.00 0.00 C ATOM 281 CG MET A 17 21.193 0.626 -13.728 1.00 0.00 C ATOM 282 SD MET A 17 22.838 1.378 -13.900 1.00 0.00 S ATOM 283 CE MET A 17 23.869 0.100 -13.139 1.00 0.00 C ATOM 0 H MET A 17 19.030 2.426 -13.521 1.00 0.00 H new ATOM 0 HA MET A 17 18.780 -0.354 -12.790 1.00 0.00 H new ATOM 0 HB2 MET A 17 20.725 1.874 -12.028 1.00 0.00 H new ATOM 0 HB3 MET A 17 20.942 0.182 -11.629 1.00 0.00 H new ATOM 0 HG2 MET A 17 21.281 -0.448 -13.894 1.00 0.00 H new ATOM 0 HG3 MET A 17 20.546 1.018 -14.513 1.00 0.00 H new ATOM 0 HE1 MET A 17 24.913 0.411 -13.166 1.00 0.00 H new ATOM 0 HE2 MET A 17 23.561 -0.048 -12.104 1.00 0.00 H new ATOM 0 HE3 MET A 17 23.755 -0.834 -13.688 1.00 0.00 H new ATOM 293 N ALA A 18 17.905 1.922 -10.591 1.00 0.00 N ATOM 294 CA ALA A 18 17.134 2.106 -9.351 1.00 0.00 C ATOM 295 C ALA A 18 15.773 1.407 -9.421 1.00 0.00 C ATOM 296 O ALA A 18 15.408 0.687 -8.495 1.00 0.00 O ATOM 297 CB ALA A 18 17.005 3.610 -9.067 1.00 0.00 C ATOM 0 H ALA A 18 18.083 2.793 -11.091 1.00 0.00 H new ATOM 0 HA ALA A 18 17.663 1.637 -8.522 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.435 3.760 -8.150 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.998 4.045 -8.952 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.490 4.094 -9.897 1.00 0.00 H new ATOM 303 N GLU A 19 15.072 1.509 -10.556 1.00 0.00 N ATOM 304 CA GLU A 19 13.871 0.704 -10.816 1.00 0.00 C ATOM 305 C GLU A 19 14.209 -0.794 -10.825 1.00 0.00 C ATOM 306 O GLU A 19 13.470 -1.569 -10.236 1.00 0.00 O ATOM 307 CB GLU A 19 13.216 1.162 -12.127 1.00 0.00 C ATOM 308 CG GLU A 19 11.829 0.537 -12.324 1.00 0.00 C ATOM 309 CD GLU A 19 11.288 0.813 -13.736 1.00 0.00 C ATOM 310 OE1 GLU A 19 10.718 1.902 -13.971 1.00 0.00 O ATOM 311 OE2 GLU A 19 11.439 -0.075 -14.611 1.00 0.00 O ATOM 0 H GLU A 19 15.317 2.145 -11.314 1.00 0.00 H new ATOM 0 HA GLU A 19 13.151 0.856 -10.012 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.128 2.248 -12.128 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.858 0.893 -12.966 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.885 -0.539 -12.158 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.138 0.938 -11.583 1.00 0.00 H new ATOM 318 N GLY A 20 15.354 -1.196 -11.387 1.00 0.00 N ATOM 319 CA GLY A 20 15.871 -2.576 -11.343 1.00 0.00 C ATOM 320 C GLY A 20 15.986 -3.165 -9.939 1.00 0.00 C ATOM 321 O GLY A 20 15.485 -4.258 -9.680 1.00 0.00 O ATOM 0 H GLY A 20 15.965 -0.559 -11.898 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.218 -3.214 -11.939 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.854 -2.597 -11.814 1.00 0.00 H new ATOM 325 N PHE A 21 16.588 -2.448 -8.992 1.00 0.00 N ATOM 326 CA PHE A 21 16.650 -2.924 -7.603 1.00 0.00 C ATOM 327 C PHE A 21 15.305 -2.827 -6.900 1.00 0.00 C ATOM 328 O PHE A 21 14.881 -3.779 -6.253 1.00 0.00 O ATOM 329 CB PHE A 21 17.763 -2.186 -6.854 1.00 0.00 C ATOM 330 CG PHE A 21 19.116 -2.656 -7.321 1.00 0.00 C ATOM 331 CD1 PHE A 21 19.494 -3.989 -7.087 1.00 0.00 C ATOM 332 CD2 PHE A 21 19.963 -1.793 -8.036 1.00 0.00 C ATOM 333 CE1 PHE A 21 20.724 -4.461 -7.564 1.00 0.00 C ATOM 334 CE2 PHE A 21 21.191 -2.272 -8.518 1.00 0.00 C ATOM 335 CZ PHE A 21 21.568 -3.608 -8.285 1.00 0.00 C ATOM 0 H PHE A 21 17.036 -1.546 -9.153 1.00 0.00 H new ATOM 0 HA PHE A 21 16.894 -3.986 -7.611 1.00 0.00 H new ATOM 0 HB2 PHE A 21 17.669 -1.112 -7.017 1.00 0.00 H new ATOM 0 HB3 PHE A 21 17.663 -2.356 -5.782 1.00 0.00 H new ATOM 0 HD1 PHE A 21 18.837 -4.649 -6.540 1.00 0.00 H new ATOM 0 HD2 PHE A 21 19.671 -0.768 -8.213 1.00 0.00 H new ATOM 0 HE1 PHE A 21 21.021 -5.482 -7.376 1.00 0.00 H new ATOM 0 HE2 PHE A 21 21.848 -1.615 -9.068 1.00 0.00 H new ATOM 0 HZ PHE A 21 22.510 -3.976 -8.663 1.00 0.00 H new ATOM 345 N ALA A 22 14.583 -1.724 -7.068 1.00 0.00 N ATOM 346 CA ALA A 22 13.315 -1.505 -6.374 1.00 0.00 C ATOM 347 C ALA A 22 12.203 -2.470 -6.830 1.00 0.00 C ATOM 348 O ALA A 22 11.471 -2.976 -5.986 1.00 0.00 O ATOM 349 CB ALA A 22 12.949 -0.030 -6.534 1.00 0.00 C ATOM 0 H ALA A 22 14.857 -0.959 -7.685 1.00 0.00 H new ATOM 0 HA ALA A 22 13.428 -1.734 -5.314 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.005 0.168 -6.026 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.733 0.589 -6.097 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.848 0.207 -7.593 1.00 0.00 H new ATOM 355 N LYS A 23 12.123 -2.833 -8.120 1.00 0.00 N ATOM 356 CA LYS A 23 11.121 -3.807 -8.628 1.00 0.00 C ATOM 357 C LYS A 23 11.328 -5.223 -8.077 1.00 0.00 C ATOM 358 O LYS A 23 10.378 -5.985 -7.930 1.00 0.00 O ATOM 359 CB LYS A 23 11.087 -3.791 -10.173 1.00 0.00 C ATOM 360 CG LYS A 23 12.300 -4.452 -10.859 1.00 0.00 C ATOM 361 CD LYS A 23 12.431 -4.125 -12.361 1.00 0.00 C ATOM 362 CE LYS A 23 11.440 -4.877 -13.266 1.00 0.00 C ATOM 363 NZ LYS A 23 11.905 -6.258 -13.608 1.00 0.00 N ATOM 0 H LYS A 23 12.743 -2.467 -8.843 1.00 0.00 H new ATOM 0 HA LYS A 23 10.147 -3.488 -8.258 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.180 -4.296 -10.507 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.018 -2.756 -10.509 1.00 0.00 H new ATOM 0 HG2 LYS A 23 13.209 -4.135 -10.349 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.227 -5.533 -10.739 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.290 -3.053 -12.500 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.446 -4.357 -12.683 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.472 -4.937 -12.768 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.291 -4.310 -14.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.164 -6.750 -14.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.771 -6.201 -14.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.103 -6.784 -12.733 1.00 0.00 H new ATOM 377 N THR A 24 12.580 -5.542 -7.748 1.00 0.00 N ATOM 378 CA THR A 24 13.015 -6.848 -7.213 1.00 0.00 C ATOM 379 C THR A 24 12.946 -6.904 -5.681 1.00 0.00 C ATOM 380 O THR A 24 12.303 -7.787 -5.119 1.00 0.00 O ATOM 381 CB THR A 24 14.444 -7.162 -7.686 1.00 0.00 C ATOM 382 OG1 THR A 24 14.554 -6.969 -9.079 1.00 0.00 O ATOM 383 CG2 THR A 24 14.850 -8.607 -7.409 1.00 0.00 C ATOM 0 H THR A 24 13.351 -4.881 -7.847 1.00 0.00 H new ATOM 0 HA THR A 24 12.326 -7.600 -7.597 1.00 0.00 H new ATOM 0 HB THR A 24 15.096 -6.487 -7.131 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.865 -6.057 -9.259 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.867 -8.773 -7.763 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.803 -8.799 -6.337 1.00 0.00 H new ATOM 0 HG23 THR A 24 14.170 -9.282 -7.929 1.00 0.00 H new ATOM 391 N LEU A 25 13.589 -5.948 -4.994 1.00 0.00 N ATOM 392 CA LEU A 25 13.747 -5.913 -3.525 1.00 0.00 C ATOM 393 C LEU A 25 12.528 -5.298 -2.824 1.00 0.00 C ATOM 394 O LEU A 25 12.269 -5.571 -1.652 1.00 0.00 O ATOM 395 CB LEU A 25 15.042 -5.137 -3.178 1.00 0.00 C ATOM 396 CG LEU A 25 16.316 -5.654 -3.876 1.00 0.00 C ATOM 397 CD1 LEU A 25 17.494 -4.772 -3.483 1.00 0.00 C ATOM 398 CD2 LEU A 25 16.645 -7.098 -3.504 1.00 0.00 C ATOM 0 H LEU A 25 14.028 -5.152 -5.456 1.00 0.00 H new ATOM 0 HA LEU A 25 13.823 -6.937 -3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 25 14.901 -4.089 -3.441 1.00 0.00 H new ATOM 0 HB3 LEU A 25 15.194 -5.177 -2.099 1.00 0.00 H new ATOM 0 HG LEU A 25 16.133 -5.619 -4.950 1.00 0.00 H new ATOM 0 HD11 LEU A 25 18.398 -5.133 -3.974 1.00 0.00 H new ATOM 0 HD12 LEU A 25 17.299 -3.745 -3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 25 17.629 -4.806 -2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.551 -7.410 -4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.801 -7.170 -2.428 1.00 0.00 H new ATOM 0 HD23 LEU A 25 15.818 -7.746 -3.795 1.00 0.00 H new ATOM 410 N GLY A 26 11.781 -4.456 -3.544 1.00 0.00 N ATOM 411 CA GLY A 26 10.547 -3.808 -3.108 1.00 0.00 C ATOM 412 C GLY A 26 9.269 -4.483 -3.599 1.00 0.00 C ATOM 413 O GLY A 26 8.199 -3.940 -3.351 1.00 0.00 O ATOM 0 H GLY A 26 12.037 -4.196 -4.497 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.532 -3.779 -2.018 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.553 -2.774 -3.454 1.00 0.00 H new ATOM 417 N ALA A 27 9.338 -5.638 -4.272 1.00 0.00 N ATOM 418 CA ALA A 27 8.168 -6.338 -4.827 1.00 0.00 C ATOM 419 C ALA A 27 7.028 -6.510 -3.793 1.00 0.00 C ATOM 420 O ALA A 27 7.181 -7.209 -2.788 1.00 0.00 O ATOM 421 CB ALA A 27 8.630 -7.700 -5.366 1.00 0.00 C ATOM 0 H ALA A 27 10.219 -6.121 -4.450 1.00 0.00 H new ATOM 0 HA ALA A 27 7.751 -5.732 -5.632 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.776 -8.235 -5.782 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.378 -7.549 -6.144 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.064 -8.284 -4.555 1.00 0.00 H new ATOM 427 N GLY A 28 5.894 -5.834 -4.022 1.00 0.00 N ATOM 428 CA GLY A 28 4.714 -5.842 -3.138 1.00 0.00 C ATOM 429 C GLY A 28 4.792 -4.868 -1.950 1.00 0.00 C ATOM 430 O GLY A 28 3.757 -4.432 -1.445 1.00 0.00 O ATOM 0 H GLY A 28 5.766 -5.250 -4.848 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.832 -5.600 -3.731 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.573 -6.852 -2.753 1.00 0.00 H new ATOM 434 N LYS A 29 6.005 -4.455 -1.549 1.00 0.00 N ATOM 435 CA LYS A 29 6.251 -3.370 -0.576 1.00 0.00 C ATOM 436 C LYS A 29 6.027 -2.006 -1.223 1.00 0.00 C ATOM 437 O LYS A 29 5.479 -1.108 -0.597 1.00 0.00 O ATOM 438 CB LYS A 29 7.683 -3.490 -0.014 1.00 0.00 C ATOM 439 CG LYS A 29 7.871 -4.762 0.829 1.00 0.00 C ATOM 440 CD LYS A 29 9.237 -5.443 0.631 1.00 0.00 C ATOM 441 CE LYS A 29 10.405 -4.698 1.295 1.00 0.00 C ATOM 442 NZ LYS A 29 11.676 -5.479 1.177 1.00 0.00 N ATOM 0 H LYS A 29 6.866 -4.875 -1.899 1.00 0.00 H new ATOM 0 HA LYS A 29 5.545 -3.464 0.249 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.396 -3.494 -0.838 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.906 -2.615 0.597 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.751 -4.509 1.882 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.082 -5.472 0.580 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.189 -6.455 1.033 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.436 -5.533 -0.437 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.530 -3.721 0.828 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.178 -4.523 2.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.430 -4.996 1.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.535 -6.432 1.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.947 -5.552 0.176 1.00 0.00 H new ATOM 456 N ILE A 30 6.433 -1.851 -2.484 1.00 0.00 N ATOM 457 CA ILE A 30 6.314 -0.614 -3.273 1.00 0.00 C ATOM 458 C ILE A 30 5.981 -0.882 -4.751 1.00 0.00 C ATOM 459 O ILE A 30 6.011 -2.021 -5.217 1.00 0.00 O ATOM 460 CB ILE A 30 7.602 0.254 -3.122 1.00 0.00 C ATOM 461 CG1 ILE A 30 8.943 -0.380 -3.556 1.00 0.00 C ATOM 462 CG2 ILE A 30 7.815 0.680 -1.662 1.00 0.00 C ATOM 463 CD1 ILE A 30 9.053 -0.841 -5.011 1.00 0.00 C ATOM 0 H ILE A 30 6.871 -2.609 -3.008 1.00 0.00 H new ATOM 0 HA ILE A 30 5.470 -0.053 -2.872 1.00 0.00 H new ATOM 0 HB ILE A 30 7.386 1.075 -3.805 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.736 0.343 -3.369 1.00 0.00 H new ATOM 0 HG13 ILE A 30 9.136 -1.239 -2.913 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.720 1.283 -1.587 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.959 1.265 -1.325 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.917 -0.206 -1.036 1.00 0.00 H new ATOM 0 HD11 ILE A 30 10.042 -1.266 -5.184 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.293 -1.596 -5.212 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.903 0.010 -5.675 1.00 0.00 H new ATOM 475 N ALA A 31 5.673 0.190 -5.486 1.00 0.00 N ATOM 476 CA ALA A 31 5.565 0.207 -6.952 1.00 0.00 C ATOM 477 C ALA A 31 6.479 1.322 -7.497 1.00 0.00 C ATOM 478 O ALA A 31 6.672 2.336 -6.823 1.00 0.00 O ATOM 479 CB ALA A 31 4.104 0.341 -7.394 1.00 0.00 C ATOM 0 H ALA A 31 5.485 1.100 -5.066 1.00 0.00 H new ATOM 0 HA ALA A 31 5.905 -0.739 -7.373 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.053 0.351 -8.483 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.529 -0.502 -7.011 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.689 1.270 -7.003 1.00 0.00 H new ATOM 485 N VAL A 32 7.081 1.144 -8.677 1.00 0.00 N ATOM 486 CA VAL A 32 8.137 2.026 -9.183 1.00 0.00 C ATOM 487 C VAL A 32 8.046 2.392 -10.661 1.00 0.00 C ATOM 488 O VAL A 32 7.616 1.592 -11.495 1.00 0.00 O ATOM 489 CB VAL A 32 9.521 1.419 -8.908 1.00 0.00 C ATOM 490 CG1 VAL A 32 10.038 1.987 -7.592 1.00 0.00 C ATOM 491 CG2 VAL A 32 9.608 -0.113 -8.899 1.00 0.00 C ATOM 0 H VAL A 32 6.848 0.380 -9.311 1.00 0.00 H new ATOM 0 HA VAL A 32 7.988 2.957 -8.636 1.00 0.00 H new ATOM 0 HB VAL A 32 10.142 1.703 -9.758 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.021 1.569 -7.377 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.114 3.072 -7.669 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.349 1.727 -6.788 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.634 -0.418 -8.694 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.950 -0.510 -8.126 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.301 -0.501 -9.871 1.00 0.00 H new ATOM 501 N THR A 33 8.547 3.596 -10.955 1.00 0.00 N ATOM 502 CA THR A 33 8.698 4.157 -12.306 1.00 0.00 C ATOM 503 C THR A 33 10.047 4.891 -12.417 1.00 0.00 C ATOM 504 O THR A 33 10.536 5.445 -11.432 1.00 0.00 O ATOM 505 CB THR A 33 7.532 5.115 -12.629 1.00 0.00 C ATOM 506 OG1 THR A 33 6.287 4.518 -12.306 1.00 0.00 O ATOM 507 CG2 THR A 33 7.448 5.479 -14.112 1.00 0.00 C ATOM 0 H THR A 33 8.873 4.235 -10.229 1.00 0.00 H new ATOM 0 HA THR A 33 8.678 3.343 -13.031 1.00 0.00 H new ATOM 0 HB THR A 33 7.729 6.009 -12.037 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.561 5.141 -12.517 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.608 6.155 -14.274 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.372 5.969 -14.419 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.304 4.573 -14.701 1.00 0.00 H new ATOM 515 N SER A 34 10.654 4.923 -13.605 1.00 0.00 N ATOM 516 CA SER A 34 11.875 5.674 -13.921 1.00 0.00 C ATOM 517 C SER A 34 11.626 6.724 -15.015 1.00 0.00 C ATOM 518 O SER A 34 10.959 6.445 -16.014 1.00 0.00 O ATOM 519 CB SER A 34 12.940 4.675 -14.357 1.00 0.00 C ATOM 520 OG SER A 34 14.107 5.353 -14.777 1.00 0.00 O ATOM 0 H SER A 34 10.295 4.406 -14.408 1.00 0.00 H new ATOM 0 HA SER A 34 12.208 6.220 -13.038 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.178 4.004 -13.532 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.558 4.057 -15.170 1.00 0.00 H new ATOM 0 HG SER A 34 14.720 4.717 -15.201 1.00 0.00 H new ATOM 526 N CYS A 35 12.180 7.929 -14.838 1.00 0.00 N ATOM 527 CA CYS A 35 12.129 9.034 -15.799 1.00 0.00 C ATOM 528 C CYS A 35 13.365 9.947 -15.703 1.00 0.00 C ATOM 529 O CYS A 35 14.302 9.693 -14.943 1.00 0.00 O ATOM 530 CB CYS A 35 10.816 9.800 -15.586 1.00 0.00 C ATOM 531 SG CYS A 35 10.854 10.847 -14.108 1.00 0.00 S ATOM 0 H CYS A 35 12.694 8.169 -13.991 1.00 0.00 H new ATOM 0 HA CYS A 35 12.150 8.634 -16.813 1.00 0.00 H new ATOM 0 HB2 CYS A 35 10.614 10.419 -16.460 1.00 0.00 H new ATOM 0 HB3 CYS A 35 9.994 9.089 -15.502 1.00 0.00 H new ATOM 0 HG CYS A 35 10.380 10.185 -13.095 1.00 0.00 H new ATOM 537 N GLY A 36 13.412 11.011 -16.495 1.00 0.00 N ATOM 538 CA GLY A 36 14.422 12.065 -16.345 1.00 0.00 C ATOM 539 C GLY A 36 13.925 13.414 -16.822 1.00 0.00 C ATOM 540 O GLY A 36 12.905 13.486 -17.498 1.00 0.00 O ATOM 0 H GLY A 36 12.756 11.172 -17.259 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.714 12.138 -15.297 1.00 0.00 H new ATOM 0 HA3 GLY A 36 15.315 11.791 -16.906 1.00 0.00 H new ATOM 544 N LEU A 37 14.643 14.501 -16.521 1.00 0.00 N ATOM 545 CA LEU A 37 14.299 15.814 -17.105 1.00 0.00 C ATOM 546 C LEU A 37 14.463 15.834 -18.640 1.00 0.00 C ATOM 547 O LEU A 37 13.885 16.674 -19.327 1.00 0.00 O ATOM 548 CB LEU A 37 14.992 16.993 -16.408 1.00 0.00 C ATOM 549 CG LEU A 37 16.519 16.866 -16.243 1.00 0.00 C ATOM 550 CD1 LEU A 37 17.205 18.226 -16.342 1.00 0.00 C ATOM 551 CD2 LEU A 37 16.835 16.290 -14.862 1.00 0.00 C ATOM 0 H LEU A 37 15.447 14.507 -15.893 1.00 0.00 H new ATOM 0 HA LEU A 37 13.236 15.959 -16.910 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.780 17.901 -16.973 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.547 17.120 -15.421 1.00 0.00 H new ATOM 0 HG LEU A 37 16.883 16.216 -17.039 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.281 18.100 -16.221 1.00 0.00 H new ATOM 0 HD12 LEU A 37 16.998 18.668 -17.317 1.00 0.00 H new ATOM 0 HD13 LEU A 37 16.826 18.882 -15.559 1.00 0.00 H new ATOM 0 HD21 LEU A 37 17.915 16.200 -14.744 1.00 0.00 H new ATOM 0 HD22 LEU A 37 16.440 16.953 -14.092 1.00 0.00 H new ATOM 0 HD23 LEU A 37 16.376 15.306 -14.764 1.00 0.00 H new ATOM 563 N GLU A 38 15.204 14.855 -19.158 1.00 0.00 N ATOM 564 CA GLU A 38 15.335 14.504 -20.576 1.00 0.00 C ATOM 565 C GLU A 38 15.358 12.967 -20.692 1.00 0.00 C ATOM 566 O GLU A 38 15.614 12.258 -19.712 1.00 0.00 O ATOM 567 CB GLU A 38 16.596 15.116 -21.221 1.00 0.00 C ATOM 568 CG GLU A 38 16.708 16.639 -21.076 1.00 0.00 C ATOM 569 CD GLU A 38 17.947 17.163 -21.829 1.00 0.00 C ATOM 570 OE1 GLU A 38 19.054 17.189 -21.236 1.00 0.00 O ATOM 571 OE2 GLU A 38 17.821 17.556 -23.014 1.00 0.00 O ATOM 0 H GLU A 38 15.765 14.246 -18.563 1.00 0.00 H new ATOM 0 HA GLU A 38 14.485 14.917 -21.118 1.00 0.00 H new ATOM 0 HB2 GLU A 38 17.477 14.655 -20.775 1.00 0.00 H new ATOM 0 HB3 GLU A 38 16.606 14.863 -22.281 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.809 17.115 -21.468 1.00 0.00 H new ATOM 0 HG3 GLU A 38 16.776 16.906 -20.021 1.00 0.00 H new ATOM 578 N SER A 39 15.107 12.438 -21.888 1.00 0.00 N ATOM 579 CA SER A 39 15.083 10.996 -22.172 1.00 0.00 C ATOM 580 C SER A 39 15.625 10.684 -23.573 1.00 0.00 C ATOM 581 O SER A 39 15.291 11.381 -24.534 1.00 0.00 O ATOM 582 CB SER A 39 13.659 10.454 -22.010 1.00 0.00 C ATOM 583 OG SER A 39 12.694 11.239 -22.692 1.00 0.00 O ATOM 0 H SER A 39 14.909 13.010 -22.709 1.00 0.00 H new ATOM 0 HA SER A 39 15.737 10.501 -21.454 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.619 9.431 -22.384 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.407 10.416 -20.950 1.00 0.00 H new ATOM 0 HG SER A 39 12.129 10.657 -23.242 1.00 0.00 H new ATOM 589 N SER A 40 16.428 9.616 -23.698 1.00 0.00 N ATOM 590 CA SER A 40 16.912 9.127 -25.004 1.00 0.00 C ATOM 591 C SER A 40 16.781 7.603 -25.153 1.00 0.00 C ATOM 592 O SER A 40 15.894 7.138 -25.872 1.00 0.00 O ATOM 593 CB SER A 40 18.319 9.673 -25.269 1.00 0.00 C ATOM 594 OG SER A 40 18.730 9.347 -26.587 1.00 0.00 O ATOM 0 H SER A 40 16.760 9.068 -22.904 1.00 0.00 H new ATOM 0 HA SER A 40 16.266 9.516 -25.791 1.00 0.00 H new ATOM 0 HB2 SER A 40 18.329 10.755 -25.134 1.00 0.00 H new ATOM 0 HB3 SER A 40 19.021 9.255 -24.547 1.00 0.00 H new ATOM 0 HG SER A 40 19.705 9.422 -26.654 1.00 0.00 H new ATOM 600 N ARG A 41 17.605 6.814 -24.440 1.00 0.00 N ATOM 601 CA ARG A 41 17.518 5.335 -24.375 1.00 0.00 C ATOM 602 C ARG A 41 18.160 4.777 -23.101 1.00 0.00 C ATOM 603 O ARG A 41 19.016 5.440 -22.522 1.00 0.00 O ATOM 604 CB ARG A 41 18.127 4.695 -25.648 1.00 0.00 C ATOM 605 CG ARG A 41 19.667 4.633 -25.764 1.00 0.00 C ATOM 606 CD ARG A 41 20.396 5.984 -25.838 1.00 0.00 C ATOM 607 NE ARG A 41 19.958 6.793 -26.994 1.00 0.00 N ATOM 608 CZ ARG A 41 20.307 6.675 -28.263 1.00 0.00 C ATOM 609 NH1 ARG A 41 21.141 5.768 -28.685 1.00 0.00 N ATOM 610 NH2 ARG A 41 19.807 7.492 -29.145 1.00 0.00 N ATOM 0 H ARG A 41 18.369 7.191 -23.879 1.00 0.00 H new ATOM 0 HA ARG A 41 16.462 5.068 -24.334 1.00 0.00 H new ATOM 0 HB2 ARG A 41 17.745 3.677 -25.725 1.00 0.00 H new ATOM 0 HB3 ARG A 41 17.749 5.243 -26.511 1.00 0.00 H new ATOM 0 HG2 ARG A 41 20.053 4.082 -24.907 1.00 0.00 H new ATOM 0 HG3 ARG A 41 19.921 4.057 -26.654 1.00 0.00 H new ATOM 0 HD2 ARG A 41 20.218 6.542 -24.918 1.00 0.00 H new ATOM 0 HD3 ARG A 41 21.470 5.812 -25.904 1.00 0.00 H new ATOM 0 HE ARG A 41 19.298 7.542 -26.785 1.00 0.00 H new ATOM 0 HH11 ARG A 41 21.555 5.109 -28.025 1.00 0.00 H new ATOM 0 HH12 ARG A 41 21.380 5.716 -29.675 1.00 0.00 H new ATOM 0 HH21 ARG A 41 19.151 8.217 -28.854 1.00 0.00 H new ATOM 0 HH22 ARG A 41 20.072 7.407 -30.126 1.00 0.00 H new ATOM 624 N VAL A 42 17.808 3.553 -22.691 1.00 0.00 N ATOM 625 CA VAL A 42 18.538 2.855 -21.605 1.00 0.00 C ATOM 626 C VAL A 42 19.961 2.551 -22.079 1.00 0.00 C ATOM 627 O VAL A 42 20.151 2.095 -23.208 1.00 0.00 O ATOM 628 CB VAL A 42 17.871 1.547 -21.122 1.00 0.00 C ATOM 629 CG1 VAL A 42 18.535 1.042 -19.833 1.00 0.00 C ATOM 630 CG2 VAL A 42 16.398 1.743 -20.798 1.00 0.00 C ATOM 0 H VAL A 42 17.031 3.022 -23.085 1.00 0.00 H new ATOM 0 HA VAL A 42 18.531 3.529 -20.749 1.00 0.00 H new ATOM 0 HB VAL A 42 17.986 0.834 -21.938 1.00 0.00 H new ATOM 0 HG11 VAL A 42 18.050 0.121 -19.511 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.592 0.850 -20.019 1.00 0.00 H new ATOM 0 HG13 VAL A 42 18.435 1.796 -19.053 1.00 0.00 H new ATOM 0 HG21 VAL A 42 15.970 0.798 -20.463 1.00 0.00 H new ATOM 0 HG22 VAL A 42 16.295 2.488 -20.009 1.00 0.00 H new ATOM 0 HG23 VAL A 42 15.872 2.083 -21.690 1.00 0.00 H new ATOM 640 N HIS A 43 20.958 2.772 -21.219 1.00 0.00 N ATOM 641 CA HIS A 43 22.341 2.396 -21.510 1.00 0.00 C ATOM 642 C HIS A 43 22.422 0.870 -21.607 1.00 0.00 C ATOM 643 O HIS A 43 22.048 0.198 -20.647 1.00 0.00 O ATOM 644 CB HIS A 43 23.275 2.958 -20.431 1.00 0.00 C ATOM 645 CG HIS A 43 24.674 3.112 -20.951 1.00 0.00 C ATOM 646 ND1 HIS A 43 25.580 2.076 -21.170 1.00 0.00 N ATOM 647 CD2 HIS A 43 25.227 4.290 -21.347 1.00 0.00 C ATOM 648 CE1 HIS A 43 26.684 2.667 -21.668 1.00 0.00 C ATOM 649 NE2 HIS A 43 26.489 3.991 -21.801 1.00 0.00 N ATOM 0 H HIS A 43 20.830 3.213 -20.308 1.00 0.00 H new ATOM 0 HA HIS A 43 22.663 2.819 -22.462 1.00 0.00 H new ATOM 0 HB2 HIS A 43 22.902 3.924 -20.091 1.00 0.00 H new ATOM 0 HB3 HIS A 43 23.277 2.295 -19.566 1.00 0.00 H new ATOM 0 HD2 HIS A 43 24.766 5.266 -21.312 1.00 0.00 H new ATOM 0 HE1 HIS A 43 27.597 2.150 -21.924 1.00 0.00 H new ATOM 0 HE2 HIS A 43 27.163 4.659 -22.175 1.00 0.00 H new ATOM 657 N PRO A 44 22.881 0.277 -22.721 1.00 0.00 N ATOM 658 CA PRO A 44 22.744 -1.163 -22.906 1.00 0.00 C ATOM 659 C PRO A 44 23.640 -1.961 -21.940 1.00 0.00 C ATOM 660 O PRO A 44 23.307 -3.086 -21.572 1.00 0.00 O ATOM 661 CB PRO A 44 23.089 -1.389 -24.380 1.00 0.00 C ATOM 662 CG PRO A 44 24.072 -0.263 -24.700 1.00 0.00 C ATOM 663 CD PRO A 44 23.524 0.897 -23.872 1.00 0.00 C ATOM 0 HA PRO A 44 21.741 -1.521 -22.673 1.00 0.00 H new ATOM 0 HB2 PRO A 44 23.538 -2.369 -24.540 1.00 0.00 H new ATOM 0 HB3 PRO A 44 22.202 -1.337 -25.011 1.00 0.00 H new ATOM 0 HG2 PRO A 44 25.092 -0.520 -24.413 1.00 0.00 H new ATOM 0 HG3 PRO A 44 24.089 -0.029 -25.765 1.00 0.00 H new ATOM 0 HD2 PRO A 44 24.323 1.570 -23.561 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.813 1.490 -24.448 1.00 0.00 H new ATOM 671 N THR A 45 24.723 -1.359 -21.435 1.00 0.00 N ATOM 672 CA THR A 45 25.570 -1.945 -20.383 1.00 0.00 C ATOM 673 C THR A 45 24.854 -2.012 -19.031 1.00 0.00 C ATOM 674 O THR A 45 25.121 -2.921 -18.249 1.00 0.00 O ATOM 675 CB THR A 45 26.901 -1.178 -20.267 1.00 0.00 C ATOM 676 OG1 THR A 45 27.520 -1.135 -21.541 1.00 0.00 O ATOM 677 CG2 THR A 45 27.884 -1.852 -19.310 1.00 0.00 C ATOM 0 H THR A 45 25.042 -0.442 -21.747 1.00 0.00 H new ATOM 0 HA THR A 45 25.786 -2.972 -20.677 1.00 0.00 H new ATOM 0 HB THR A 45 26.665 -0.184 -19.886 1.00 0.00 H new ATOM 0 HG1 THR A 45 28.367 -0.647 -21.477 1.00 0.00 H new ATOM 0 HG21 THR A 45 28.805 -1.271 -19.265 1.00 0.00 H new ATOM 0 HG22 THR A 45 27.442 -1.909 -18.315 1.00 0.00 H new ATOM 0 HG23 THR A 45 28.107 -2.858 -19.666 1.00 0.00 H new ATOM 685 N ALA A 46 23.865 -1.150 -18.759 1.00 0.00 N ATOM 686 CA ALA A 46 23.053 -1.239 -17.543 1.00 0.00 C ATOM 687 C ALA A 46 22.257 -2.554 -17.481 1.00 0.00 C ATOM 688 O ALA A 46 22.228 -3.191 -16.435 1.00 0.00 O ATOM 689 CB ALA A 46 22.123 -0.025 -17.469 1.00 0.00 C ATOM 0 H ALA A 46 23.608 -0.377 -19.373 1.00 0.00 H new ATOM 0 HA ALA A 46 23.718 -1.238 -16.679 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.516 -0.086 -16.566 1.00 0.00 H new ATOM 0 HB2 ALA A 46 22.718 0.888 -17.445 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.472 -0.012 -18.343 1.00 0.00 H new ATOM 695 N ILE A 47 21.692 -3.015 -18.607 1.00 0.00 N ATOM 696 CA ILE A 47 21.027 -4.333 -18.693 1.00 0.00 C ATOM 697 C ILE A 47 22.026 -5.427 -18.284 1.00 0.00 C ATOM 698 O ILE A 47 21.712 -6.267 -17.447 1.00 0.00 O ATOM 699 CB ILE A 47 20.462 -4.604 -20.116 1.00 0.00 C ATOM 700 CG1 ILE A 47 19.203 -3.789 -20.491 1.00 0.00 C ATOM 701 CG2 ILE A 47 20.065 -6.084 -20.287 1.00 0.00 C ATOM 702 CD1 ILE A 47 19.341 -2.263 -20.465 1.00 0.00 C ATOM 0 H ILE A 47 21.681 -2.491 -19.482 1.00 0.00 H new ATOM 0 HA ILE A 47 20.177 -4.339 -18.011 1.00 0.00 H new ATOM 0 HB ILE A 47 21.283 -4.304 -20.767 1.00 0.00 H new ATOM 0 HG12 ILE A 47 18.891 -4.086 -21.492 1.00 0.00 H new ATOM 0 HG13 ILE A 47 18.400 -4.070 -19.810 1.00 0.00 H new ATOM 0 HG21 ILE A 47 19.674 -6.242 -21.292 1.00 0.00 H new ATOM 0 HG22 ILE A 47 20.940 -6.715 -20.135 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.300 -6.342 -19.555 1.00 0.00 H new ATOM 0 HD11 ILE A 47 18.392 -1.807 -20.746 1.00 0.00 H new ATOM 0 HD12 ILE A 47 19.616 -1.940 -19.461 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.114 -1.956 -21.169 1.00 0.00 H new ATOM 714 N ALA A 48 23.258 -5.375 -18.801 1.00 0.00 N ATOM 715 CA ALA A 48 24.280 -6.385 -18.515 1.00 0.00 C ATOM 716 C ALA A 48 24.721 -6.376 -17.041 1.00 0.00 C ATOM 717 O ALA A 48 24.886 -7.430 -16.428 1.00 0.00 O ATOM 718 CB ALA A 48 25.466 -6.162 -19.453 1.00 0.00 C ATOM 0 H ALA A 48 23.573 -4.634 -19.427 1.00 0.00 H new ATOM 0 HA ALA A 48 23.852 -7.372 -18.690 1.00 0.00 H new ATOM 0 HB1 ALA A 48 26.235 -6.908 -19.251 1.00 0.00 H new ATOM 0 HB2 ALA A 48 25.134 -6.254 -20.487 1.00 0.00 H new ATOM 0 HB3 ALA A 48 25.876 -5.165 -19.291 1.00 0.00 H new ATOM 724 N MET A 49 24.856 -5.187 -16.447 1.00 0.00 N ATOM 725 CA MET A 49 25.283 -5.014 -15.052 1.00 0.00 C ATOM 726 C MET A 49 24.171 -5.367 -14.059 1.00 0.00 C ATOM 727 O MET A 49 24.476 -5.841 -12.969 1.00 0.00 O ATOM 728 CB MET A 49 25.814 -3.590 -14.836 1.00 0.00 C ATOM 729 CG MET A 49 26.994 -3.247 -15.755 1.00 0.00 C ATOM 730 SD MET A 49 28.643 -3.570 -15.076 1.00 0.00 S ATOM 731 CE MET A 49 28.906 -5.298 -15.525 1.00 0.00 C ATOM 0 H MET A 49 24.670 -4.306 -16.926 1.00 0.00 H new ATOM 0 HA MET A 49 26.094 -5.715 -14.858 1.00 0.00 H new ATOM 0 HB2 MET A 49 25.007 -2.877 -15.007 1.00 0.00 H new ATOM 0 HB3 MET A 49 26.124 -3.477 -13.797 1.00 0.00 H new ATOM 0 HG2 MET A 49 26.886 -3.813 -16.680 1.00 0.00 H new ATOM 0 HG3 MET A 49 26.930 -2.191 -16.018 1.00 0.00 H new ATOM 0 HE1 MET A 49 29.943 -5.571 -15.328 1.00 0.00 H new ATOM 0 HE2 MET A 49 28.245 -5.932 -14.934 1.00 0.00 H new ATOM 0 HE3 MET A 49 28.690 -5.436 -16.584 1.00 0.00 H new ATOM 741 N MET A 50 22.900 -5.198 -14.428 1.00 0.00 N ATOM 742 CA MET A 50 21.764 -5.707 -13.645 1.00 0.00 C ATOM 743 C MET A 50 21.595 -7.226 -13.826 1.00 0.00 C ATOM 744 O MET A 50 21.271 -7.927 -12.865 1.00 0.00 O ATOM 745 CB MET A 50 20.480 -4.956 -14.029 1.00 0.00 C ATOM 746 CG MET A 50 20.510 -3.459 -13.673 1.00 0.00 C ATOM 747 SD MET A 50 20.881 -3.025 -11.948 1.00 0.00 S ATOM 748 CE MET A 50 19.639 -4.027 -11.091 1.00 0.00 C ATOM 0 H MET A 50 22.625 -4.705 -15.278 1.00 0.00 H new ATOM 0 HA MET A 50 21.967 -5.529 -12.589 1.00 0.00 H new ATOM 0 HB2 MET A 50 20.314 -5.062 -15.101 1.00 0.00 H new ATOM 0 HB3 MET A 50 19.632 -5.423 -13.527 1.00 0.00 H new ATOM 0 HG2 MET A 50 21.250 -2.975 -14.310 1.00 0.00 H new ATOM 0 HG3 MET A 50 19.541 -3.031 -13.928 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.260 -3.478 -10.229 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.816 -4.247 -11.771 1.00 0.00 H new ATOM 0 HE3 MET A 50 20.092 -4.960 -10.756 1.00 0.00 H new ATOM 758 N GLU A 51 21.923 -7.768 -15.003 1.00 0.00 N ATOM 759 CA GLU A 51 21.897 -9.213 -15.252 1.00 0.00 C ATOM 760 C GLU A 51 22.970 -9.985 -14.466 1.00 0.00 C ATOM 761 O GLU A 51 22.763 -11.167 -14.194 1.00 0.00 O ATOM 762 CB GLU A 51 21.990 -9.506 -16.758 1.00 0.00 C ATOM 763 CG GLU A 51 20.636 -9.369 -17.469 1.00 0.00 C ATOM 764 CD GLU A 51 19.791 -10.652 -17.317 1.00 0.00 C ATOM 765 OE1 GLU A 51 19.204 -10.890 -16.233 1.00 0.00 O ATOM 766 OE2 GLU A 51 19.717 -11.446 -18.288 1.00 0.00 O ATOM 0 H GLU A 51 22.214 -7.217 -15.811 1.00 0.00 H new ATOM 0 HA GLU A 51 20.938 -9.575 -14.882 1.00 0.00 H new ATOM 0 HB2 GLU A 51 22.707 -8.823 -17.214 1.00 0.00 H new ATOM 0 HB3 GLU A 51 22.373 -10.516 -16.905 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.090 -8.520 -17.056 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.798 -9.160 -18.527 1.00 0.00 H new ATOM 773 N GLU A 52 24.055 -9.345 -14.001 1.00 0.00 N ATOM 774 CA GLU A 52 24.989 -9.992 -13.053 1.00 0.00 C ATOM 775 C GLU A 52 24.306 -10.337 -11.713 1.00 0.00 C ATOM 776 O GLU A 52 24.713 -11.273 -11.019 1.00 0.00 O ATOM 777 CB GLU A 52 26.196 -9.094 -12.743 1.00 0.00 C ATOM 778 CG GLU A 52 27.021 -8.679 -13.965 1.00 0.00 C ATOM 779 CD GLU A 52 28.443 -8.274 -13.558 1.00 0.00 C ATOM 780 OE1 GLU A 52 28.595 -7.328 -12.747 1.00 0.00 O ATOM 781 OE2 GLU A 52 29.420 -8.867 -14.065 1.00 0.00 O ATOM 0 H GLU A 52 24.309 -8.392 -14.260 1.00 0.00 H new ATOM 0 HA GLU A 52 25.319 -10.907 -13.545 1.00 0.00 H new ATOM 0 HB2 GLU A 52 25.842 -8.195 -12.239 1.00 0.00 H new ATOM 0 HB3 GLU A 52 26.848 -9.616 -12.042 1.00 0.00 H new ATOM 0 HG2 GLU A 52 27.064 -9.504 -14.676 1.00 0.00 H new ATOM 0 HG3 GLU A 52 26.533 -7.846 -14.472 1.00 0.00 H new ATOM 788 N VAL A 53 23.243 -9.601 -11.361 1.00 0.00 N ATOM 789 CA VAL A 53 22.374 -9.832 -10.190 1.00 0.00 C ATOM 790 C VAL A 53 21.201 -10.776 -10.531 1.00 0.00 C ATOM 791 O VAL A 53 20.419 -11.154 -9.657 1.00 0.00 O ATOM 792 CB VAL A 53 21.837 -8.486 -9.633 1.00 0.00 C ATOM 793 CG1 VAL A 53 21.485 -8.593 -8.142 1.00 0.00 C ATOM 794 CG2 VAL A 53 22.821 -7.308 -9.758 1.00 0.00 C ATOM 0 H VAL A 53 22.949 -8.791 -11.907 1.00 0.00 H new ATOM 0 HA VAL A 53 22.980 -10.314 -9.423 1.00 0.00 H new ATOM 0 HB VAL A 53 20.960 -8.287 -10.249 1.00 0.00 H new ATOM 0 HG11 VAL A 53 21.113 -7.632 -7.786 1.00 0.00 H new ATOM 0 HG12 VAL A 53 20.717 -9.354 -8.003 1.00 0.00 H new ATOM 0 HG13 VAL A 53 22.375 -8.869 -7.577 1.00 0.00 H new ATOM 0 HG21 VAL A 53 22.365 -6.408 -9.345 1.00 0.00 H new ATOM 0 HG22 VAL A 53 23.734 -7.537 -9.209 1.00 0.00 H new ATOM 0 HG23 VAL A 53 23.061 -7.144 -10.809 1.00 0.00 H new ATOM 804 N GLY A 54 21.045 -11.155 -11.808 1.00 0.00 N ATOM 805 CA GLY A 54 19.870 -11.865 -12.325 1.00 0.00 C ATOM 806 C GLY A 54 18.611 -10.980 -12.417 1.00 0.00 C ATOM 807 O GLY A 54 17.500 -11.509 -12.488 1.00 0.00 O ATOM 0 H GLY A 54 21.748 -10.972 -12.524 1.00 0.00 H new ATOM 0 HA2 GLY A 54 20.100 -12.261 -13.314 1.00 0.00 H new ATOM 0 HA3 GLY A 54 19.659 -12.719 -11.681 1.00 0.00 H new ATOM 811 N ILE A 55 18.769 -9.651 -12.381 1.00 0.00 N ATOM 812 CA ILE A 55 17.673 -8.671 -12.445 1.00 0.00 C ATOM 813 C ILE A 55 17.493 -8.195 -13.895 1.00 0.00 C ATOM 814 O ILE A 55 18.432 -7.696 -14.517 1.00 0.00 O ATOM 815 CB ILE A 55 17.935 -7.503 -11.465 1.00 0.00 C ATOM 816 CG1 ILE A 55 17.878 -8.010 -10.003 1.00 0.00 C ATOM 817 CG2 ILE A 55 16.917 -6.366 -11.672 1.00 0.00 C ATOM 818 CD1 ILE A 55 18.149 -6.940 -8.932 1.00 0.00 C ATOM 0 H ILE A 55 19.687 -9.214 -12.304 1.00 0.00 H new ATOM 0 HA ILE A 55 16.739 -9.138 -12.133 1.00 0.00 H new ATOM 0 HB ILE A 55 18.931 -7.108 -11.667 1.00 0.00 H new ATOM 0 HG12 ILE A 55 16.894 -8.442 -9.822 1.00 0.00 H new ATOM 0 HG13 ILE A 55 18.605 -8.813 -9.884 1.00 0.00 H new ATOM 0 HG21 ILE A 55 17.125 -5.559 -10.970 1.00 0.00 H new ATOM 0 HG22 ILE A 55 16.995 -5.989 -12.692 1.00 0.00 H new ATOM 0 HG23 ILE A 55 15.909 -6.744 -11.501 1.00 0.00 H new ATOM 0 HD11 ILE A 55 18.087 -7.392 -7.942 1.00 0.00 H new ATOM 0 HD12 ILE A 55 19.145 -6.523 -9.078 1.00 0.00 H new ATOM 0 HD13 ILE A 55 17.407 -6.146 -9.015 1.00 0.00 H new ATOM 830 N ASP A 56 16.264 -8.286 -14.411 1.00 0.00 N ATOM 831 CA ASP A 56 15.937 -7.876 -15.780 1.00 0.00 C ATOM 832 C ASP A 56 15.356 -6.455 -15.832 1.00 0.00 C ATOM 833 O ASP A 56 14.341 -6.163 -15.193 1.00 0.00 O ATOM 834 CB ASP A 56 14.985 -8.902 -16.415 1.00 0.00 C ATOM 835 CG ASP A 56 14.570 -8.521 -17.848 1.00 0.00 C ATOM 836 OD1 ASP A 56 15.374 -7.874 -18.564 1.00 0.00 O ATOM 837 OD2 ASP A 56 13.433 -8.850 -18.254 1.00 0.00 O ATOM 0 H ASP A 56 15.465 -8.647 -13.890 1.00 0.00 H new ATOM 0 HA ASP A 56 16.860 -7.850 -16.360 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.468 -9.879 -16.429 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.093 -8.996 -15.796 1.00 0.00 H new ATOM 842 N ILE A 57 15.988 -5.588 -16.632 1.00 0.00 N ATOM 843 CA ILE A 57 15.487 -4.254 -17.004 1.00 0.00 C ATOM 844 C ILE A 57 15.368 -4.063 -18.533 1.00 0.00 C ATOM 845 O ILE A 57 15.134 -2.954 -19.007 1.00 0.00 O ATOM 846 CB ILE A 57 16.301 -3.124 -16.329 1.00 0.00 C ATOM 847 CG1 ILE A 57 17.783 -3.076 -16.763 1.00 0.00 C ATOM 848 CG2 ILE A 57 16.189 -3.195 -14.796 1.00 0.00 C ATOM 849 CD1 ILE A 57 18.393 -1.671 -16.641 1.00 0.00 C ATOM 0 H ILE A 57 16.892 -5.800 -17.054 1.00 0.00 H new ATOM 0 HA ILE A 57 14.470 -4.187 -16.617 1.00 0.00 H new ATOM 0 HB ILE A 57 15.851 -2.194 -16.677 1.00 0.00 H new ATOM 0 HG12 ILE A 57 18.359 -3.771 -16.152 1.00 0.00 H new ATOM 0 HG13 ILE A 57 17.866 -3.415 -17.796 1.00 0.00 H new ATOM 0 HG21 ILE A 57 16.772 -2.388 -14.351 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.144 -3.093 -14.502 1.00 0.00 H new ATOM 0 HG23 ILE A 57 16.572 -4.154 -14.447 1.00 0.00 H new ATOM 0 HD11 ILE A 57 19.435 -1.698 -16.959 1.00 0.00 H new ATOM 0 HD12 ILE A 57 17.838 -0.977 -17.273 1.00 0.00 H new ATOM 0 HD13 ILE A 57 18.339 -1.340 -15.604 1.00 0.00 H new ATOM 861 N SER A 58 15.525 -5.124 -19.334 1.00 0.00 N ATOM 862 CA SER A 58 15.589 -5.051 -20.809 1.00 0.00 C ATOM 863 C SER A 58 14.283 -4.600 -21.480 1.00 0.00 C ATOM 864 O SER A 58 14.311 -4.104 -22.608 1.00 0.00 O ATOM 865 CB SER A 58 16.055 -6.394 -21.386 1.00 0.00 C ATOM 866 OG SER A 58 15.136 -7.432 -21.102 1.00 0.00 O ATOM 0 H SER A 58 15.613 -6.075 -18.975 1.00 0.00 H new ATOM 0 HA SER A 58 16.317 -4.272 -21.037 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.179 -6.303 -22.465 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.031 -6.649 -20.973 1.00 0.00 H new ATOM 0 HG SER A 58 14.948 -7.449 -20.140 1.00 0.00 H new ATOM 872 N GLY A 59 13.148 -4.699 -20.775 1.00 0.00 N ATOM 873 CA GLY A 59 11.845 -4.175 -21.205 1.00 0.00 C ATOM 874 C GLY A 59 11.662 -2.656 -21.037 1.00 0.00 C ATOM 875 O GLY A 59 10.597 -2.140 -21.385 1.00 0.00 O ATOM 0 H GLY A 59 13.110 -5.158 -19.865 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.698 -4.429 -22.255 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.063 -4.684 -20.641 1.00 0.00 H new ATOM 879 N GLN A 60 12.654 -1.923 -20.507 1.00 0.00 N ATOM 880 CA GLN A 60 12.583 -0.472 -20.331 1.00 0.00 C ATOM 881 C GLN A 60 12.879 0.279 -21.640 1.00 0.00 C ATOM 882 O GLN A 60 13.629 -0.177 -22.506 1.00 0.00 O ATOM 883 CB GLN A 60 13.578 -0.025 -19.249 1.00 0.00 C ATOM 884 CG GLN A 60 13.175 -0.379 -17.809 1.00 0.00 C ATOM 885 CD GLN A 60 14.300 -0.048 -16.823 1.00 0.00 C ATOM 886 OE1 GLN A 60 15.440 0.195 -17.186 1.00 0.00 O ATOM 887 NE2 GLN A 60 14.053 -0.075 -15.535 1.00 0.00 N ATOM 0 H GLN A 60 13.534 -2.329 -20.187 1.00 0.00 H new ATOM 0 HA GLN A 60 11.565 -0.229 -20.025 1.00 0.00 H new ATOM 0 HB2 GLN A 60 14.548 -0.476 -19.460 1.00 0.00 H new ATOM 0 HB3 GLN A 60 13.707 1.055 -19.319 1.00 0.00 H new ATOM 0 HG2 GLN A 60 12.274 0.170 -17.535 1.00 0.00 H new ATOM 0 HG3 GLN A 60 12.933 -1.440 -17.746 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.110 -0.275 -15.201 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.804 0.104 -14.868 1.00 0.00 H new ATOM 896 N THR A 61 12.333 1.490 -21.722 1.00 0.00 N ATOM 897 CA THR A 61 12.583 2.531 -22.721 1.00 0.00 C ATOM 898 C THR A 61 12.474 3.857 -21.972 1.00 0.00 C ATOM 899 O THR A 61 11.700 3.986 -21.015 1.00 0.00 O ATOM 900 CB THR A 61 11.596 2.500 -23.910 1.00 0.00 C ATOM 901 OG1 THR A 61 10.251 2.446 -23.471 1.00 0.00 O ATOM 902 CG2 THR A 61 11.829 1.303 -24.832 1.00 0.00 C ATOM 0 H THR A 61 11.646 1.796 -21.033 1.00 0.00 H new ATOM 0 HA THR A 61 13.564 2.378 -23.171 1.00 0.00 H new ATOM 0 HB THR A 61 11.779 3.424 -24.459 1.00 0.00 H new ATOM 0 HG1 THR A 61 9.654 2.429 -24.248 1.00 0.00 H new ATOM 0 HG21 THR A 61 11.110 1.329 -25.650 1.00 0.00 H new ATOM 0 HG22 THR A 61 12.840 1.347 -25.236 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.703 0.379 -24.267 1.00 0.00 H new ATOM 910 N SER A 62 13.311 4.831 -22.320 1.00 0.00 N ATOM 911 CA SER A 62 13.429 6.049 -21.521 1.00 0.00 C ATOM 912 C SER A 62 12.298 7.052 -21.781 1.00 0.00 C ATOM 913 O SER A 62 11.812 7.165 -22.909 1.00 0.00 O ATOM 914 CB SER A 62 14.786 6.675 -21.753 1.00 0.00 C ATOM 915 OG SER A 62 15.785 5.720 -21.439 1.00 0.00 O ATOM 0 H SER A 62 13.913 4.802 -23.143 1.00 0.00 H new ATOM 0 HA SER A 62 13.334 5.766 -20.473 1.00 0.00 H new ATOM 0 HB2 SER A 62 14.882 6.996 -22.790 1.00 0.00 H new ATOM 0 HB3 SER A 62 14.904 7.563 -21.132 1.00 0.00 H new ATOM 0 HG SER A 62 16.321 6.043 -20.685 1.00 0.00 H new ATOM 921 N ASP A 63 11.905 7.808 -20.750 1.00 0.00 N ATOM 922 CA ASP A 63 10.770 8.754 -20.804 1.00 0.00 C ATOM 923 C ASP A 63 10.956 10.031 -19.951 1.00 0.00 C ATOM 924 O ASP A 63 11.637 9.987 -18.917 1.00 0.00 O ATOM 925 CB ASP A 63 9.464 8.049 -20.403 1.00 0.00 C ATOM 926 CG ASP A 63 8.838 7.260 -21.564 1.00 0.00 C ATOM 927 OD1 ASP A 63 8.451 7.882 -22.582 1.00 0.00 O ATOM 928 OD2 ASP A 63 8.667 6.024 -21.438 1.00 0.00 O ATOM 0 H ASP A 63 12.367 7.785 -19.841 1.00 0.00 H new ATOM 0 HA ASP A 63 10.723 9.087 -21.841 1.00 0.00 H new ATOM 0 HB2 ASP A 63 9.662 7.371 -19.573 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.750 8.791 -20.046 1.00 0.00 H new ATOM 933 N PRO A 64 10.355 11.176 -20.346 1.00 0.00 N ATOM 934 CA PRO A 64 10.621 12.475 -19.736 1.00 0.00 C ATOM 935 C PRO A 64 9.670 12.812 -18.579 1.00 0.00 C ATOM 936 O PRO A 64 8.483 12.484 -18.607 1.00 0.00 O ATOM 937 CB PRO A 64 10.484 13.476 -20.888 1.00 0.00 C ATOM 938 CG PRO A 64 9.351 12.871 -21.718 1.00 0.00 C ATOM 939 CD PRO A 64 9.564 11.363 -21.561 1.00 0.00 C ATOM 0 HA PRO A 64 11.608 12.494 -19.275 1.00 0.00 H new ATOM 0 HB2 PRO A 64 10.236 14.475 -20.530 1.00 0.00 H new ATOM 0 HB3 PRO A 64 11.406 13.563 -21.462 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.373 13.179 -21.349 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.409 13.179 -22.762 1.00 0.00 H new ATOM 0 HD2 PRO A 64 8.609 10.843 -21.485 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.083 10.953 -22.428 1.00 0.00 H new ATOM 947 N ILE A 65 10.169 13.566 -17.598 1.00 0.00 N ATOM 948 CA ILE A 65 9.447 14.058 -16.413 1.00 0.00 C ATOM 949 C ILE A 65 8.168 14.825 -16.795 1.00 0.00 C ATOM 950 O ILE A 65 7.131 14.690 -16.149 1.00 0.00 O ATOM 951 CB ILE A 65 10.428 14.919 -15.572 1.00 0.00 C ATOM 952 CG1 ILE A 65 9.919 15.056 -14.135 1.00 0.00 C ATOM 953 CG2 ILE A 65 10.718 16.311 -16.180 1.00 0.00 C ATOM 954 CD1 ILE A 65 10.833 15.892 -13.235 1.00 0.00 C ATOM 0 H ILE A 65 11.143 13.869 -17.605 1.00 0.00 H new ATOM 0 HA ILE A 65 9.105 13.215 -15.813 1.00 0.00 H new ATOM 0 HB ILE A 65 11.379 14.386 -15.577 1.00 0.00 H new ATOM 0 HG12 ILE A 65 8.928 15.509 -14.152 1.00 0.00 H new ATOM 0 HG13 ILE A 65 9.808 14.062 -13.702 1.00 0.00 H new ATOM 0 HG21 ILE A 65 11.411 16.852 -15.536 1.00 0.00 H new ATOM 0 HG22 ILE A 65 11.160 16.191 -17.169 1.00 0.00 H new ATOM 0 HG23 ILE A 65 9.787 16.872 -16.265 1.00 0.00 H new ATOM 0 HD11 ILE A 65 10.408 15.945 -12.233 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.819 15.429 -13.187 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.924 16.898 -13.644 1.00 0.00 H new ATOM 966 N GLU A 66 8.220 15.557 -17.913 1.00 0.00 N ATOM 967 CA GLU A 66 7.119 16.390 -18.433 1.00 0.00 C ATOM 968 C GLU A 66 5.831 15.602 -18.760 1.00 0.00 C ATOM 969 O GLU A 66 4.745 16.186 -18.739 1.00 0.00 O ATOM 970 CB GLU A 66 7.589 17.136 -19.693 1.00 0.00 C ATOM 971 CG GLU A 66 8.824 18.021 -19.459 1.00 0.00 C ATOM 972 CD GLU A 66 9.116 18.896 -20.695 1.00 0.00 C ATOM 973 OE1 GLU A 66 9.772 18.410 -21.649 1.00 0.00 O ATOM 974 OE2 GLU A 66 8.687 20.075 -20.725 1.00 0.00 O ATOM 0 H GLU A 66 9.052 15.590 -18.502 1.00 0.00 H new ATOM 0 HA GLU A 66 6.862 17.085 -17.633 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.816 16.409 -20.472 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.773 17.756 -20.064 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.661 18.657 -18.589 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.689 17.395 -19.239 1.00 0.00 H new ATOM 981 N ASN A 67 5.930 14.291 -19.040 1.00 0.00 N ATOM 982 CA ASN A 67 4.768 13.433 -19.335 1.00 0.00 C ATOM 983 C ASN A 67 4.165 12.740 -18.087 1.00 0.00 C ATOM 984 O ASN A 67 3.073 12.172 -18.166 1.00 0.00 O ATOM 985 CB ASN A 67 5.132 12.439 -20.465 1.00 0.00 C ATOM 986 CG ASN A 67 5.321 11.003 -19.992 1.00 0.00 C ATOM 987 OD1 ASN A 67 4.528 10.117 -20.277 1.00 0.00 O ATOM 988 ND2 ASN A 67 6.351 10.728 -19.229 1.00 0.00 N ATOM 0 H ASN A 67 6.821 13.795 -19.068 1.00 0.00 H new ATOM 0 HA ASN A 67 3.962 14.078 -19.685 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.347 12.461 -21.221 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.049 12.775 -20.948 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.487 9.780 -18.877 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.017 11.462 -18.987 1.00 0.00 H new ATOM 995 N PHE A 68 4.871 12.758 -16.951 1.00 0.00 N ATOM 996 CA PHE A 68 4.547 11.977 -15.750 1.00 0.00 C ATOM 997 C PHE A 68 3.752 12.761 -14.686 1.00 0.00 C ATOM 998 O PHE A 68 3.581 13.979 -14.773 1.00 0.00 O ATOM 999 CB PHE A 68 5.844 11.358 -15.207 1.00 0.00 C ATOM 1000 CG PHE A 68 6.347 10.158 -15.988 1.00 0.00 C ATOM 1001 CD1 PHE A 68 5.531 9.023 -16.158 1.00 0.00 C ATOM 1002 CD2 PHE A 68 7.644 10.161 -16.535 1.00 0.00 C ATOM 1003 CE1 PHE A 68 5.997 7.913 -16.885 1.00 0.00 C ATOM 1004 CE2 PHE A 68 8.106 9.053 -17.270 1.00 0.00 C ATOM 1005 CZ PHE A 68 7.285 7.928 -17.444 1.00 0.00 C ATOM 0 H PHE A 68 5.707 13.332 -16.838 1.00 0.00 H new ATOM 0 HA PHE A 68 3.860 11.180 -16.032 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.621 12.122 -15.201 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.683 11.059 -14.171 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.541 9.005 -15.727 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.287 11.017 -16.390 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.363 7.048 -17.014 1.00 0.00 H new ATOM 0 HE2 PHE A 68 9.096 9.069 -17.702 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.642 7.077 -18.005 1.00 0.00 H new ATOM 1015 N ASN A 69 3.247 12.041 -13.676 1.00 0.00 N ATOM 1016 CA ASN A 69 2.287 12.536 -12.680 1.00 0.00 C ATOM 1017 C ASN A 69 2.844 12.492 -11.244 1.00 0.00 C ATOM 1018 O ASN A 69 2.584 11.541 -10.503 1.00 0.00 O ATOM 1019 CB ASN A 69 0.945 11.784 -12.864 1.00 0.00 C ATOM 1020 CG ASN A 69 1.039 10.266 -13.019 1.00 0.00 C ATOM 1021 OD1 ASN A 69 0.764 9.711 -14.073 1.00 0.00 O ATOM 1022 ND2 ASN A 69 1.409 9.543 -11.989 1.00 0.00 N ATOM 0 H ASN A 69 3.504 11.066 -13.524 1.00 0.00 H new ATOM 0 HA ASN A 69 2.102 13.597 -12.849 1.00 0.00 H new ATOM 0 HB2 ASN A 69 0.309 12.002 -12.006 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.443 12.188 -13.743 1.00 0.00 H new ATOM 0 HD21 ASN A 69 1.465 8.528 -12.072 1.00 0.00 H new ATOM 0 HD22 ASN A 69 1.641 9.996 -11.105 1.00 0.00 H new ATOM 1029 N ALA A 70 3.563 13.542 -10.820 1.00 0.00 N ATOM 1030 CA ALA A 70 4.190 13.620 -9.492 1.00 0.00 C ATOM 1031 C ALA A 70 3.222 13.290 -8.336 1.00 0.00 C ATOM 1032 O ALA A 70 3.622 12.680 -7.347 1.00 0.00 O ATOM 1033 CB ALA A 70 4.749 15.032 -9.279 1.00 0.00 C ATOM 0 H ALA A 70 3.727 14.369 -11.395 1.00 0.00 H new ATOM 0 HA ALA A 70 4.980 12.870 -9.475 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.215 15.094 -8.296 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.492 15.249 -10.047 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.938 15.758 -9.343 1.00 0.00 H new ATOM 1039 N ASP A 71 1.943 13.658 -8.485 1.00 0.00 N ATOM 1040 CA ASP A 71 0.892 13.494 -7.472 1.00 0.00 C ATOM 1041 C ASP A 71 0.627 12.032 -7.057 1.00 0.00 C ATOM 1042 O ASP A 71 0.129 11.791 -5.955 1.00 0.00 O ATOM 1043 CB ASP A 71 -0.413 14.090 -8.014 1.00 0.00 C ATOM 1044 CG ASP A 71 -0.319 15.611 -8.203 1.00 0.00 C ATOM 1045 OD1 ASP A 71 -0.358 16.350 -7.188 1.00 0.00 O ATOM 1046 OD2 ASP A 71 -0.216 16.066 -9.366 1.00 0.00 O ATOM 0 H ASP A 71 1.600 14.092 -9.342 1.00 0.00 H new ATOM 0 HA ASP A 71 1.246 14.010 -6.580 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.657 13.621 -8.967 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.228 13.860 -7.328 1.00 0.00 H new ATOM 1051 N ASP A 72 0.957 11.060 -7.915 1.00 0.00 N ATOM 1052 CA ASP A 72 0.794 9.625 -7.633 1.00 0.00 C ATOM 1053 C ASP A 72 2.099 8.944 -7.179 1.00 0.00 C ATOM 1054 O ASP A 72 2.118 7.735 -6.959 1.00 0.00 O ATOM 1055 CB ASP A 72 0.172 8.915 -8.842 1.00 0.00 C ATOM 1056 CG ASP A 72 -0.453 7.551 -8.483 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -1.223 7.466 -7.494 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -0.226 6.566 -9.229 1.00 0.00 O ATOM 0 H ASP A 72 1.350 11.248 -8.837 1.00 0.00 H new ATOM 0 HA ASP A 72 0.112 9.538 -6.787 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.594 9.556 -9.279 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.937 8.769 -9.604 1.00 0.00 H new ATOM 1063 N TYR A 73 3.193 9.693 -7.023 1.00 0.00 N ATOM 1064 CA TYR A 73 4.469 9.183 -6.519 1.00 0.00 C ATOM 1065 C TYR A 73 4.662 9.683 -5.085 1.00 0.00 C ATOM 1066 O TYR A 73 5.068 10.822 -4.861 1.00 0.00 O ATOM 1067 CB TYR A 73 5.629 9.574 -7.455 1.00 0.00 C ATOM 1068 CG TYR A 73 5.370 9.396 -8.943 1.00 0.00 C ATOM 1069 CD1 TYR A 73 4.684 8.265 -9.436 1.00 0.00 C ATOM 1070 CD2 TYR A 73 5.806 10.390 -9.837 1.00 0.00 C ATOM 1071 CE1 TYR A 73 4.378 8.166 -10.807 1.00 0.00 C ATOM 1072 CE2 TYR A 73 5.495 10.296 -11.207 1.00 0.00 C ATOM 1073 CZ TYR A 73 4.762 9.196 -11.692 1.00 0.00 C ATOM 1074 OH TYR A 73 4.432 9.140 -13.012 1.00 0.00 O ATOM 0 H TYR A 73 3.217 10.688 -7.247 1.00 0.00 H new ATOM 0 HA TYR A 73 4.461 8.093 -6.501 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.882 10.618 -7.272 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.504 8.982 -7.185 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.393 7.474 -8.760 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.381 11.228 -9.472 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.849 7.302 -11.181 1.00 0.00 H new ATOM 0 HE2 TYR A 73 5.819 11.069 -11.887 1.00 0.00 H new ATOM 0 HH TYR A 73 3.590 8.650 -13.118 1.00 0.00 H new ATOM 1084 N ASP A 74 4.363 8.831 -4.096 1.00 0.00 N ATOM 1085 CA ASP A 74 4.548 9.153 -2.667 1.00 0.00 C ATOM 1086 C ASP A 74 5.979 9.632 -2.373 1.00 0.00 C ATOM 1087 O ASP A 74 6.192 10.544 -1.573 1.00 0.00 O ATOM 1088 CB ASP A 74 4.248 7.916 -1.809 1.00 0.00 C ATOM 1089 CG ASP A 74 2.813 7.413 -1.972 1.00 0.00 C ATOM 1090 OD1 ASP A 74 1.858 8.074 -1.506 1.00 0.00 O ATOM 1091 OD2 ASP A 74 2.656 6.338 -2.594 1.00 0.00 O ATOM 0 H ASP A 74 3.986 7.898 -4.260 1.00 0.00 H new ATOM 0 HA ASP A 74 3.857 9.959 -2.421 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.940 7.118 -2.077 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.427 8.155 -0.761 1.00 0.00 H new ATOM 1096 N VAL A 75 6.957 9.053 -3.074 1.00 0.00 N ATOM 1097 CA VAL A 75 8.362 9.447 -3.009 1.00 0.00 C ATOM 1098 C VAL A 75 8.907 9.768 -4.405 1.00 0.00 C ATOM 1099 O VAL A 75 8.687 9.012 -5.353 1.00 0.00 O ATOM 1100 CB VAL A 75 9.196 8.340 -2.351 1.00 0.00 C ATOM 1101 CG1 VAL A 75 10.651 8.784 -2.186 1.00 0.00 C ATOM 1102 CG2 VAL A 75 8.637 7.932 -0.983 1.00 0.00 C ATOM 0 H VAL A 75 6.787 8.279 -3.717 1.00 0.00 H new ATOM 0 HA VAL A 75 8.434 10.349 -2.401 1.00 0.00 H new ATOM 0 HB VAL A 75 9.147 7.476 -3.013 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.225 7.984 -1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.076 9.010 -3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.691 9.674 -1.559 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.259 7.146 -0.555 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.635 8.796 -0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.618 7.564 -1.102 1.00 0.00 H new ATOM 1112 N VAL A 76 9.699 10.835 -4.518 1.00 0.00 N ATOM 1113 CA VAL A 76 10.476 11.170 -5.728 1.00 0.00 C ATOM 1114 C VAL A 76 11.967 11.250 -5.396 1.00 0.00 C ATOM 1115 O VAL A 76 12.352 11.768 -4.352 1.00 0.00 O ATOM 1116 CB VAL A 76 9.960 12.468 -6.372 1.00 0.00 C ATOM 1117 CG1 VAL A 76 10.884 13.021 -7.471 1.00 0.00 C ATOM 1118 CG2 VAL A 76 8.586 12.238 -7.011 1.00 0.00 C ATOM 0 H VAL A 76 9.826 11.507 -3.761 1.00 0.00 H new ATOM 0 HA VAL A 76 10.342 10.375 -6.462 1.00 0.00 H new ATOM 0 HB VAL A 76 9.915 13.192 -5.559 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.456 13.937 -7.879 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.865 13.236 -7.047 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.986 12.282 -8.266 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.235 13.166 -7.462 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.666 11.469 -7.779 1.00 0.00 H new ATOM 0 HG23 VAL A 76 7.879 11.916 -6.247 1.00 0.00 H new ATOM 1128 N ILE A 77 12.812 10.736 -6.286 1.00 0.00 N ATOM 1129 CA ILE A 77 14.258 10.627 -6.086 1.00 0.00 C ATOM 1130 C ILE A 77 15.012 11.265 -7.254 1.00 0.00 C ATOM 1131 O ILE A 77 14.758 10.900 -8.396 1.00 0.00 O ATOM 1132 CB ILE A 77 14.646 9.139 -5.968 1.00 0.00 C ATOM 1133 CG1 ILE A 77 13.788 8.313 -4.980 1.00 0.00 C ATOM 1134 CG2 ILE A 77 16.131 9.014 -5.606 1.00 0.00 C ATOM 1135 CD1 ILE A 77 13.909 8.727 -3.511 1.00 0.00 C ATOM 0 H ILE A 77 12.505 10.374 -7.189 1.00 0.00 H new ATOM 0 HA ILE A 77 14.528 11.153 -5.170 1.00 0.00 H new ATOM 0 HB ILE A 77 14.446 8.709 -6.950 1.00 0.00 H new ATOM 0 HG12 ILE A 77 12.742 8.391 -5.278 1.00 0.00 H new ATOM 0 HG13 ILE A 77 14.068 7.263 -5.070 1.00 0.00 H new ATOM 0 HG21 ILE A 77 16.398 7.960 -5.524 1.00 0.00 H new ATOM 0 HG22 ILE A 77 16.736 9.482 -6.383 1.00 0.00 H new ATOM 0 HG23 ILE A 77 16.316 9.510 -4.653 1.00 0.00 H new ATOM 0 HD11 ILE A 77 13.270 8.089 -2.900 1.00 0.00 H new ATOM 0 HD12 ILE A 77 14.944 8.621 -3.187 1.00 0.00 H new ATOM 0 HD13 ILE A 77 13.598 9.766 -3.399 1.00 0.00 H new ATOM 1147 N SER A 78 15.987 12.136 -6.991 1.00 0.00 N ATOM 1148 CA SER A 78 16.922 12.650 -8.009 1.00 0.00 C ATOM 1149 C SER A 78 18.277 11.940 -7.964 1.00 0.00 C ATOM 1150 O SER A 78 18.840 11.711 -6.896 1.00 0.00 O ATOM 1151 CB SER A 78 17.102 14.160 -7.871 1.00 0.00 C ATOM 1152 OG SER A 78 17.972 14.608 -8.901 1.00 0.00 O ATOM 0 H SER A 78 16.157 12.512 -6.058 1.00 0.00 H new ATOM 0 HA SER A 78 16.479 12.438 -8.982 1.00 0.00 H new ATOM 0 HB2 SER A 78 16.138 14.664 -7.944 1.00 0.00 H new ATOM 0 HB3 SER A 78 17.516 14.404 -6.893 1.00 0.00 H new ATOM 0 HG SER A 78 18.096 15.577 -8.826 1.00 0.00 H new ATOM 1158 N LEU A 79 18.809 11.606 -9.143 1.00 0.00 N ATOM 1159 CA LEU A 79 20.119 10.969 -9.354 1.00 0.00 C ATOM 1160 C LEU A 79 20.856 11.674 -10.503 1.00 0.00 C ATOM 1161 O LEU A 79 21.356 11.031 -11.426 1.00 0.00 O ATOM 1162 CB LEU A 79 19.947 9.443 -9.592 1.00 0.00 C ATOM 1163 CG LEU A 79 19.015 8.679 -8.619 1.00 0.00 C ATOM 1164 CD1 LEU A 79 17.604 8.558 -9.195 1.00 0.00 C ATOM 1165 CD2 LEU A 79 19.505 7.249 -8.385 1.00 0.00 C ATOM 0 H LEU A 79 18.318 11.779 -10.020 1.00 0.00 H new ATOM 0 HA LEU A 79 20.734 11.076 -8.460 1.00 0.00 H new ATOM 0 HB2 LEU A 79 19.571 9.299 -10.605 1.00 0.00 H new ATOM 0 HB3 LEU A 79 20.933 8.980 -9.549 1.00 0.00 H new ATOM 0 HG LEU A 79 19.016 9.247 -7.689 1.00 0.00 H new ATOM 0 HD11 LEU A 79 16.969 8.018 -8.493 1.00 0.00 H new ATOM 0 HD12 LEU A 79 17.193 9.553 -9.363 1.00 0.00 H new ATOM 0 HD13 LEU A 79 17.642 8.017 -10.140 1.00 0.00 H new ATOM 0 HD21 LEU A 79 18.829 6.741 -7.698 1.00 0.00 H new ATOM 0 HD22 LEU A 79 19.529 6.713 -9.334 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.507 7.273 -7.957 1.00 0.00 H new ATOM 1213 N VAL A 84 20.362 20.136 -10.611 1.00 0.00 N ATOM 1214 CA VAL A 84 18.925 19.821 -10.765 1.00 0.00 C ATOM 1215 C VAL A 84 18.217 19.921 -9.408 1.00 0.00 C ATOM 1216 O VAL A 84 18.665 19.316 -8.434 1.00 0.00 O ATOM 1217 CB VAL A 84 18.734 18.412 -11.372 1.00 0.00 C ATOM 1218 CG1 VAL A 84 17.248 18.047 -11.510 1.00 0.00 C ATOM 1219 CG2 VAL A 84 19.379 18.302 -12.760 1.00 0.00 C ATOM 0 HA VAL A 84 18.482 20.546 -11.448 1.00 0.00 H new ATOM 0 HB VAL A 84 19.219 17.722 -10.682 1.00 0.00 H new ATOM 0 HG11 VAL A 84 17.157 17.050 -11.940 1.00 0.00 H new ATOM 0 HG12 VAL A 84 16.777 18.063 -10.527 1.00 0.00 H new ATOM 0 HG13 VAL A 84 16.755 18.769 -12.161 1.00 0.00 H new ATOM 0 HG21 VAL A 84 19.224 17.298 -13.155 1.00 0.00 H new ATOM 0 HG22 VAL A 84 18.924 19.030 -13.432 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.448 18.500 -12.681 1.00 0.00 H new ATOM 1229 N ASN A 85 17.106 20.669 -9.348 1.00 0.00 N ATOM 1230 CA ASN A 85 16.374 20.956 -8.099 1.00 0.00 C ATOM 1231 C ASN A 85 14.848 20.701 -8.154 1.00 0.00 C ATOM 1232 O ASN A 85 14.191 20.814 -7.122 1.00 0.00 O ATOM 1233 CB ASN A 85 16.699 22.407 -7.685 1.00 0.00 C ATOM 1234 CG ASN A 85 18.187 22.634 -7.450 1.00 0.00 C ATOM 1235 OD1 ASN A 85 18.895 23.183 -8.283 1.00 0.00 O ATOM 1236 ND2 ASN A 85 18.716 22.201 -6.326 1.00 0.00 N ATOM 0 H ASN A 85 16.683 21.098 -10.172 1.00 0.00 H new ATOM 0 HA ASN A 85 16.716 20.244 -7.347 1.00 0.00 H new ATOM 0 HB2 ASN A 85 16.350 23.088 -8.461 1.00 0.00 H new ATOM 0 HB3 ASN A 85 16.151 22.652 -6.776 1.00 0.00 H new ATOM 0 HD21 ASN A 85 19.713 22.324 -6.151 1.00 0.00 H new ATOM 0 HD22 ASN A 85 18.129 21.743 -5.629 1.00 0.00 H new ATOM 1243 N LEU A 86 14.284 20.361 -9.329 1.00 0.00 N ATOM 1244 CA LEU A 86 12.846 20.089 -9.564 1.00 0.00 C ATOM 1245 C LEU A 86 11.869 21.082 -8.875 1.00 0.00 C ATOM 1246 O LEU A 86 11.085 20.670 -8.023 1.00 0.00 O ATOM 1247 CB LEU A 86 12.536 18.611 -9.224 1.00 0.00 C ATOM 1248 CG LEU A 86 13.312 17.519 -9.963 1.00 0.00 C ATOM 1249 CD1 LEU A 86 12.740 16.163 -9.543 1.00 0.00 C ATOM 1250 CD2 LEU A 86 13.139 17.678 -11.470 1.00 0.00 C ATOM 0 H LEU A 86 14.839 20.263 -10.179 1.00 0.00 H new ATOM 0 HA LEU A 86 12.664 20.260 -10.625 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.704 18.473 -8.156 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.474 18.444 -9.404 1.00 0.00 H new ATOM 0 HG LEU A 86 14.371 17.591 -9.717 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.278 15.366 -10.057 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.851 16.039 -8.466 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.683 16.116 -9.806 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.696 16.895 -11.985 1.00 0.00 H new ATOM 0 HD22 LEU A 86 12.082 17.599 -11.725 1.00 0.00 H new ATOM 0 HD23 LEU A 86 13.515 18.653 -11.778 1.00 0.00 H new ATOM 1262 N PRO A 87 11.842 22.374 -9.269 1.00 0.00 N ATOM 1263 CA PRO A 87 10.933 23.382 -8.698 1.00 0.00 C ATOM 1264 C PRO A 87 9.412 23.069 -8.607 1.00 0.00 C ATOM 1265 O PRO A 87 8.781 23.637 -7.706 1.00 0.00 O ATOM 1266 CB PRO A 87 11.155 24.641 -9.542 1.00 0.00 C ATOM 1267 CG PRO A 87 12.602 24.507 -10.005 1.00 0.00 C ATOM 1268 CD PRO A 87 12.730 23.004 -10.241 1.00 0.00 C ATOM 0 HA PRO A 87 11.192 23.459 -7.642 1.00 0.00 H new ATOM 0 HB2 PRO A 87 10.466 24.686 -10.385 1.00 0.00 H new ATOM 0 HB3 PRO A 87 11.003 25.548 -8.958 1.00 0.00 H new ATOM 0 HG2 PRO A 87 12.793 25.079 -10.913 1.00 0.00 H new ATOM 0 HG3 PRO A 87 13.305 24.862 -9.251 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.444 22.742 -11.260 1.00 0.00 H new ATOM 0 HD3 PRO A 87 13.759 22.672 -10.103 1.00 0.00 H new ATOM 1276 N PRO A 88 8.780 22.238 -9.477 1.00 0.00 N ATOM 1277 CA PRO A 88 7.327 21.994 -9.433 1.00 0.00 C ATOM 1278 C PRO A 88 6.867 21.040 -8.304 1.00 0.00 C ATOM 1279 O PRO A 88 7.586 20.774 -7.340 1.00 0.00 O ATOM 1280 CB PRO A 88 6.958 21.469 -10.832 1.00 0.00 C ATOM 1281 CG PRO A 88 8.167 21.724 -11.717 1.00 0.00 C ATOM 1282 CD PRO A 88 9.317 21.698 -10.723 1.00 0.00 C ATOM 0 HA PRO A 88 6.803 22.918 -9.189 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.719 20.406 -10.798 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.078 21.981 -11.220 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.277 20.957 -12.484 1.00 0.00 H new ATOM 0 HG3 PRO A 88 8.098 22.682 -12.232 1.00 0.00 H new ATOM 0 HD2 PRO A 88 9.688 20.683 -10.581 1.00 0.00 H new ATOM 0 HD3 PRO A 88 10.155 22.297 -11.079 1.00 0.00 H new ATOM 1290 N GLU A 89 5.668 20.455 -8.434 1.00 0.00 N ATOM 1291 CA GLU A 89 5.109 19.452 -7.503 1.00 0.00 C ATOM 1292 C GLU A 89 5.970 18.177 -7.326 1.00 0.00 C ATOM 1293 O GLU A 89 5.760 17.390 -6.405 1.00 0.00 O ATOM 1294 CB GLU A 89 3.661 19.090 -7.892 1.00 0.00 C ATOM 1295 CG GLU A 89 3.453 18.652 -9.352 1.00 0.00 C ATOM 1296 CD GLU A 89 2.961 19.823 -10.230 1.00 0.00 C ATOM 1297 OE1 GLU A 89 3.767 20.736 -10.529 1.00 0.00 O ATOM 1298 OE2 GLU A 89 1.769 19.842 -10.624 1.00 0.00 O ATOM 0 H GLU A 89 5.040 20.669 -9.209 1.00 0.00 H new ATOM 0 HA GLU A 89 5.115 19.935 -6.526 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.318 18.287 -7.239 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.025 19.953 -7.697 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.389 18.263 -9.753 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.728 17.839 -9.389 1.00 0.00 H new ATOM 1305 N TRP A 90 7.005 18.002 -8.146 1.00 0.00 N ATOM 1306 CA TRP A 90 8.025 16.954 -8.035 1.00 0.00 C ATOM 1307 C TRP A 90 8.809 16.951 -6.710 1.00 0.00 C ATOM 1308 O TRP A 90 9.410 15.932 -6.366 1.00 0.00 O ATOM 1309 CB TRP A 90 8.943 17.073 -9.250 1.00 0.00 C ATOM 1310 CG TRP A 90 8.262 16.604 -10.495 1.00 0.00 C ATOM 1311 CD1 TRP A 90 7.559 17.357 -11.372 1.00 0.00 C ATOM 1312 CD2 TRP A 90 8.174 15.240 -10.992 1.00 0.00 C ATOM 1313 NE1 TRP A 90 6.954 16.533 -12.305 1.00 0.00 N ATOM 1314 CE2 TRP A 90 7.306 15.214 -12.120 1.00 0.00 C ATOM 1315 CE3 TRP A 90 8.786 14.031 -10.616 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 7.028 14.031 -12.821 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 8.579 12.857 -11.356 1.00 0.00 C ATOM 1318 CH2 TRP A 90 7.702 12.854 -12.452 1.00 0.00 C ATOM 0 H TRP A 90 7.165 18.615 -8.945 1.00 0.00 H new ATOM 0 HA TRP A 90 7.519 15.989 -8.022 1.00 0.00 H new ATOM 0 HB2 TRP A 90 9.255 18.110 -9.372 1.00 0.00 H new ATOM 0 HB3 TRP A 90 9.846 16.486 -9.084 1.00 0.00 H new ATOM 0 HD1 TRP A 90 7.482 18.434 -11.348 1.00 0.00 H new ATOM 0 HE1 TRP A 90 6.326 16.861 -13.038 1.00 0.00 H new ATOM 0 HE3 TRP A 90 9.424 14.006 -9.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 6.310 14.025 -13.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 9.097 11.950 -11.081 1.00 0.00 H new ATOM 0 HH2 TRP A 90 7.545 11.945 -13.013 1.00 0.00 H new ATOM 1329 N VAL A 91 8.762 18.042 -5.935 1.00 0.00 N ATOM 1330 CA VAL A 91 9.357 18.134 -4.581 1.00 0.00 C ATOM 1331 C VAL A 91 8.333 18.397 -3.467 1.00 0.00 C ATOM 1332 O VAL A 91 8.715 18.500 -2.300 1.00 0.00 O ATOM 1333 CB VAL A 91 10.523 19.147 -4.526 1.00 0.00 C ATOM 1334 CG1 VAL A 91 11.645 18.737 -5.474 1.00 0.00 C ATOM 1335 CG2 VAL A 91 10.080 20.587 -4.814 1.00 0.00 C ATOM 0 H VAL A 91 8.303 18.904 -6.230 1.00 0.00 H new ATOM 0 HA VAL A 91 9.764 17.142 -4.383 1.00 0.00 H new ATOM 0 HB VAL A 91 10.896 19.129 -3.502 1.00 0.00 H new ATOM 0 HG11 VAL A 91 12.454 19.466 -5.417 1.00 0.00 H new ATOM 0 HG12 VAL A 91 12.021 17.754 -5.189 1.00 0.00 H new ATOM 0 HG13 VAL A 91 11.263 18.698 -6.494 1.00 0.00 H new ATOM 0 HG21 VAL A 91 10.943 21.251 -4.761 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.642 20.641 -5.811 1.00 0.00 H new ATOM 0 HG23 VAL A 91 9.340 20.895 -4.075 1.00 0.00 H new ATOM 1345 N THR A 92 7.031 18.465 -3.788 1.00 0.00 N ATOM 1346 CA THR A 92 5.938 18.663 -2.810 1.00 0.00 C ATOM 1347 C THR A 92 5.291 17.346 -2.350 1.00 0.00 C ATOM 1348 O THR A 92 4.332 17.359 -1.569 1.00 0.00 O ATOM 1349 CB THR A 92 4.866 19.634 -3.332 1.00 0.00 C ATOM 1350 OG1 THR A 92 4.162 19.050 -4.407 1.00 0.00 O ATOM 1351 CG2 THR A 92 5.452 20.957 -3.833 1.00 0.00 C ATOM 0 H THR A 92 6.698 18.383 -4.749 1.00 0.00 H new ATOM 0 HA THR A 92 6.411 19.110 -1.936 1.00 0.00 H new ATOM 0 HB THR A 92 4.210 19.839 -2.486 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.777 18.509 -4.945 1.00 0.00 H new ATOM 0 HG21 THR A 92 4.647 21.600 -4.189 1.00 0.00 H new ATOM 0 HG22 THR A 92 5.980 21.453 -3.018 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.147 20.761 -4.649 1.00 0.00 H new ATOM 1359 N GLN A 93 5.815 16.201 -2.808 1.00 0.00 N ATOM 1360 CA GLN A 93 5.373 14.863 -2.401 1.00 0.00 C ATOM 1361 C GLN A 93 5.847 14.510 -0.974 1.00 0.00 C ATOM 1362 O GLN A 93 6.537 15.296 -0.320 1.00 0.00 O ATOM 1363 CB GLN A 93 5.814 13.825 -3.452 1.00 0.00 C ATOM 1364 CG GLN A 93 5.360 14.167 -4.886 1.00 0.00 C ATOM 1365 CD GLN A 93 3.893 14.606 -4.967 1.00 0.00 C ATOM 1366 OE1 GLN A 93 2.976 13.955 -4.479 1.00 0.00 O ATOM 1367 NE2 GLN A 93 3.618 15.768 -5.528 1.00 0.00 N ATOM 0 H GLN A 93 6.575 16.180 -3.487 1.00 0.00 H new ATOM 0 HA GLN A 93 4.284 14.850 -2.358 1.00 0.00 H new ATOM 0 HB2 GLN A 93 6.901 13.741 -3.434 1.00 0.00 H new ATOM 0 HB3 GLN A 93 5.415 12.849 -3.176 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.993 14.962 -5.281 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.508 13.296 -5.524 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.366 16.325 -5.940 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.657 16.109 -5.550 1.00 0.00 H new ATOM 1376 N GLU A 94 5.468 13.333 -0.471 1.00 0.00 N ATOM 1377 CA GLU A 94 5.676 12.971 0.944 1.00 0.00 C ATOM 1378 C GLU A 94 7.166 12.881 1.322 1.00 0.00 C ATOM 1379 O GLU A 94 7.549 13.345 2.402 1.00 0.00 O ATOM 1380 CB GLU A 94 4.900 11.689 1.285 1.00 0.00 C ATOM 1381 CG GLU A 94 5.055 11.306 2.758 1.00 0.00 C ATOM 1382 CD GLU A 94 4.122 10.147 3.136 1.00 0.00 C ATOM 1383 OE1 GLU A 94 2.950 10.395 3.513 1.00 0.00 O ATOM 1384 OE2 GLU A 94 4.558 8.973 3.079 1.00 0.00 O ATOM 0 H GLU A 94 5.012 12.606 -1.022 1.00 0.00 H new ATOM 0 HA GLU A 94 5.275 13.778 1.557 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.844 11.831 1.056 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.255 10.871 0.658 1.00 0.00 H new ATOM 0 HG2 GLU A 94 6.089 11.022 2.955 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.837 12.170 3.385 1.00 0.00 H new ATOM 1391 N ILE A 95 8.012 12.350 0.429 1.00 0.00 N ATOM 1392 CA ILE A 95 9.476 12.361 0.583 1.00 0.00 C ATOM 1393 C ILE A 95 10.153 12.713 -0.748 1.00 0.00 C ATOM 1394 O ILE A 95 9.790 12.189 -1.802 1.00 0.00 O ATOM 1395 CB ILE A 95 10.024 11.012 1.135 1.00 0.00 C ATOM 1396 CG1 ILE A 95 9.236 10.486 2.358 1.00 0.00 C ATOM 1397 CG2 ILE A 95 11.525 11.125 1.467 1.00 0.00 C ATOM 1398 CD1 ILE A 95 9.741 9.150 2.912 1.00 0.00 C ATOM 0 H ILE A 95 7.698 11.896 -0.429 1.00 0.00 H new ATOM 0 HA ILE A 95 9.716 13.129 1.319 1.00 0.00 H new ATOM 0 HB ILE A 95 9.887 10.280 0.339 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.279 11.233 3.151 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.188 10.377 2.079 1.00 0.00 H new ATOM 0 HG21 ILE A 95 11.886 10.171 1.851 1.00 0.00 H new ATOM 0 HG22 ILE A 95 12.079 11.386 0.565 1.00 0.00 H new ATOM 0 HG23 ILE A 95 11.674 11.899 2.220 1.00 0.00 H new ATOM 0 HD11 ILE A 95 9.132 8.857 3.767 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.672 8.386 2.138 1.00 0.00 H new ATOM 0 HD13 ILE A 95 10.779 9.255 3.226 1.00 0.00 H new ATOM 1410 N PHE A 96 11.166 13.578 -0.691 1.00 0.00 N ATOM 1411 CA PHE A 96 12.077 13.848 -1.802 1.00 0.00 C ATOM 1412 C PHE A 96 13.515 13.578 -1.330 1.00 0.00 C ATOM 1413 O PHE A 96 13.919 14.053 -0.266 1.00 0.00 O ATOM 1414 CB PHE A 96 11.895 15.260 -2.377 1.00 0.00 C ATOM 1415 CG PHE A 96 12.923 15.578 -3.451 1.00 0.00 C ATOM 1416 CD1 PHE A 96 12.715 15.189 -4.792 1.00 0.00 C ATOM 1417 CD2 PHE A 96 14.138 16.191 -3.086 1.00 0.00 C ATOM 1418 CE1 PHE A 96 13.732 15.383 -5.745 1.00 0.00 C ATOM 1419 CE2 PHE A 96 15.143 16.401 -4.044 1.00 0.00 C ATOM 1420 CZ PHE A 96 14.941 15.996 -5.374 1.00 0.00 C ATOM 0 H PHE A 96 11.380 14.121 0.146 1.00 0.00 H new ATOM 0 HA PHE A 96 11.845 13.179 -2.631 1.00 0.00 H new ATOM 0 HB2 PHE A 96 10.893 15.354 -2.796 1.00 0.00 H new ATOM 0 HB3 PHE A 96 11.974 15.991 -1.573 1.00 0.00 H new ATOM 0 HD1 PHE A 96 11.776 14.743 -5.086 1.00 0.00 H new ATOM 0 HD2 PHE A 96 14.297 16.501 -2.064 1.00 0.00 H new ATOM 0 HE1 PHE A 96 13.583 15.060 -6.765 1.00 0.00 H new ATOM 0 HE2 PHE A 96 16.071 16.874 -3.758 1.00 0.00 H new ATOM 0 HZ PHE A 96 15.714 16.156 -6.111 1.00 0.00 H new ATOM 1430 N GLU A 97 14.282 12.819 -2.114 1.00 0.00 N ATOM 1431 CA GLU A 97 15.708 12.567 -1.863 1.00 0.00 C ATOM 1432 C GLU A 97 16.549 12.863 -3.102 1.00 0.00 C ATOM 1433 O GLU A 97 16.085 12.711 -4.233 1.00 0.00 O ATOM 1434 CB GLU A 97 15.970 11.117 -1.422 1.00 0.00 C ATOM 1435 CG GLU A 97 15.292 10.695 -0.112 1.00 0.00 C ATOM 1436 CD GLU A 97 15.766 11.484 1.136 1.00 0.00 C ATOM 1437 OE1 GLU A 97 16.842 12.134 1.113 1.00 0.00 O ATOM 1438 OE2 GLU A 97 15.070 11.418 2.179 1.00 0.00 O ATOM 0 H GLU A 97 13.930 12.355 -2.951 1.00 0.00 H new ATOM 0 HA GLU A 97 15.997 13.238 -1.054 1.00 0.00 H new ATOM 0 HB2 GLU A 97 15.637 10.448 -2.216 1.00 0.00 H new ATOM 0 HB3 GLU A 97 17.046 10.976 -1.316 1.00 0.00 H new ATOM 0 HG2 GLU A 97 14.214 10.819 -0.218 1.00 0.00 H new ATOM 0 HG3 GLU A 97 15.476 9.633 0.053 1.00 0.00 H new ATOM 1445 N ASP A 98 17.816 13.215 -2.898 1.00 0.00 N ATOM 1446 CA ASP A 98 18.800 13.321 -3.968 1.00 0.00 C ATOM 1447 C ASP A 98 20.085 12.564 -3.602 1.00 0.00 C ATOM 1448 O ASP A 98 20.704 12.824 -2.565 1.00 0.00 O ATOM 1449 CB ASP A 98 19.024 14.788 -4.367 1.00 0.00 C ATOM 1450 CG ASP A 98 19.882 15.598 -3.376 1.00 0.00 C ATOM 1451 OD1 ASP A 98 19.372 15.983 -2.293 1.00 0.00 O ATOM 1452 OD2 ASP A 98 21.048 15.912 -3.718 1.00 0.00 O ATOM 0 H ASP A 98 18.190 13.437 -1.975 1.00 0.00 H new ATOM 0 HA ASP A 98 18.414 12.833 -4.863 1.00 0.00 H new ATOM 0 HB2 ASP A 98 19.501 14.816 -5.347 1.00 0.00 H new ATOM 0 HB3 ASP A 98 18.054 15.275 -4.470 1.00 0.00 H new ATOM 1457 N TRP A 99 20.474 11.603 -4.448 1.00 0.00 N ATOM 1458 CA TRP A 99 21.655 10.758 -4.246 1.00 0.00 C ATOM 1459 C TRP A 99 22.623 10.964 -5.419 1.00 0.00 C ATOM 1460 O TRP A 99 22.393 10.481 -6.529 1.00 0.00 O ATOM 1461 CB TRP A 99 21.263 9.282 -4.053 1.00 0.00 C ATOM 1462 CG TRP A 99 20.046 8.965 -3.225 1.00 0.00 C ATOM 1463 CD1 TRP A 99 18.850 8.650 -3.760 1.00 0.00 C ATOM 1464 CD2 TRP A 99 19.864 8.854 -1.773 1.00 0.00 C ATOM 1465 NE1 TRP A 99 17.950 8.332 -2.763 1.00 0.00 N ATOM 1466 CE2 TRP A 99 18.531 8.396 -1.520 1.00 0.00 C ATOM 1467 CE3 TRP A 99 20.685 9.058 -0.643 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 18.048 8.095 -0.238 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 20.201 8.806 0.660 1.00 0.00 C ATOM 1470 CH2 TRP A 99 18.893 8.321 0.866 1.00 0.00 C ATOM 0 H TRP A 99 19.968 11.388 -5.307 1.00 0.00 H new ATOM 0 HA TRP A 99 22.163 11.052 -3.327 1.00 0.00 H new ATOM 0 HB2 TRP A 99 21.115 8.846 -5.041 1.00 0.00 H new ATOM 0 HB3 TRP A 99 22.113 8.769 -3.603 1.00 0.00 H new ATOM 0 HD1 TRP A 99 18.628 8.647 -4.817 1.00 0.00 H new ATOM 0 HE1 TRP A 99 16.975 8.081 -2.929 1.00 0.00 H new ATOM 0 HE3 TRP A 99 21.697 9.411 -0.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 17.052 7.700 -0.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 20.842 8.987 1.510 1.00 0.00 H new ATOM 0 HH2 TRP A 99 18.540 8.123 1.867 1.00 0.00 H new ATOM 1481 N GLN A 100 23.690 11.731 -5.194 1.00 0.00 N ATOM 1482 CA GLN A 100 24.598 12.186 -6.253 1.00 0.00 C ATOM 1483 C GLN A 100 25.753 11.178 -6.424 1.00 0.00 C ATOM 1484 O GLN A 100 26.545 10.970 -5.503 1.00 0.00 O ATOM 1485 CB GLN A 100 25.090 13.613 -5.933 1.00 0.00 C ATOM 1486 CG GLN A 100 23.972 14.619 -5.579 1.00 0.00 C ATOM 1487 CD GLN A 100 22.920 14.835 -6.661 1.00 0.00 C ATOM 1488 OE1 GLN A 100 23.053 14.441 -7.809 1.00 0.00 O ATOM 1489 NE2 GLN A 100 21.833 15.497 -6.357 1.00 0.00 N ATOM 0 H GLN A 100 23.953 12.058 -4.264 1.00 0.00 H new ATOM 0 HA GLN A 100 24.074 12.231 -7.208 1.00 0.00 H new ATOM 0 HB2 GLN A 100 25.791 13.562 -5.100 1.00 0.00 H new ATOM 0 HB3 GLN A 100 25.643 13.993 -6.792 1.00 0.00 H new ATOM 0 HG2 GLN A 100 23.472 14.276 -4.673 1.00 0.00 H new ATOM 0 HG3 GLN A 100 24.431 15.580 -5.346 1.00 0.00 H new ATOM 0 HE21 GLN A 100 21.693 15.839 -5.406 1.00 0.00 H new ATOM 0 HE22 GLN A 100 21.125 15.671 -7.071 1.00 0.00 H new ATOM 1498 N LEU A 101 25.822 10.525 -7.592 1.00 0.00 N ATOM 1499 CA LEU A 101 26.741 9.416 -7.911 1.00 0.00 C ATOM 1500 C LEU A 101 27.548 9.679 -9.196 1.00 0.00 C ATOM 1501 O LEU A 101 27.307 10.645 -9.922 1.00 0.00 O ATOM 1502 CB LEU A 101 25.928 8.105 -8.028 1.00 0.00 C ATOM 1503 CG LEU A 101 25.148 7.645 -6.780 1.00 0.00 C ATOM 1504 CD1 LEU A 101 24.458 6.321 -7.091 1.00 0.00 C ATOM 1505 CD2 LEU A 101 26.053 7.427 -5.574 1.00 0.00 C ATOM 0 H LEU A 101 25.214 10.763 -8.376 1.00 0.00 H new ATOM 0 HA LEU A 101 27.468 9.329 -7.103 1.00 0.00 H new ATOM 0 HB2 LEU A 101 25.218 8.220 -8.847 1.00 0.00 H new ATOM 0 HB3 LEU A 101 26.614 7.306 -8.311 1.00 0.00 H new ATOM 0 HG LEU A 101 24.434 8.431 -6.535 1.00 0.00 H new ATOM 0 HD11 LEU A 101 23.903 5.985 -6.215 1.00 0.00 H new ATOM 0 HD12 LEU A 101 23.771 6.456 -7.926 1.00 0.00 H new ATOM 0 HD13 LEU A 101 25.207 5.574 -7.354 1.00 0.00 H new ATOM 0 HD21 LEU A 101 25.453 7.104 -4.723 1.00 0.00 H new ATOM 0 HD22 LEU A 101 26.793 6.662 -5.808 1.00 0.00 H new ATOM 0 HD23 LEU A 101 26.561 8.359 -5.327 1.00 0.00 H new ATOM 1517 N GLU A 102 28.497 8.788 -9.476 1.00 0.00 N ATOM 1518 CA GLU A 102 29.329 8.769 -10.671 1.00 0.00 C ATOM 1519 C GLU A 102 28.495 8.514 -11.940 1.00 0.00 C ATOM 1520 O GLU A 102 27.338 8.084 -11.892 1.00 0.00 O ATOM 1521 CB GLU A 102 30.404 7.673 -10.512 1.00 0.00 C ATOM 1522 CG GLU A 102 31.399 7.822 -9.351 1.00 0.00 C ATOM 1523 CD GLU A 102 30.783 7.686 -7.937 1.00 0.00 C ATOM 1524 OE1 GLU A 102 29.873 6.843 -7.728 1.00 0.00 O ATOM 1525 OE2 GLU A 102 31.219 8.427 -7.021 1.00 0.00 O ATOM 0 H GLU A 102 28.715 8.021 -8.840 1.00 0.00 H new ATOM 0 HA GLU A 102 29.800 9.745 -10.784 1.00 0.00 H new ATOM 0 HB2 GLU A 102 29.895 6.716 -10.399 1.00 0.00 H new ATOM 0 HB3 GLU A 102 30.974 7.623 -11.440 1.00 0.00 H new ATOM 0 HG2 GLU A 102 32.180 7.070 -9.464 1.00 0.00 H new ATOM 0 HG3 GLU A 102 31.881 8.797 -9.428 1.00 0.00 H new ATOM 1532 N ASP A 103 29.102 8.747 -13.102 1.00 0.00 N ATOM 1533 CA ASP A 103 28.475 8.591 -14.424 1.00 0.00 C ATOM 1534 C ASP A 103 29.190 7.507 -15.257 1.00 0.00 C ATOM 1535 O ASP A 103 30.249 7.794 -15.820 1.00 0.00 O ATOM 1536 CB ASP A 103 28.411 9.962 -15.116 1.00 0.00 C ATOM 1537 CG ASP A 103 27.270 9.986 -16.135 1.00 0.00 C ATOM 1538 OD1 ASP A 103 26.116 10.220 -15.707 1.00 0.00 O ATOM 1539 OD2 ASP A 103 27.478 9.723 -17.338 1.00 0.00 O ATOM 0 H ASP A 103 30.072 9.059 -13.157 1.00 0.00 H new ATOM 0 HA ASP A 103 27.451 8.234 -14.313 1.00 0.00 H new ATOM 0 HB2 ASP A 103 28.262 10.746 -14.373 1.00 0.00 H new ATOM 0 HB3 ASP A 103 29.358 10.171 -15.614 1.00 0.00 H new ATOM 1544 N PRO A 104 28.667 6.257 -15.318 1.00 0.00 N ATOM 1545 CA PRO A 104 29.364 5.113 -15.930 1.00 0.00 C ATOM 1546 C PRO A 104 29.451 5.112 -17.460 1.00 0.00 C ATOM 1547 O PRO A 104 30.220 4.340 -18.028 1.00 0.00 O ATOM 1548 CB PRO A 104 28.613 3.870 -15.454 1.00 0.00 C ATOM 1549 CG PRO A 104 27.926 4.319 -14.177 1.00 0.00 C ATOM 1550 CD PRO A 104 27.543 5.749 -14.535 1.00 0.00 C ATOM 0 HA PRO A 104 30.408 5.156 -15.618 1.00 0.00 H new ATOM 0 HB2 PRO A 104 27.891 3.531 -16.197 1.00 0.00 H new ATOM 0 HB3 PRO A 104 29.294 3.039 -15.269 1.00 0.00 H new ATOM 0 HG2 PRO A 104 27.056 3.707 -13.941 1.00 0.00 H new ATOM 0 HG3 PRO A 104 28.591 4.275 -13.314 1.00 0.00 H new ATOM 0 HD2 PRO A 104 26.617 5.778 -15.109 1.00 0.00 H new ATOM 0 HD3 PRO A 104 27.382 6.350 -13.640 1.00 0.00 H new ATOM 1558 N ASP A 105 28.667 5.953 -18.135 1.00 0.00 N ATOM 1559 CA ASP A 105 28.572 6.020 -19.595 1.00 0.00 C ATOM 1560 C ASP A 105 29.946 6.300 -20.248 1.00 0.00 C ATOM 1561 O ASP A 105 30.477 7.413 -20.169 1.00 0.00 O ATOM 1562 CB ASP A 105 27.536 7.101 -19.921 1.00 0.00 C ATOM 1563 CG ASP A 105 27.256 7.322 -21.416 1.00 0.00 C ATOM 1564 OD1 ASP A 105 27.729 6.529 -22.267 1.00 0.00 O ATOM 1565 OD2 ASP A 105 26.516 8.294 -21.715 1.00 0.00 O ATOM 0 H ASP A 105 28.062 6.627 -17.667 1.00 0.00 H new ATOM 0 HA ASP A 105 28.256 5.062 -20.008 1.00 0.00 H new ATOM 0 HB2 ASP A 105 26.599 6.841 -19.429 1.00 0.00 H new ATOM 0 HB3 ASP A 105 27.872 8.044 -19.489 1.00 0.00 H new ATOM 1570 N GLY A 106 30.536 5.271 -20.874 1.00 0.00 N ATOM 1571 CA GLY A 106 31.859 5.335 -21.508 1.00 0.00 C ATOM 1572 C GLY A 106 33.049 5.166 -20.546 1.00 0.00 C ATOM 1573 O GLY A 106 34.179 5.488 -20.923 1.00 0.00 O ATOM 0 H GLY A 106 30.097 4.354 -20.955 1.00 0.00 H new ATOM 0 HA2 GLY A 106 31.917 4.561 -22.273 1.00 0.00 H new ATOM 0 HA3 GLY A 106 31.956 6.294 -22.017 1.00 0.00 H new ATOM 1577 N GLN A 107 32.815 4.684 -19.318 1.00 0.00 N ATOM 1578 CA GLN A 107 33.850 4.466 -18.292 1.00 0.00 C ATOM 1579 C GLN A 107 34.411 3.026 -18.355 1.00 0.00 C ATOM 1580 O GLN A 107 35.233 2.712 -19.218 1.00 0.00 O ATOM 1581 CB GLN A 107 33.329 4.831 -16.885 1.00 0.00 C ATOM 1582 CG GLN A 107 32.704 6.219 -16.718 1.00 0.00 C ATOM 1583 CD GLN A 107 33.648 7.412 -16.722 1.00 0.00 C ATOM 1584 OE1 GLN A 107 34.834 7.338 -17.017 1.00 0.00 O ATOM 1585 NE2 GLN A 107 33.133 8.566 -16.354 1.00 0.00 N ATOM 0 H GLN A 107 31.880 4.428 -19.001 1.00 0.00 H new ATOM 0 HA GLN A 107 34.682 5.137 -18.506 1.00 0.00 H new ATOM 0 HB2 GLN A 107 32.587 4.087 -16.594 1.00 0.00 H new ATOM 0 HB3 GLN A 107 34.158 4.745 -16.183 1.00 0.00 H new ATOM 0 HG2 GLN A 107 31.977 6.361 -17.518 1.00 0.00 H new ATOM 0 HG3 GLN A 107 32.150 6.229 -15.779 1.00 0.00 H new ATOM 0 HE21 GLN A 107 32.145 8.628 -16.108 1.00 0.00 H new ATOM 0 HE22 GLN A 107 33.722 9.398 -16.315 1.00 0.00 H new ATOM 1594 N SER A 108 33.964 2.151 -17.444 1.00 0.00 N ATOM 1595 CA SER A 108 34.340 0.734 -17.342 1.00 0.00 C ATOM 1596 C SER A 108 33.264 -0.048 -16.583 1.00 0.00 C ATOM 1597 O SER A 108 32.446 0.540 -15.868 1.00 0.00 O ATOM 1598 CB SER A 108 35.689 0.584 -16.623 1.00 0.00 C ATOM 1599 OG SER A 108 35.569 0.882 -15.239 1.00 0.00 O ATOM 0 H SER A 108 33.297 2.426 -16.722 1.00 0.00 H new ATOM 0 HA SER A 108 34.430 0.332 -18.351 1.00 0.00 H new ATOM 0 HB2 SER A 108 36.060 -0.433 -16.748 1.00 0.00 H new ATOM 0 HB3 SER A 108 36.423 1.249 -17.079 1.00 0.00 H new ATOM 0 HG SER A 108 36.441 0.777 -14.805 1.00 0.00 H new ATOM 1605 N LEU A 109 33.286 -1.384 -16.672 1.00 0.00 N ATOM 1606 CA LEU A 109 32.348 -2.239 -15.926 1.00 0.00 C ATOM 1607 C LEU A 109 32.521 -2.093 -14.414 1.00 0.00 C ATOM 1608 O LEU A 109 31.542 -2.025 -13.683 1.00 0.00 O ATOM 1609 CB LEU A 109 32.520 -3.705 -16.356 1.00 0.00 C ATOM 1610 CG LEU A 109 32.311 -3.978 -17.857 1.00 0.00 C ATOM 1611 CD1 LEU A 109 32.458 -5.478 -18.089 1.00 0.00 C ATOM 1612 CD2 LEU A 109 30.945 -3.511 -18.361 1.00 0.00 C ATOM 0 H LEU A 109 33.945 -1.900 -17.255 1.00 0.00 H new ATOM 0 HA LEU A 109 31.335 -1.913 -16.164 1.00 0.00 H new ATOM 0 HB2 LEU A 109 33.522 -4.032 -16.080 1.00 0.00 H new ATOM 0 HB3 LEU A 109 31.818 -4.317 -15.791 1.00 0.00 H new ATOM 0 HG LEU A 109 33.058 -3.412 -18.414 1.00 0.00 H new ATOM 0 HD11 LEU A 109 32.314 -5.698 -19.147 1.00 0.00 H new ATOM 0 HD12 LEU A 109 33.455 -5.797 -17.784 1.00 0.00 H new ATOM 0 HD13 LEU A 109 31.711 -6.012 -17.502 1.00 0.00 H new ATOM 0 HD21 LEU A 109 30.856 -3.730 -19.425 1.00 0.00 H new ATOM 0 HD22 LEU A 109 30.158 -4.033 -17.816 1.00 0.00 H new ATOM 0 HD23 LEU A 109 30.846 -2.437 -18.202 1.00 0.00 H new ATOM 1624 N GLU A 110 33.756 -1.942 -13.942 1.00 0.00 N ATOM 1625 CA GLU A 110 34.048 -1.638 -12.529 1.00 0.00 C ATOM 1626 C GLU A 110 33.387 -0.331 -12.059 1.00 0.00 C ATOM 1627 O GLU A 110 32.836 -0.278 -10.958 1.00 0.00 O ATOM 1628 CB GLU A 110 35.572 -1.605 -12.338 1.00 0.00 C ATOM 1629 CG GLU A 110 35.981 -1.459 -10.866 1.00 0.00 C ATOM 1630 CD GLU A 110 37.512 -1.554 -10.709 1.00 0.00 C ATOM 1631 OE1 GLU A 110 38.206 -0.510 -10.801 1.00 0.00 O ATOM 1632 OE2 GLU A 110 38.039 -2.671 -10.489 1.00 0.00 O ATOM 0 H GLU A 110 34.590 -2.026 -14.524 1.00 0.00 H new ATOM 0 HA GLU A 110 33.618 -2.422 -11.906 1.00 0.00 H new ATOM 0 HB2 GLU A 110 36.005 -2.520 -12.742 1.00 0.00 H new ATOM 0 HB3 GLU A 110 35.988 -0.776 -12.910 1.00 0.00 H new ATOM 0 HG2 GLU A 110 35.630 -0.502 -10.480 1.00 0.00 H new ATOM 0 HG3 GLU A 110 35.501 -2.237 -10.272 1.00 0.00 H new ATOM 1639 N VAL A 111 33.338 0.701 -12.906 1.00 0.00 N ATOM 1640 CA VAL A 111 32.629 1.957 -12.595 1.00 0.00 C ATOM 1641 C VAL A 111 31.106 1.790 -12.658 1.00 0.00 C ATOM 1642 O VAL A 111 30.410 2.327 -11.797 1.00 0.00 O ATOM 1643 CB VAL A 111 33.145 3.110 -13.475 1.00 0.00 C ATOM 1644 CG1 VAL A 111 32.344 4.401 -13.286 1.00 0.00 C ATOM 1645 CG2 VAL A 111 34.606 3.435 -13.134 1.00 0.00 C ATOM 0 H VAL A 111 33.784 0.695 -13.823 1.00 0.00 H new ATOM 0 HA VAL A 111 32.852 2.222 -11.561 1.00 0.00 H new ATOM 0 HB VAL A 111 33.040 2.767 -14.504 1.00 0.00 H new ATOM 0 HG11 VAL A 111 32.752 5.180 -13.931 1.00 0.00 H new ATOM 0 HG12 VAL A 111 31.301 4.223 -13.547 1.00 0.00 H new ATOM 0 HG13 VAL A 111 32.409 4.720 -12.246 1.00 0.00 H new ATOM 0 HG21 VAL A 111 34.954 4.252 -13.766 1.00 0.00 H new ATOM 0 HG22 VAL A 111 34.678 3.730 -12.087 1.00 0.00 H new ATOM 0 HG23 VAL A 111 35.225 2.554 -13.307 1.00 0.00 H new ATOM 1655 N PHE A 112 30.566 0.978 -13.581 1.00 0.00 N ATOM 1656 CA PHE A 112 29.137 0.619 -13.552 1.00 0.00 C ATOM 1657 C PHE A 112 28.777 -0.125 -12.265 1.00 0.00 C ATOM 1658 O PHE A 112 27.809 0.238 -11.605 1.00 0.00 O ATOM 1659 CB PHE A 112 28.757 -0.239 -14.765 1.00 0.00 C ATOM 1660 CG PHE A 112 28.265 0.511 -15.983 1.00 0.00 C ATOM 1661 CD1 PHE A 112 26.903 0.851 -16.096 1.00 0.00 C ATOM 1662 CD2 PHE A 112 29.161 0.858 -17.008 1.00 0.00 C ATOM 1663 CE1 PHE A 112 26.442 1.540 -17.233 1.00 0.00 C ATOM 1664 CE2 PHE A 112 28.705 1.556 -18.138 1.00 0.00 C ATOM 1665 CZ PHE A 112 27.349 1.904 -18.242 1.00 0.00 C ATOM 0 H PHE A 112 31.090 0.561 -14.350 1.00 0.00 H new ATOM 0 HA PHE A 112 28.572 1.551 -13.588 1.00 0.00 H new ATOM 0 HB2 PHE A 112 29.627 -0.829 -15.054 1.00 0.00 H new ATOM 0 HB3 PHE A 112 27.982 -0.942 -14.459 1.00 0.00 H new ATOM 0 HD1 PHE A 112 26.212 0.583 -15.310 1.00 0.00 H new ATOM 0 HD2 PHE A 112 30.203 0.587 -16.927 1.00 0.00 H new ATOM 0 HE1 PHE A 112 25.395 1.788 -17.330 1.00 0.00 H new ATOM 0 HE2 PHE A 112 29.395 1.824 -18.924 1.00 0.00 H new ATOM 0 HZ PHE A 112 27.001 2.455 -19.103 1.00 0.00 H new ATOM 1675 N ARG A 113 29.580 -1.112 -11.857 1.00 0.00 N ATOM 1676 CA ARG A 113 29.398 -1.875 -10.603 1.00 0.00 C ATOM 1677 C ARG A 113 29.508 -0.974 -9.364 1.00 0.00 C ATOM 1678 O ARG A 113 28.708 -1.101 -8.441 1.00 0.00 O ATOM 1679 CB ARG A 113 30.424 -3.025 -10.558 1.00 0.00 C ATOM 1680 CG ARG A 113 30.159 -4.108 -11.623 1.00 0.00 C ATOM 1681 CD ARG A 113 31.311 -5.113 -11.648 1.00 0.00 C ATOM 1682 NE ARG A 113 31.154 -6.133 -12.705 1.00 0.00 N ATOM 1683 CZ ARG A 113 32.099 -6.624 -13.486 1.00 0.00 C ATOM 1684 NH1 ARG A 113 33.324 -6.178 -13.481 1.00 0.00 N ATOM 1685 NH2 ARG A 113 31.825 -7.592 -14.303 1.00 0.00 N ATOM 0 H ARG A 113 30.393 -1.415 -12.394 1.00 0.00 H new ATOM 0 HA ARG A 113 28.391 -2.292 -10.589 1.00 0.00 H new ATOM 0 HB2 ARG A 113 31.425 -2.618 -10.702 1.00 0.00 H new ATOM 0 HB3 ARG A 113 30.406 -3.483 -9.569 1.00 0.00 H new ATOM 0 HG2 ARG A 113 29.223 -4.622 -11.405 1.00 0.00 H new ATOM 0 HG3 ARG A 113 30.048 -3.645 -12.604 1.00 0.00 H new ATOM 0 HD2 ARG A 113 32.250 -4.580 -11.800 1.00 0.00 H new ATOM 0 HD3 ARG A 113 31.378 -5.607 -10.679 1.00 0.00 H new ATOM 0 HE ARG A 113 30.212 -6.498 -12.847 1.00 0.00 H new ATOM 0 HH11 ARG A 113 33.587 -5.417 -12.855 1.00 0.00 H new ATOM 0 HH12 ARG A 113 34.019 -6.590 -14.103 1.00 0.00 H new ATOM 0 HH21 ARG A 113 30.880 -7.974 -14.342 1.00 0.00 H new ATOM 0 HH22 ARG A 113 32.554 -7.972 -14.907 1.00 0.00 H new ATOM 1699 N THR A 114 30.417 0.004 -9.392 1.00 0.00 N ATOM 1700 CA THR A 114 30.577 1.024 -8.332 1.00 0.00 C ATOM 1701 C THR A 114 29.318 1.882 -8.169 1.00 0.00 C ATOM 1702 O THR A 114 28.867 2.118 -7.050 1.00 0.00 O ATOM 1703 CB THR A 114 31.800 1.919 -8.623 1.00 0.00 C ATOM 1704 OG1 THR A 114 32.977 1.143 -8.560 1.00 0.00 O ATOM 1705 CG2 THR A 114 31.967 3.065 -7.626 1.00 0.00 C ATOM 0 H THR A 114 31.077 0.118 -10.161 1.00 0.00 H new ATOM 0 HA THR A 114 30.738 0.494 -7.393 1.00 0.00 H new ATOM 0 HB THR A 114 31.631 2.344 -9.613 1.00 0.00 H new ATOM 0 HG1 THR A 114 33.044 0.585 -9.363 1.00 0.00 H new ATOM 0 HG21 THR A 114 32.846 3.653 -7.891 1.00 0.00 H new ATOM 0 HG22 THR A 114 31.083 3.702 -7.652 1.00 0.00 H new ATOM 0 HG23 THR A 114 32.092 2.659 -6.622 1.00 0.00 H new ATOM 1713 N VAL A 115 28.694 2.313 -9.271 1.00 0.00 N ATOM 1714 CA VAL A 115 27.397 3.020 -9.227 1.00 0.00 C ATOM 1715 C VAL A 115 26.260 2.085 -8.824 1.00 0.00 C ATOM 1716 O VAL A 115 25.491 2.428 -7.932 1.00 0.00 O ATOM 1717 CB VAL A 115 27.135 3.732 -10.566 1.00 0.00 C ATOM 1718 CG1 VAL A 115 25.716 4.294 -10.719 1.00 0.00 C ATOM 1719 CG2 VAL A 115 28.093 4.914 -10.657 1.00 0.00 C ATOM 0 H VAL A 115 29.065 2.186 -10.213 1.00 0.00 H new ATOM 0 HA VAL A 115 27.443 3.786 -8.452 1.00 0.00 H new ATOM 0 HB VAL A 115 27.274 2.985 -11.348 1.00 0.00 H new ATOM 0 HG11 VAL A 115 25.619 4.778 -11.691 1.00 0.00 H new ATOM 0 HG12 VAL A 115 24.993 3.482 -10.645 1.00 0.00 H new ATOM 0 HG13 VAL A 115 25.526 5.022 -9.930 1.00 0.00 H new ATOM 0 HG21 VAL A 115 27.932 5.441 -11.597 1.00 0.00 H new ATOM 0 HG22 VAL A 115 27.912 5.594 -9.824 1.00 0.00 H new ATOM 0 HG23 VAL A 115 29.121 4.553 -10.614 1.00 0.00 H new ATOM 1729 N ARG A 116 26.186 0.885 -9.411 1.00 0.00 N ATOM 1730 CA ARG A 116 25.157 -0.144 -9.147 1.00 0.00 C ATOM 1731 C ARG A 116 25.002 -0.433 -7.650 1.00 0.00 C ATOM 1732 O ARG A 116 23.888 -0.380 -7.144 1.00 0.00 O ATOM 1733 CB ARG A 116 25.529 -1.411 -9.953 1.00 0.00 C ATOM 1734 CG ARG A 116 24.457 -2.505 -9.894 1.00 0.00 C ATOM 1735 CD ARG A 116 24.916 -3.827 -10.524 1.00 0.00 C ATOM 1736 NE ARG A 116 25.947 -4.501 -9.700 1.00 0.00 N ATOM 1737 CZ ARG A 116 26.810 -5.415 -10.110 1.00 0.00 C ATOM 1738 NH1 ARG A 116 26.755 -5.899 -11.311 1.00 0.00 N ATOM 1739 NH2 ARG A 116 27.757 -5.847 -9.335 1.00 0.00 N ATOM 0 H ARG A 116 26.865 0.586 -10.111 1.00 0.00 H new ATOM 0 HA ARG A 116 24.182 0.220 -9.471 1.00 0.00 H new ATOM 0 HB2 ARG A 116 25.699 -1.134 -10.994 1.00 0.00 H new ATOM 0 HB3 ARG A 116 26.469 -1.812 -9.573 1.00 0.00 H new ATOM 0 HG2 ARG A 116 24.181 -2.681 -8.854 1.00 0.00 H new ATOM 0 HG3 ARG A 116 23.561 -2.156 -10.407 1.00 0.00 H new ATOM 0 HD2 ARG A 116 24.058 -4.489 -10.646 1.00 0.00 H new ATOM 0 HD3 ARG A 116 25.315 -3.636 -11.520 1.00 0.00 H new ATOM 0 HE ARG A 116 25.996 -4.233 -8.717 1.00 0.00 H new ATOM 0 HH11 ARG A 116 26.037 -5.575 -11.959 1.00 0.00 H new ATOM 0 HH12 ARG A 116 27.430 -6.604 -11.608 1.00 0.00 H new ATOM 0 HH21 ARG A 116 27.847 -5.481 -8.387 1.00 0.00 H new ATOM 0 HH22 ARG A 116 28.411 -6.553 -9.674 1.00 0.00 H new ATOM 1753 N GLY A 117 26.108 -0.666 -6.942 1.00 0.00 N ATOM 1754 CA GLY A 117 26.107 -0.953 -5.497 1.00 0.00 C ATOM 1755 C GLY A 117 25.537 0.195 -4.657 1.00 0.00 C ATOM 1756 O GLY A 117 24.777 -0.043 -3.721 1.00 0.00 O ATOM 0 H GLY A 117 27.041 -0.662 -7.354 1.00 0.00 H new ATOM 0 HA2 GLY A 117 25.524 -1.855 -5.312 1.00 0.00 H new ATOM 0 HA3 GLY A 117 27.127 -1.161 -5.173 1.00 0.00 H new ATOM 1760 N GLN A 118 25.814 1.446 -5.043 1.00 0.00 N ATOM 1761 CA GLN A 118 25.275 2.624 -4.348 1.00 0.00 C ATOM 1762 C GLN A 118 23.792 2.845 -4.689 1.00 0.00 C ATOM 1763 O GLN A 118 22.975 2.960 -3.782 1.00 0.00 O ATOM 1764 CB GLN A 118 26.129 3.871 -4.633 1.00 0.00 C ATOM 1765 CG GLN A 118 27.594 3.746 -4.168 1.00 0.00 C ATOM 1766 CD GLN A 118 28.454 4.889 -4.713 1.00 0.00 C ATOM 1767 OE1 GLN A 118 28.687 5.896 -4.058 1.00 0.00 O ATOM 1768 NE2 GLN A 118 28.924 4.780 -5.937 1.00 0.00 N ATOM 0 H GLN A 118 26.412 1.671 -5.838 1.00 0.00 H new ATOM 0 HA GLN A 118 25.327 2.437 -3.275 1.00 0.00 H new ATOM 0 HB2 GLN A 118 26.114 4.072 -5.704 1.00 0.00 H new ATOM 0 HB3 GLN A 118 25.674 4.731 -4.141 1.00 0.00 H new ATOM 0 HG2 GLN A 118 27.633 3.747 -3.079 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.002 2.792 -4.500 1.00 0.00 H new ATOM 0 HE21 GLN A 118 28.731 3.941 -6.485 1.00 0.00 H new ATOM 0 HE22 GLN A 118 29.481 5.534 -6.338 1.00 0.00 H new ATOM 1777 N VAL A 119 23.398 2.823 -5.973 1.00 0.00 N ATOM 1778 CA VAL A 119 21.974 2.906 -6.394 1.00 0.00 C ATOM 1779 C VAL A 119 21.125 1.834 -5.691 1.00 0.00 C ATOM 1780 O VAL A 119 20.052 2.146 -5.172 1.00 0.00 O ATOM 1781 CB VAL A 119 21.826 2.801 -7.931 1.00 0.00 C ATOM 1782 CG1 VAL A 119 20.361 2.865 -8.362 1.00 0.00 C ATOM 1783 CG2 VAL A 119 22.520 3.954 -8.662 1.00 0.00 C ATOM 0 H VAL A 119 24.050 2.747 -6.754 1.00 0.00 H new ATOM 0 HA VAL A 119 21.604 3.886 -6.092 1.00 0.00 H new ATOM 0 HB VAL A 119 22.280 1.845 -8.190 1.00 0.00 H new ATOM 0 HG11 VAL A 119 20.297 2.788 -9.447 1.00 0.00 H new ATOM 0 HG12 VAL A 119 19.812 2.041 -7.907 1.00 0.00 H new ATOM 0 HG13 VAL A 119 19.928 3.812 -8.039 1.00 0.00 H new ATOM 0 HG21 VAL A 119 22.388 3.835 -9.737 1.00 0.00 H new ATOM 0 HG22 VAL A 119 22.083 4.901 -8.345 1.00 0.00 H new ATOM 0 HG23 VAL A 119 23.584 3.948 -8.424 1.00 0.00 H new ATOM 1793 N LYS A 120 21.638 0.600 -5.593 1.00 0.00 N ATOM 1794 CA LYS A 120 21.023 -0.492 -4.820 1.00 0.00 C ATOM 1795 C LYS A 120 20.842 -0.106 -3.352 1.00 0.00 C ATOM 1796 O LYS A 120 19.720 -0.137 -2.860 1.00 0.00 O ATOM 1797 CB LYS A 120 21.882 -1.764 -4.961 1.00 0.00 C ATOM 1798 CG LYS A 120 21.232 -2.964 -4.259 1.00 0.00 C ATOM 1799 CD LYS A 120 22.130 -4.206 -4.317 1.00 0.00 C ATOM 1800 CE LYS A 120 21.349 -5.412 -3.777 1.00 0.00 C ATOM 1801 NZ LYS A 120 22.243 -6.577 -3.502 1.00 0.00 N ATOM 0 H LYS A 120 22.505 0.326 -6.055 1.00 0.00 H new ATOM 0 HA LYS A 120 20.028 -0.688 -5.219 1.00 0.00 H new ATOM 0 HB2 LYS A 120 22.024 -1.993 -6.017 1.00 0.00 H new ATOM 0 HB3 LYS A 120 22.870 -1.585 -4.538 1.00 0.00 H new ATOM 0 HG2 LYS A 120 21.027 -2.711 -3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 120 20.273 -3.185 -4.728 1.00 0.00 H new ATOM 0 HD2 LYS A 120 22.449 -4.392 -5.342 1.00 0.00 H new ATOM 0 HD3 LYS A 120 23.032 -4.046 -3.726 1.00 0.00 H new ATOM 0 HE2 LYS A 120 20.831 -5.128 -2.861 1.00 0.00 H new ATOM 0 HE3 LYS A 120 20.585 -5.703 -4.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 21.677 -7.371 -3.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 22.719 -6.865 -4.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 22.956 -6.308 -2.794 1.00 0.00 H new ATOM 1815 N GLU A 121 21.912 0.295 -2.661 1.00 0.00 N ATOM 1816 CA GLU A 121 21.844 0.560 -1.216 1.00 0.00 C ATOM 1817 C GLU A 121 20.953 1.748 -0.875 1.00 0.00 C ATOM 1818 O GLU A 121 20.207 1.666 0.094 1.00 0.00 O ATOM 1819 CB GLU A 121 23.245 0.624 -0.573 1.00 0.00 C ATOM 1820 CG GLU A 121 23.901 2.008 -0.532 1.00 0.00 C ATOM 1821 CD GLU A 121 25.310 1.930 0.096 1.00 0.00 C ATOM 1822 OE1 GLU A 121 25.413 1.812 1.343 1.00 0.00 O ATOM 1823 OE2 GLU A 121 26.321 1.995 -0.642 1.00 0.00 O ATOM 0 H GLU A 121 22.833 0.444 -3.073 1.00 0.00 H new ATOM 0 HA GLU A 121 21.350 -0.297 -0.759 1.00 0.00 H new ATOM 0 HB2 GLU A 121 23.173 0.247 0.447 1.00 0.00 H new ATOM 0 HB3 GLU A 121 23.904 -0.053 -1.117 1.00 0.00 H new ATOM 0 HG2 GLU A 121 23.970 2.412 -1.542 1.00 0.00 H new ATOM 0 HG3 GLU A 121 23.279 2.693 0.044 1.00 0.00 H new ATOM 1830 N ARG A 122 20.911 2.802 -1.704 1.00 0.00 N ATOM 1831 CA ARG A 122 19.992 3.926 -1.458 1.00 0.00 C ATOM 1832 C ARG A 122 18.539 3.474 -1.570 1.00 0.00 C ATOM 1833 O ARG A 122 17.762 3.755 -0.663 1.00 0.00 O ATOM 1834 CB ARG A 122 20.312 5.120 -2.382 1.00 0.00 C ATOM 1835 CG ARG A 122 21.736 5.692 -2.255 1.00 0.00 C ATOM 1836 CD ARG A 122 22.218 5.928 -0.821 1.00 0.00 C ATOM 1837 NE ARG A 122 23.440 6.761 -0.788 1.00 0.00 N ATOM 1838 CZ ARG A 122 24.033 7.252 0.290 1.00 0.00 C ATOM 1839 NH1 ARG A 122 23.568 7.050 1.490 1.00 0.00 N ATOM 1840 NH2 ARG A 122 25.119 7.963 0.185 1.00 0.00 N ATOM 0 H ARG A 122 21.491 2.901 -2.537 1.00 0.00 H new ATOM 0 HA ARG A 122 20.139 4.274 -0.436 1.00 0.00 H new ATOM 0 HB2 ARG A 122 20.154 4.810 -3.415 1.00 0.00 H new ATOM 0 HB3 ARG A 122 19.599 5.918 -2.176 1.00 0.00 H new ATOM 0 HG2 ARG A 122 22.430 5.010 -2.747 1.00 0.00 H new ATOM 0 HG3 ARG A 122 21.780 6.637 -2.796 1.00 0.00 H new ATOM 0 HD2 ARG A 122 21.430 6.415 -0.247 1.00 0.00 H new ATOM 0 HD3 ARG A 122 22.417 4.970 -0.341 1.00 0.00 H new ATOM 0 HE ARG A 122 23.870 6.980 -1.687 1.00 0.00 H new ATOM 0 HH11 ARG A 122 22.721 6.498 1.622 1.00 0.00 H new ATOM 0 HH12 ARG A 122 24.051 7.444 2.297 1.00 0.00 H new ATOM 0 HH21 ARG A 122 25.521 8.147 -0.734 1.00 0.00 H new ATOM 0 HH22 ARG A 122 25.567 8.336 1.022 1.00 0.00 H new ATOM 1854 N VAL A 123 18.188 2.674 -2.579 1.00 0.00 N ATOM 1855 CA VAL A 123 16.861 2.043 -2.667 1.00 0.00 C ATOM 1856 C VAL A 123 16.565 1.105 -1.499 1.00 0.00 C ATOM 1857 O VAL A 123 15.512 1.263 -0.891 1.00 0.00 O ATOM 1858 CB VAL A 123 16.682 1.352 -4.035 1.00 0.00 C ATOM 1859 CG1 VAL A 123 15.558 0.313 -4.050 1.00 0.00 C ATOM 1860 CG2 VAL A 123 16.403 2.408 -5.105 1.00 0.00 C ATOM 0 H VAL A 123 18.808 2.444 -3.355 1.00 0.00 H new ATOM 0 HA VAL A 123 16.119 2.838 -2.589 1.00 0.00 H new ATOM 0 HB VAL A 123 17.610 0.819 -4.240 1.00 0.00 H new ATOM 0 HG11 VAL A 123 15.488 -0.133 -5.042 1.00 0.00 H new ATOM 0 HG12 VAL A 123 15.772 -0.465 -3.317 1.00 0.00 H new ATOM 0 HG13 VAL A 123 14.613 0.796 -3.802 1.00 0.00 H new ATOM 0 HG21 VAL A 123 16.276 1.921 -6.072 1.00 0.00 H new ATOM 0 HG22 VAL A 123 15.493 2.952 -4.851 1.00 0.00 H new ATOM 0 HG23 VAL A 123 17.240 3.104 -5.156 1.00 0.00 H new ATOM 1870 N GLU A 124 17.450 0.179 -1.124 1.00 0.00 N ATOM 1871 CA GLU A 124 17.187 -0.720 0.015 1.00 0.00 C ATOM 1872 C GLU A 124 16.974 0.040 1.320 1.00 0.00 C ATOM 1873 O GLU A 124 16.106 -0.324 2.117 1.00 0.00 O ATOM 1874 CB GLU A 124 18.309 -1.741 0.205 1.00 0.00 C ATOM 1875 CG GLU A 124 18.414 -2.743 -0.933 1.00 0.00 C ATOM 1876 CD GLU A 124 19.431 -3.837 -0.546 1.00 0.00 C ATOM 1877 OE1 GLU A 124 20.657 -3.612 -0.682 1.00 0.00 O ATOM 1878 OE2 GLU A 124 19.012 -4.919 -0.069 1.00 0.00 O ATOM 0 H GLU A 124 18.348 0.028 -1.583 1.00 0.00 H new ATOM 0 HA GLU A 124 16.265 -1.245 -0.233 1.00 0.00 H new ATOM 0 HB2 GLU A 124 19.258 -1.213 0.303 1.00 0.00 H new ATOM 0 HB3 GLU A 124 18.146 -2.279 1.139 1.00 0.00 H new ATOM 0 HG2 GLU A 124 17.440 -3.189 -1.134 1.00 0.00 H new ATOM 0 HG3 GLU A 124 18.730 -2.242 -1.848 1.00 0.00 H new ATOM 1885 N ASN A 125 17.701 1.142 1.510 1.00 0.00 N ATOM 1886 CA ASN A 125 17.552 1.956 2.713 1.00 0.00 C ATOM 1887 C ASN A 125 16.248 2.773 2.725 1.00 0.00 C ATOM 1888 O ASN A 125 15.733 3.103 3.791 1.00 0.00 O ATOM 1889 CB ASN A 125 18.833 2.778 2.951 1.00 0.00 C ATOM 1890 CG ASN A 125 18.642 4.287 2.975 1.00 0.00 C ATOM 1891 OD1 ASN A 125 18.653 4.934 4.010 1.00 0.00 O ATOM 1892 ND2 ASN A 125 18.454 4.884 1.820 1.00 0.00 N ATOM 0 H ASN A 125 18.396 1.489 0.848 1.00 0.00 H new ATOM 0 HA ASN A 125 17.440 1.297 3.574 1.00 0.00 H new ATOM 0 HB2 ASN A 125 19.272 2.469 3.899 1.00 0.00 H new ATOM 0 HB3 ASN A 125 19.553 2.532 2.171 1.00 0.00 H new ATOM 0 HD21 ASN A 125 18.316 5.894 1.784 1.00 0.00 H new ATOM 0 HD22 ASN A 125 18.446 4.338 0.959 1.00 0.00 H new ATOM 1899 N LEU A 126 15.706 3.075 1.542 1.00 0.00 N ATOM 1900 CA LEU A 126 14.460 3.812 1.355 1.00 0.00 C ATOM 1901 C LEU A 126 13.234 2.899 1.465 1.00 0.00 C ATOM 1902 O LEU A 126 12.299 3.227 2.191 1.00 0.00 O ATOM 1903 CB LEU A 126 14.574 4.533 -0.004 1.00 0.00 C ATOM 1904 CG LEU A 126 13.295 5.222 -0.487 1.00 0.00 C ATOM 1905 CD1 LEU A 126 12.932 6.421 0.384 1.00 0.00 C ATOM 1906 CD2 LEU A 126 13.480 5.648 -1.937 1.00 0.00 C ATOM 0 H LEU A 126 16.140 2.802 0.660 1.00 0.00 H new ATOM 0 HA LEU A 126 14.312 4.547 2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 126 15.366 5.279 0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 126 14.883 3.808 -0.757 1.00 0.00 H new ATOM 0 HG LEU A 126 12.469 4.515 -0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 126 12.019 6.881 0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 126 12.775 6.091 1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 126 13.743 7.149 0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 126 12.574 6.140 -2.290 1.00 0.00 H new ATOM 0 HD22 LEU A 126 14.320 6.339 -2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 126 13.679 4.770 -2.552 1.00 0.00 H new ATOM 1918 N ILE A 127 13.221 1.738 0.797 1.00 0.00 N ATOM 1919 CA ILE A 127 12.036 0.858 0.813 1.00 0.00 C ATOM 1920 C ILE A 127 11.725 0.315 2.207 1.00 0.00 C ATOM 1921 O ILE A 127 10.558 0.123 2.529 1.00 0.00 O ATOM 1922 CB ILE A 127 12.121 -0.284 -0.218 1.00 0.00 C ATOM 1923 CG1 ILE A 127 13.308 -1.247 0.019 1.00 0.00 C ATOM 1924 CG2 ILE A 127 12.117 0.323 -1.634 1.00 0.00 C ATOM 1925 CD1 ILE A 127 13.585 -2.224 -1.126 1.00 0.00 C ATOM 0 H ILE A 127 14.003 1.386 0.245 1.00 0.00 H new ATOM 0 HA ILE A 127 11.203 1.495 0.517 1.00 0.00 H new ATOM 0 HB ILE A 127 11.243 -0.918 -0.098 1.00 0.00 H new ATOM 0 HG12 ILE A 127 14.206 -0.656 0.198 1.00 0.00 H new ATOM 0 HG13 ILE A 127 13.117 -1.819 0.927 1.00 0.00 H new ATOM 0 HG21 ILE A 127 12.177 -0.476 -2.373 1.00 0.00 H new ATOM 0 HG22 ILE A 127 11.197 0.888 -1.785 1.00 0.00 H new ATOM 0 HG23 ILE A 127 12.974 0.987 -1.748 1.00 0.00 H new ATOM 0 HD11 ILE A 127 14.434 -2.857 -0.867 1.00 0.00 H new ATOM 0 HD12 ILE A 127 12.706 -2.847 -1.294 1.00 0.00 H new ATOM 0 HD13 ILE A 127 13.812 -1.665 -2.034 1.00 0.00 H new ATOM 1937 N ALA A 128 12.741 0.156 3.061 1.00 0.00 N ATOM 1938 CA ALA A 128 12.537 -0.257 4.446 1.00 0.00 C ATOM 1939 C ALA A 128 11.840 0.820 5.316 1.00 0.00 C ATOM 1940 O ALA A 128 11.262 0.488 6.354 1.00 0.00 O ATOM 1941 CB ALA A 128 13.897 -0.666 5.021 1.00 0.00 C ATOM 0 H ALA A 128 13.718 0.309 2.811 1.00 0.00 H new ATOM 0 HA ALA A 128 11.850 -1.103 4.461 1.00 0.00 H new ATOM 0 HB1 ALA A 128 13.774 -0.980 6.058 1.00 0.00 H new ATOM 0 HB2 ALA A 128 14.305 -1.491 4.438 1.00 0.00 H new ATOM 0 HB3 ALA A 128 14.580 0.182 4.977 1.00 0.00 H new ATOM 1947 N LYS A 129 11.868 2.100 4.896 1.00 0.00 N ATOM 1948 CA LYS A 129 11.158 3.215 5.557 1.00 0.00 C ATOM 1949 C LYS A 129 9.701 3.353 5.100 1.00 0.00 C ATOM 1950 O LYS A 129 8.840 3.697 5.910 1.00 0.00 O ATOM 1951 CB LYS A 129 11.903 4.542 5.305 1.00 0.00 C ATOM 1952 CG LYS A 129 13.317 4.572 5.901 1.00 0.00 C ATOM 1953 CD LYS A 129 14.031 5.875 5.497 1.00 0.00 C ATOM 1954 CE LYS A 129 15.504 5.928 5.929 1.00 0.00 C ATOM 1955 NZ LYS A 129 15.674 6.008 7.411 1.00 0.00 N ATOM 0 H LYS A 129 12.394 2.394 4.073 1.00 0.00 H new ATOM 0 HA LYS A 129 11.143 2.985 6.622 1.00 0.00 H new ATOM 0 HB2 LYS A 129 11.966 4.716 4.231 1.00 0.00 H new ATOM 0 HB3 LYS A 129 11.322 5.362 5.727 1.00 0.00 H new ATOM 0 HG2 LYS A 129 13.264 4.498 6.987 1.00 0.00 H new ATOM 0 HG3 LYS A 129 13.887 3.712 5.550 1.00 0.00 H new ATOM 0 HD2 LYS A 129 13.974 5.990 4.415 1.00 0.00 H new ATOM 0 HD3 LYS A 129 13.502 6.721 5.936 1.00 0.00 H new ATOM 0 HE2 LYS A 129 16.018 5.042 5.557 1.00 0.00 H new ATOM 0 HE3 LYS A 129 15.982 6.792 5.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 16.687 6.041 7.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 15.209 6.867 7.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 15.244 5.172 7.855 1.00 0.00 H new ATOM 1969 N ILE A 130 9.432 3.107 3.810 1.00 0.00 N ATOM 1970 CA ILE A 130 8.136 3.400 3.155 1.00 0.00 C ATOM 1971 C ILE A 130 7.261 2.180 2.794 1.00 0.00 C ATOM 1972 O ILE A 130 6.182 2.369 2.228 1.00 0.00 O ATOM 1973 CB ILE A 130 8.327 4.348 1.950 1.00 0.00 C ATOM 1974 CG1 ILE A 130 9.264 3.760 0.875 1.00 0.00 C ATOM 1975 CG2 ILE A 130 8.832 5.722 2.419 1.00 0.00 C ATOM 1976 CD1 ILE A 130 8.756 4.007 -0.543 1.00 0.00 C ATOM 0 H ILE A 130 10.116 2.692 3.177 1.00 0.00 H new ATOM 0 HA ILE A 130 7.554 3.905 3.926 1.00 0.00 H new ATOM 0 HB ILE A 130 7.350 4.469 1.483 1.00 0.00 H new ATOM 0 HG12 ILE A 130 10.256 4.198 0.983 1.00 0.00 H new ATOM 0 HG13 ILE A 130 9.370 2.687 1.038 1.00 0.00 H new ATOM 0 HG21 ILE A 130 8.961 6.376 1.557 1.00 0.00 H new ATOM 0 HG22 ILE A 130 8.107 6.162 3.103 1.00 0.00 H new ATOM 0 HG23 ILE A 130 9.787 5.603 2.930 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.453 3.573 -1.260 1.00 0.00 H new ATOM 0 HD12 ILE A 130 7.776 3.545 -0.664 1.00 0.00 H new ATOM 0 HD13 ILE A 130 8.676 5.080 -0.719 1.00 0.00 H new ATOM 1988 N SER A 131 7.687 0.952 3.113 1.00 0.00 N ATOM 1989 CA SER A 131 6.885 -0.279 2.945 1.00 0.00 C ATOM 1990 C SER A 131 5.528 -0.229 3.671 1.00 0.00 C ATOM 1991 O SER A 131 4.484 -0.400 2.994 1.00 0.00 O ATOM 1992 CB SER A 131 7.693 -1.505 3.382 1.00 0.00 C ATOM 1993 OG SER A 131 8.167 -1.350 4.711 1.00 0.00 O ATOM 1994 OXT SER A 131 5.506 -0.031 4.910 1.00 0.00 O ATOM 0 H SER A 131 8.613 0.776 3.502 1.00 0.00 H new ATOM 0 HA SER A 131 6.655 -0.358 1.882 1.00 0.00 H new ATOM 0 HB2 SER A 131 7.072 -2.398 3.315 1.00 0.00 H new ATOM 0 HB3 SER A 131 8.535 -1.651 2.706 1.00 0.00 H new ATOM 0 HG SER A 131 7.476 -0.920 5.257 1.00 0.00 H new