USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 799 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 TYR OH : rot -127:sc= 1.08 USER MOD Set 1.2: A 106 GLN : amide:sc= -5.2! C(o=-4.1!,f=-11!) USER MOD Set 2.1: A 11 CYS SG : rot -168:sc= -10.2! USER MOD Set 2.2: A 20 GLN :FLIP amide:sc= -2.92! C(o=-15!,f=-13!) USER MOD Single : A 12 HIS : no HE2:sc= -1.31 X(o=-1.3,f=-1.4) USER MOD Single : A 13 ASN :FLIP amide:sc= -2.17! C(o=-3.2!,f=-2.2!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl 165:sc= -7.68! (180deg=-8.2!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -174:sc= -0.179 (180deg=-0.218) USER MOD Single : A 71 LYS NZ :NH3+ 143:sc= 0.292 (180deg=-0.127) USER MOD Single : A 76 LYS NZ :NH3+ 154:sc= -0.143 (180deg=-1.03) USER MOD Single : A 77 TYR OH : rot 180:sc= -0.366 USER MOD Single : A 78 ASN : amide:sc= -0.115 X(o=-0.12,f=-0.0076) USER MOD Single : A 82 MET CE :methyl 159:sc= -6.21! (180deg=-8.17!) USER MOD Single : A 84 THR OG1 : rot 106:sc= 0.743 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot -123:sc= -2.27! USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 HIS :FLIP no HE2:sc= -9.56! C(o=-10!,f=-9.6!) USER MOD ----------------------------------------------------------------- ATOM 53 N GLU A 5 2.560 7.281 -6.558 1.00 5.22 N ATOM 54 CA GLU A 5 1.461 7.377 -7.510 1.00 54.14 C ATOM 55 C GLU A 5 1.354 8.790 -8.078 1.00 32.42 C ATOM 56 O GLU A 5 2.320 9.551 -8.064 1.00 22.32 O ATOM 57 CB GLU A 5 0.142 6.983 -6.842 1.00 12.11 C ATOM 58 CG GLU A 5 0.236 5.715 -6.011 1.00 31.34 C ATOM 59 CD GLU A 5 -0.225 4.485 -6.769 1.00 23.22 C ATOM 60 OE1 GLU A 5 0.596 3.898 -7.504 1.00 44.42 O ATOM 61 OE2 GLU A 5 -1.407 4.109 -6.626 1.00 32.01 O ATOM 0 HA GLU A 5 1.664 6.689 -8.330 1.00 54.14 H new ATOM 0 HB2 GLU A 5 -0.191 7.802 -6.204 1.00 12.11 H new ATOM 0 HB3 GLU A 5 -0.619 6.848 -7.611 1.00 12.11 H new ATOM 0 HG2 GLU A 5 1.267 5.573 -5.688 1.00 31.34 H new ATOM 0 HG3 GLU A 5 -0.367 5.830 -5.111 1.00 31.34 H new ATOM 68 N GLY A 6 0.170 9.133 -8.578 1.00 22.45 N ATOM 69 CA GLY A 6 -0.042 10.452 -9.143 1.00 61.15 C ATOM 70 C GLY A 6 -0.299 11.504 -8.082 1.00 63.54 C ATOM 71 O GLY A 6 -0.791 12.591 -8.382 1.00 51.32 O ATOM 0 H GLY A 6 -0.645 8.521 -8.601 1.00 22.45 H new ATOM 0 HA2 GLY A 6 0.832 10.737 -9.729 1.00 61.15 H new ATOM 0 HA3 GLY A 6 -0.888 10.418 -9.829 1.00 61.15 H new ATOM 75 N VAL A 7 0.034 11.179 -6.837 1.00 31.00 N ATOM 76 CA VAL A 7 -0.164 12.104 -5.727 1.00 71.42 C ATOM 77 C VAL A 7 1.115 12.872 -5.417 1.00 45.34 C ATOM 78 O VAL A 7 2.143 12.677 -6.067 1.00 54.34 O ATOM 79 CB VAL A 7 -0.627 11.365 -4.457 1.00 44.11 C ATOM 80 CG1 VAL A 7 -1.512 10.182 -4.819 1.00 42.53 C ATOM 81 CG2 VAL A 7 0.573 10.913 -3.638 1.00 33.32 C ATOM 0 H VAL A 7 0.442 10.283 -6.572 1.00 31.00 H new ATOM 0 HA VAL A 7 -0.940 12.805 -6.034 1.00 71.42 H new ATOM 0 HB VAL A 7 -1.214 12.054 -3.850 1.00 44.11 H new ATOM 0 HG11 VAL A 7 -1.829 9.673 -3.909 1.00 42.53 H new ATOM 0 HG12 VAL A 7 -2.389 10.536 -5.361 1.00 42.53 H new ATOM 0 HG13 VAL A 7 -0.953 9.488 -5.447 1.00 42.53 H new ATOM 0 HG21 VAL A 7 0.228 10.393 -2.744 1.00 33.32 H new ATOM 0 HG22 VAL A 7 1.188 10.240 -4.235 1.00 33.32 H new ATOM 0 HG23 VAL A 7 1.163 11.782 -3.347 1.00 33.32 H new ATOM 91 N VAL A 8 1.047 13.747 -4.419 1.00 53.31 N ATOM 92 CA VAL A 8 2.200 14.545 -4.021 1.00 3.20 C ATOM 93 C VAL A 8 3.439 13.673 -3.850 1.00 41.34 C ATOM 94 O VAL A 8 3.703 13.158 -2.764 1.00 35.44 O ATOM 95 CB VAL A 8 1.933 15.301 -2.706 1.00 10.21 C ATOM 96 CG1 VAL A 8 0.846 16.347 -2.903 1.00 5.44 C ATOM 97 CG2 VAL A 8 1.554 14.328 -1.600 1.00 75.01 C ATOM 0 H VAL A 8 0.205 13.921 -3.871 1.00 53.31 H new ATOM 0 HA VAL A 8 2.375 15.268 -4.818 1.00 3.20 H new ATOM 0 HB VAL A 8 2.848 15.814 -2.409 1.00 10.21 H new ATOM 0 HG11 VAL A 8 0.671 16.871 -1.963 1.00 5.44 H new ATOM 0 HG12 VAL A 8 1.162 17.061 -3.663 1.00 5.44 H new ATOM 0 HG13 VAL A 8 -0.075 15.859 -3.223 1.00 5.44 H new ATOM 0 HG21 VAL A 8 1.369 14.879 -0.678 1.00 75.01 H new ATOM 0 HG22 VAL A 8 0.653 13.786 -1.886 1.00 75.01 H new ATOM 0 HG23 VAL A 8 2.368 13.621 -1.443 1.00 75.01 H new ATOM 107 N ILE A 9 4.196 13.513 -4.930 1.00 44.13 N ATOM 108 CA ILE A 9 5.409 12.705 -4.899 1.00 71.35 C ATOM 109 C ILE A 9 6.196 12.942 -3.615 1.00 14.40 C ATOM 110 O ILE A 9 5.960 13.918 -2.902 1.00 61.34 O ATOM 111 CB ILE A 9 6.316 13.005 -6.107 1.00 64.30 C ATOM 112 CG1 ILE A 9 5.547 12.803 -7.414 1.00 32.31 C ATOM 113 CG2 ILE A 9 7.554 12.120 -6.072 1.00 53.14 C ATOM 114 CD1 ILE A 9 4.930 11.428 -7.545 1.00 70.35 C ATOM 0 H ILE A 9 3.991 13.932 -5.837 1.00 44.13 H new ATOM 0 HA ILE A 9 5.094 11.662 -4.941 1.00 71.35 H new ATOM 0 HB ILE A 9 6.635 14.046 -6.053 1.00 64.30 H new ATOM 0 HG12 ILE A 9 4.760 13.554 -7.483 1.00 32.31 H new ATOM 0 HG13 ILE A 9 6.222 12.971 -8.253 1.00 32.31 H new ATOM 0 HG21 ILE A 9 8.185 12.343 -6.932 1.00 53.14 H new ATOM 0 HG22 ILE A 9 8.111 12.309 -5.154 1.00 53.14 H new ATOM 0 HG23 ILE A 9 7.254 11.073 -6.105 1.00 53.14 H new ATOM 0 HD11 ILE A 9 4.401 11.356 -8.495 1.00 70.35 H new ATOM 0 HD12 ILE A 9 5.715 10.672 -7.508 1.00 70.35 H new ATOM 0 HD13 ILE A 9 4.230 11.264 -6.726 1.00 70.35 H new ATOM 126 N ALA A 10 7.132 12.045 -3.327 1.00 23.24 N ATOM 127 CA ALA A 10 7.957 12.159 -2.130 1.00 70.22 C ATOM 128 C ALA A 10 9.427 11.911 -2.451 1.00 30.21 C ATOM 129 O ALA A 10 9.915 10.785 -2.342 1.00 15.02 O ATOM 130 CB ALA A 10 7.476 11.186 -1.063 1.00 42.42 C ATOM 0 H ALA A 10 7.339 11.231 -3.906 1.00 23.24 H new ATOM 0 HA ALA A 10 7.862 13.176 -1.748 1.00 70.22 H new ATOM 0 HB1 ALA A 10 8.101 11.282 -0.175 1.00 42.42 H new ATOM 0 HB2 ALA A 10 6.441 11.412 -0.805 1.00 42.42 H new ATOM 0 HB3 ALA A 10 7.541 10.167 -1.444 1.00 42.42 H new ATOM 136 N CYS A 11 10.127 12.967 -2.847 1.00 45.52 N ATOM 137 CA CYS A 11 11.543 12.864 -3.186 1.00 34.44 C ATOM 138 C CYS A 11 12.413 13.412 -2.059 1.00 74.22 C ATOM 139 O CYS A 11 12.325 14.589 -1.710 1.00 1.42 O ATOM 140 CB CYS A 11 11.834 13.617 -4.484 1.00 63.44 C ATOM 141 SG CYS A 11 10.823 13.089 -5.887 1.00 32.50 S ATOM 0 H CYS A 11 9.738 13.905 -2.942 1.00 45.52 H new ATOM 0 HA CYS A 11 11.782 11.810 -3.325 1.00 34.44 H new ATOM 0 HB2 CYS A 11 11.676 14.682 -4.317 1.00 63.44 H new ATOM 0 HB3 CYS A 11 12.886 13.487 -4.739 1.00 63.44 H new ATOM 0 HG CYS A 11 11.302 13.598 -6.983 1.00 32.50 H new ATOM 147 N HIS A 12 13.251 12.550 -1.493 1.00 21.41 N ATOM 148 CA HIS A 12 14.137 12.947 -0.404 1.00 52.34 C ATOM 149 C HIS A 12 15.587 12.607 -0.732 1.00 64.15 C ATOM 150 O HIS A 12 16.320 12.092 0.111 1.00 1.11 O ATOM 151 CB HIS A 12 13.721 12.260 0.897 1.00 61.05 C ATOM 152 CG HIS A 12 12.295 11.803 0.903 1.00 30.41 C ATOM 153 ND1 HIS A 12 11.267 12.550 1.439 1.00 25.45 N ATOM 154 CD2 HIS A 12 11.727 10.667 0.433 1.00 1.31 C ATOM 155 CE1 HIS A 12 10.130 11.893 1.301 1.00 73.13 C ATOM 156 NE2 HIS A 12 10.381 10.748 0.692 1.00 20.34 N ATOM 0 H HIS A 12 13.335 11.572 -1.770 1.00 21.41 H new ATOM 0 HA HIS A 12 14.055 14.027 -0.278 1.00 52.34 H new ATOM 0 HB2 HIS A 12 14.370 11.401 1.068 1.00 61.05 H new ATOM 0 HB3 HIS A 12 13.877 12.948 1.728 1.00 61.05 H new ATOM 0 HD1 HIS A 12 11.369 13.467 1.874 1.00 25.45 H new ATOM 0 HD2 HIS A 12 12.238 9.850 -0.055 1.00 1.31 H new ATOM 0 HE1 HIS A 12 9.160 12.234 1.630 1.00 73.13 H new ATOM 164 N ASN A 13 15.995 12.898 -1.964 1.00 35.42 N ATOM 165 CA ASN A 13 17.357 12.621 -2.404 1.00 23.14 C ATOM 166 C ASN A 13 17.713 13.454 -3.631 1.00 55.41 C ATOM 167 O ASN A 13 18.654 13.138 -4.359 1.00 74.03 O ATOM 168 CB ASN A 13 17.521 11.133 -2.719 1.00 24.32 C ATOM 169 CG ASN A 13 18.789 10.843 -3.499 1.00 3.33 C ATOM 170 OD1 ASN A 13 18.637 10.528 -4.780 1.00 14.03 O flip ATOM 171 ND2 ASN A 13 19.893 10.903 -2.956 1.00 31.14 N flip ATOM 0 H ASN A 13 15.401 13.326 -2.675 1.00 35.42 H new ATOM 0 HA ASN A 13 18.035 12.891 -1.595 1.00 23.14 H new ATOM 0 HB2 ASN A 13 17.533 10.567 -1.788 1.00 24.32 H new ATOM 0 HB3 ASN A 13 16.659 10.788 -3.291 1.00 24.32 H new ATOM 0 HD21 ASN A 13 19.963 11.149 -1.969 1.00 31.14 H new ATOM 0 HD22 ASN A 13 20.737 10.707 -3.494 1.00 31.14 H new ATOM 178 N LYS A 14 16.953 14.522 -3.855 1.00 25.34 N ATOM 179 CA LYS A 14 17.188 15.403 -4.992 1.00 52.21 C ATOM 180 C LYS A 14 16.986 14.659 -6.308 1.00 72.30 C ATOM 181 O LYS A 14 15.995 14.871 -7.007 1.00 13.34 O ATOM 182 CB LYS A 14 18.604 15.981 -4.933 1.00 34.02 C ATOM 183 CG LYS A 14 19.125 16.452 -6.279 1.00 64.44 C ATOM 184 CD LYS A 14 19.986 17.696 -6.140 1.00 10.11 C ATOM 185 CE LYS A 14 19.143 18.926 -5.842 1.00 54.55 C ATOM 186 NZ LYS A 14 19.459 20.052 -6.765 1.00 31.11 N ATOM 0 H LYS A 14 16.169 14.797 -3.263 1.00 25.34 H new ATOM 0 HA LYS A 14 16.467 16.219 -4.942 1.00 52.21 H new ATOM 0 HB2 LYS A 14 18.617 16.818 -4.235 1.00 34.02 H new ATOM 0 HB3 LYS A 14 19.280 15.224 -4.536 1.00 34.02 H new ATOM 0 HG2 LYS A 14 19.707 15.656 -6.744 1.00 64.44 H new ATOM 0 HG3 LYS A 14 18.286 16.662 -6.942 1.00 64.44 H new ATOM 0 HD2 LYS A 14 20.713 17.549 -5.341 1.00 10.11 H new ATOM 0 HD3 LYS A 14 20.550 17.854 -7.059 1.00 10.11 H new ATOM 0 HE2 LYS A 14 18.087 18.672 -5.928 1.00 54.55 H new ATOM 0 HE3 LYS A 14 19.312 19.242 -4.813 1.00 54.55 H new ATOM 0 HZ1 LYS A 14 18.864 20.872 -6.529 1.00 31.11 H new ATOM 0 HZ2 LYS A 14 20.461 20.312 -6.665 1.00 31.11 H new ATOM 0 HZ3 LYS A 14 19.273 19.760 -7.746 1.00 31.11 H new ATOM 200 N ASP A 15 17.930 13.785 -6.639 1.00 42.10 N ATOM 201 CA ASP A 15 17.854 13.007 -7.870 1.00 64.10 C ATOM 202 C ASP A 15 16.407 12.659 -8.205 1.00 3.40 C ATOM 203 O ASP A 15 16.029 12.597 -9.374 1.00 41.52 O ATOM 204 CB ASP A 15 18.683 11.728 -7.742 1.00 34.54 C ATOM 205 CG ASP A 15 19.853 11.696 -8.705 1.00 52.20 C ATOM 206 OD1 ASP A 15 20.262 12.778 -9.176 1.00 72.33 O ATOM 207 OD2 ASP A 15 20.359 10.590 -8.988 1.00 50.05 O ATOM 0 H ASP A 15 18.757 13.597 -6.072 1.00 42.10 H new ATOM 0 HA ASP A 15 18.259 13.614 -8.680 1.00 64.10 H new ATOM 0 HB2 ASP A 15 19.054 11.640 -6.721 1.00 34.54 H new ATOM 0 HB3 ASP A 15 18.043 10.864 -7.924 1.00 34.54 H new ATOM 212 N GLU A 16 15.604 12.433 -7.170 1.00 73.45 N ATOM 213 CA GLU A 16 14.199 12.089 -7.356 1.00 52.33 C ATOM 214 C GLU A 16 13.336 13.346 -7.423 1.00 52.12 C ATOM 215 O GLU A 16 12.378 13.415 -8.194 1.00 31.34 O ATOM 216 CB GLU A 16 13.717 11.186 -6.219 1.00 53.30 C ATOM 217 CG GLU A 16 14.833 10.712 -5.304 1.00 31.41 C ATOM 218 CD GLU A 16 14.352 9.717 -4.265 1.00 65.33 C ATOM 219 OE1 GLU A 16 14.004 8.581 -4.650 1.00 31.34 O ATOM 220 OE2 GLU A 16 14.325 10.074 -3.069 1.00 72.31 O ATOM 0 H GLU A 16 15.902 12.482 -6.196 1.00 73.45 H new ATOM 0 HA GLU A 16 14.104 11.553 -8.300 1.00 52.33 H new ATOM 0 HB2 GLU A 16 12.977 11.725 -5.627 1.00 53.30 H new ATOM 0 HB3 GLU A 16 13.214 10.318 -6.644 1.00 53.30 H new ATOM 0 HG2 GLU A 16 15.620 10.254 -5.904 1.00 31.41 H new ATOM 0 HG3 GLU A 16 15.275 11.572 -4.801 1.00 31.41 H new ATOM 227 N PHE A 17 13.682 14.338 -6.610 1.00 1.41 N ATOM 228 CA PHE A 17 12.939 15.593 -6.575 1.00 21.43 C ATOM 229 C PHE A 17 12.875 16.226 -7.962 1.00 33.25 C ATOM 230 O PHE A 17 11.877 16.849 -8.326 1.00 22.34 O ATOM 231 CB PHE A 17 13.586 16.566 -5.587 1.00 22.30 C ATOM 232 CG PHE A 17 13.948 17.889 -6.199 1.00 65.41 C ATOM 233 CD1 PHE A 17 15.035 17.998 -7.052 1.00 1.24 C ATOM 234 CD2 PHE A 17 13.203 19.023 -5.921 1.00 74.13 C ATOM 235 CE1 PHE A 17 15.371 19.214 -7.617 1.00 20.01 C ATOM 236 CE2 PHE A 17 13.533 20.241 -6.484 1.00 4.11 C ATOM 237 CZ PHE A 17 14.620 20.337 -7.332 1.00 13.13 C ATOM 0 H PHE A 17 14.472 14.298 -5.966 1.00 1.41 H new ATOM 0 HA PHE A 17 11.923 15.376 -6.247 1.00 21.43 H new ATOM 0 HB2 PHE A 17 12.902 16.734 -4.755 1.00 22.30 H new ATOM 0 HB3 PHE A 17 14.485 16.108 -5.174 1.00 22.30 H new ATOM 0 HD1 PHE A 17 15.626 17.123 -7.278 1.00 1.24 H new ATOM 0 HD2 PHE A 17 12.354 18.955 -5.257 1.00 74.13 H new ATOM 0 HE1 PHE A 17 16.220 19.286 -8.281 1.00 20.01 H new ATOM 0 HE2 PHE A 17 12.942 21.117 -6.262 1.00 4.11 H new ATOM 0 HZ PHE A 17 14.882 21.289 -7.771 1.00 13.13 H new ATOM 247 N ASP A 18 13.946 16.062 -8.730 1.00 73.12 N ATOM 248 CA ASP A 18 14.012 16.616 -10.077 1.00 40.43 C ATOM 249 C ASP A 18 13.007 15.930 -10.997 1.00 41.44 C ATOM 250 O ASP A 18 12.471 16.548 -11.917 1.00 35.41 O ATOM 251 CB ASP A 18 15.425 16.468 -10.644 1.00 11.01 C ATOM 252 CG ASP A 18 16.201 17.770 -10.613 1.00 54.34 C ATOM 253 OD1 ASP A 18 15.869 18.678 -11.405 1.00 73.41 O ATOM 254 OD2 ASP A 18 17.139 17.883 -9.797 1.00 71.54 O ATOM 0 H ASP A 18 14.780 15.550 -8.443 1.00 73.12 H new ATOM 0 HA ASP A 18 13.761 17.675 -10.020 1.00 40.43 H new ATOM 0 HB2 ASP A 18 15.965 15.713 -10.073 1.00 11.01 H new ATOM 0 HB3 ASP A 18 15.365 16.108 -11.671 1.00 11.01 H new ATOM 259 N ALA A 19 12.758 14.650 -10.743 1.00 62.25 N ATOM 260 CA ALA A 19 11.817 13.880 -11.548 1.00 43.30 C ATOM 261 C ALA A 19 10.469 14.586 -11.641 1.00 40.53 C ATOM 262 O ALA A 19 9.662 14.288 -12.522 1.00 3.35 O ATOM 263 CB ALA A 19 11.645 12.484 -10.968 1.00 2.42 C ATOM 0 H ALA A 19 13.195 14.124 -9.986 1.00 62.25 H new ATOM 0 HA ALA A 19 12.224 13.795 -12.556 1.00 43.30 H new ATOM 0 HB1 ALA A 19 10.940 11.920 -11.579 1.00 2.42 H new ATOM 0 HB2 ALA A 19 12.607 11.972 -10.960 1.00 2.42 H new ATOM 0 HB3 ALA A 19 11.264 12.558 -9.949 1.00 2.42 H new ATOM 269 N GLN A 20 10.232 15.522 -10.728 1.00 10.41 N ATOM 270 CA GLN A 20 8.980 16.269 -10.708 1.00 11.45 C ATOM 271 C GLN A 20 9.202 17.715 -11.139 1.00 13.54 C ATOM 272 O GLN A 20 8.549 18.206 -12.060 1.00 20.35 O ATOM 273 CB GLN A 20 8.361 16.231 -9.309 1.00 62.21 C ATOM 274 CG GLN A 20 7.431 15.049 -9.088 1.00 10.12 C ATOM 275 CD GLN A 20 8.081 13.723 -9.430 1.00 74.22 C ATOM 276 OE1 GLN A 20 9.239 13.460 -8.837 1.00 23.44 O flip ATOM 277 NE2 GLN A 20 7.547 12.943 -10.220 1.00 1.22 N flip ATOM 0 H GLN A 20 10.890 15.781 -9.993 1.00 10.41 H new ATOM 0 HA GLN A 20 8.295 15.800 -11.414 1.00 11.45 H new ATOM 0 HB2 GLN A 20 9.160 16.198 -8.568 1.00 62.21 H new ATOM 0 HB3 GLN A 20 7.808 17.155 -9.140 1.00 62.21 H new ATOM 0 HG2 GLN A 20 7.110 15.034 -8.046 1.00 10.12 H new ATOM 0 HG3 GLN A 20 6.535 15.178 -9.696 1.00 10.12 H new ATOM 0 HE21 GLN A 20 6.656 13.186 -10.653 1.00 1.22 H new ATOM 0 HE22 GLN A 20 7.996 12.054 -10.441 1.00 1.22 H new ATOM 286 N MET A 21 10.126 18.393 -10.466 1.00 64.01 N ATOM 287 CA MET A 21 10.434 19.783 -10.781 1.00 4.22 C ATOM 288 C MET A 21 10.650 19.966 -12.280 1.00 3.43 C ATOM 289 O MET A 21 10.556 21.079 -12.800 1.00 64.41 O ATOM 290 CB MET A 21 11.678 20.238 -10.015 1.00 43.32 C ATOM 291 CG MET A 21 11.642 21.704 -9.614 1.00 24.14 C ATOM 292 SD MET A 21 10.217 22.108 -8.586 1.00 21.33 S ATOM 293 CE MET A 21 9.884 20.518 -7.830 1.00 12.53 C ATOM 0 H MET A 21 10.674 18.003 -9.700 1.00 64.01 H new ATOM 0 HA MET A 21 9.585 20.395 -10.477 1.00 4.22 H new ATOM 0 HB2 MET A 21 11.787 19.627 -9.119 1.00 43.32 H new ATOM 0 HB3 MET A 21 12.559 20.060 -10.631 1.00 43.32 H new ATOM 0 HG2 MET A 21 12.556 21.952 -9.075 1.00 24.14 H new ATOM 0 HG3 MET A 21 11.624 22.322 -10.512 1.00 24.14 H new ATOM 0 HE1 MET A 21 9.216 20.652 -6.979 1.00 12.53 H new ATOM 0 HE2 MET A 21 9.414 19.859 -8.560 1.00 12.53 H new ATOM 0 HE3 MET A 21 10.819 20.074 -7.490 1.00 12.53 H new ATOM 303 N THR A 22 10.940 18.868 -12.970 1.00 65.21 N ATOM 304 CA THR A 22 11.171 18.908 -14.409 1.00 21.35 C ATOM 305 C THR A 22 9.900 18.567 -15.179 1.00 5.42 C ATOM 306 O THR A 22 9.715 19.004 -16.315 1.00 32.11 O ATOM 307 CB THR A 22 12.288 17.932 -14.826 1.00 33.03 C ATOM 308 OG1 THR A 22 13.550 18.607 -14.835 1.00 43.42 O ATOM 309 CG2 THR A 22 12.009 17.348 -16.202 1.00 61.44 C ATOM 0 H THR A 22 11.021 17.939 -12.556 1.00 65.21 H new ATOM 0 HA THR A 22 11.478 19.925 -14.652 1.00 21.35 H new ATOM 0 HB THR A 22 12.318 17.117 -14.102 1.00 33.03 H new ATOM 0 HG1 THR A 22 14.255 17.979 -15.099 1.00 43.42 H new ATOM 0 HG21 THR A 22 12.811 16.662 -16.475 1.00 61.44 H new ATOM 0 HG22 THR A 22 11.061 16.810 -16.183 1.00 61.44 H new ATOM 0 HG23 THR A 22 11.955 18.153 -16.935 1.00 61.44 H new ATOM 317 N LYS A 23 9.027 17.786 -14.554 1.00 33.44 N ATOM 318 CA LYS A 23 7.771 17.388 -15.179 1.00 62.50 C ATOM 319 C LYS A 23 6.780 18.547 -15.197 1.00 5.23 C ATOM 320 O LYS A 23 5.607 18.368 -15.522 1.00 1.45 O ATOM 321 CB LYS A 23 7.164 16.195 -14.437 1.00 15.01 C ATOM 322 CG LYS A 23 7.526 14.851 -15.045 1.00 53.33 C ATOM 323 CD LYS A 23 7.370 13.723 -14.039 1.00 3.50 C ATOM 324 CE LYS A 23 8.373 12.608 -14.292 1.00 44.51 C ATOM 325 NZ LYS A 23 7.707 11.353 -14.737 1.00 40.43 N ATOM 0 H LYS A 23 9.166 17.415 -13.614 1.00 33.44 H new ATOM 0 HA LYS A 23 7.982 17.099 -16.208 1.00 62.50 H new ATOM 0 HB2 LYS A 23 7.497 16.216 -13.399 1.00 15.01 H new ATOM 0 HB3 LYS A 23 6.079 16.299 -14.426 1.00 15.01 H new ATOM 0 HG2 LYS A 23 6.891 14.659 -15.910 1.00 53.33 H new ATOM 0 HG3 LYS A 23 8.554 14.879 -15.405 1.00 53.33 H new ATOM 0 HD2 LYS A 23 7.504 14.113 -13.030 1.00 3.50 H new ATOM 0 HD3 LYS A 23 6.358 13.323 -14.094 1.00 3.50 H new ATOM 0 HE2 LYS A 23 9.088 12.928 -15.050 1.00 44.51 H new ATOM 0 HE3 LYS A 23 8.939 12.415 -13.381 1.00 44.51 H new ATOM 0 HZ1 LYS A 23 8.425 10.618 -14.899 1.00 40.43 H new ATOM 0 HZ2 LYS A 23 7.043 11.033 -14.003 1.00 40.43 H new ATOM 0 HZ3 LYS A 23 7.188 11.530 -15.620 1.00 40.43 H new ATOM 339 N ALA A 24 7.261 19.736 -14.847 1.00 24.31 N ATOM 340 CA ALA A 24 6.419 20.925 -14.826 1.00 74.23 C ATOM 341 C ALA A 24 6.773 21.869 -15.970 1.00 61.22 C ATOM 342 O ALA A 24 5.892 22.403 -16.644 1.00 70.01 O ATOM 343 CB ALA A 24 6.548 21.640 -13.490 1.00 11.23 C ATOM 0 H ALA A 24 8.230 19.901 -14.574 1.00 24.31 H new ATOM 0 HA ALA A 24 5.384 20.609 -14.958 1.00 74.23 H new ATOM 0 HB1 ALA A 24 5.913 22.526 -13.489 1.00 11.23 H new ATOM 0 HB2 ALA A 24 6.238 20.971 -12.688 1.00 11.23 H new ATOM 0 HB3 ALA A 24 7.585 21.936 -13.335 1.00 11.23 H new ATOM 349 N LYS A 25 8.069 22.071 -16.184 1.00 53.21 N ATOM 350 CA LYS A 25 8.541 22.951 -17.247 1.00 30.40 C ATOM 351 C LYS A 25 8.250 22.351 -18.619 1.00 23.41 C ATOM 352 O LYS A 25 7.923 23.069 -19.563 1.00 60.30 O ATOM 353 CB LYS A 25 10.043 23.204 -17.097 1.00 53.54 C ATOM 354 CG LYS A 25 10.856 21.938 -16.892 1.00 1.45 C ATOM 355 CD LYS A 25 11.792 22.065 -15.701 1.00 65.55 C ATOM 356 CE LYS A 25 12.472 23.425 -15.668 1.00 54.14 C ATOM 357 NZ LYS A 25 13.944 23.305 -15.482 1.00 42.52 N ATOM 0 H LYS A 25 8.811 21.637 -15.635 1.00 53.21 H new ATOM 0 HA LYS A 25 8.009 23.899 -17.164 1.00 30.40 H new ATOM 0 HB2 LYS A 25 10.407 23.719 -17.986 1.00 53.54 H new ATOM 0 HB3 LYS A 25 10.208 23.872 -16.252 1.00 53.54 H new ATOM 0 HG2 LYS A 25 10.184 21.093 -16.740 1.00 1.45 H new ATOM 0 HG3 LYS A 25 11.435 21.727 -17.791 1.00 1.45 H new ATOM 0 HD2 LYS A 25 11.231 21.915 -14.779 1.00 65.55 H new ATOM 0 HD3 LYS A 25 12.547 21.280 -15.745 1.00 65.55 H new ATOM 0 HE2 LYS A 25 12.266 23.957 -16.597 1.00 54.14 H new ATOM 0 HE3 LYS A 25 12.051 24.022 -14.859 1.00 54.14 H new ATOM 0 HZ1 LYS A 25 14.370 24.253 -15.465 1.00 42.52 H new ATOM 0 HZ2 LYS A 25 14.142 22.820 -14.583 1.00 42.52 H new ATOM 0 HZ3 LYS A 25 14.350 22.757 -16.268 1.00 42.52 H new ATOM 371 N GLU A 26 8.371 21.031 -18.720 1.00 71.43 N ATOM 372 CA GLU A 26 8.120 20.336 -19.977 1.00 60.44 C ATOM 373 C GLU A 26 6.623 20.249 -20.262 1.00 23.43 C ATOM 374 O GLU A 26 6.180 20.483 -21.385 1.00 54.04 O ATOM 375 CB GLU A 26 8.725 18.931 -19.939 1.00 24.11 C ATOM 376 CG GLU A 26 8.446 18.183 -18.646 1.00 75.33 C ATOM 377 CD GLU A 26 7.699 16.882 -18.875 1.00 5.53 C ATOM 378 OE1 GLU A 26 8.171 16.063 -19.690 1.00 32.40 O ATOM 379 OE2 GLU A 26 6.644 16.685 -18.237 1.00 52.11 O ATOM 0 H GLU A 26 8.641 20.422 -17.947 1.00 71.43 H new ATOM 0 HA GLU A 26 8.592 20.906 -20.777 1.00 60.44 H new ATOM 0 HB2 GLU A 26 8.332 18.353 -20.775 1.00 24.11 H new ATOM 0 HB3 GLU A 26 9.803 19.005 -20.081 1.00 24.11 H new ATOM 0 HG2 GLU A 26 9.389 17.972 -18.141 1.00 75.33 H new ATOM 0 HG3 GLU A 26 7.864 18.820 -17.980 1.00 75.33 H new ATOM 386 N ALA A 27 5.851 19.909 -19.235 1.00 13.40 N ATOM 387 CA ALA A 27 4.404 19.793 -19.373 1.00 64.41 C ATOM 388 C ALA A 27 3.740 21.165 -19.366 1.00 73.04 C ATOM 389 O ALA A 27 2.624 21.328 -19.859 1.00 63.35 O ATOM 390 CB ALA A 27 3.836 18.924 -18.261 1.00 24.52 C ATOM 0 H ALA A 27 6.203 19.709 -18.299 1.00 13.40 H new ATOM 0 HA ALA A 27 4.192 19.321 -20.332 1.00 64.41 H new ATOM 0 HB1 ALA A 27 2.755 18.846 -18.376 1.00 24.52 H new ATOM 0 HB2 ALA A 27 4.279 17.930 -18.314 1.00 24.52 H new ATOM 0 HB3 ALA A 27 4.066 19.373 -17.295 1.00 24.52 H new ATOM 396 N GLY A 28 4.432 22.150 -18.803 1.00 44.54 N ATOM 397 CA GLY A 28 3.892 23.496 -18.742 1.00 44.15 C ATOM 398 C GLY A 28 2.908 23.675 -17.604 1.00 21.13 C ATOM 399 O GLY A 28 1.907 24.377 -17.743 1.00 14.43 O ATOM 0 H GLY A 28 5.357 22.040 -18.388 1.00 44.54 H new ATOM 0 HA2 GLY A 28 4.710 24.207 -18.626 1.00 44.15 H new ATOM 0 HA3 GLY A 28 3.398 23.729 -19.685 1.00 44.15 H new ATOM 403 N LYS A 29 3.191 23.036 -16.473 1.00 43.53 N ATOM 404 CA LYS A 29 2.324 23.127 -15.305 1.00 11.12 C ATOM 405 C LYS A 29 3.090 23.659 -14.098 1.00 44.11 C ATOM 406 O LYS A 29 4.321 23.678 -14.091 1.00 43.52 O ATOM 407 CB LYS A 29 1.727 21.756 -14.979 1.00 62.04 C ATOM 408 CG LYS A 29 2.680 20.840 -14.230 1.00 51.35 C ATOM 409 CD LYS A 29 2.747 19.463 -14.869 1.00 2.11 C ATOM 410 CE LYS A 29 1.380 19.006 -15.353 1.00 73.20 C ATOM 411 NZ LYS A 29 1.122 17.578 -15.019 1.00 31.34 N ATOM 0 H LYS A 29 4.015 22.449 -16.341 1.00 43.53 H new ATOM 0 HA LYS A 29 1.517 23.822 -15.537 1.00 11.12 H new ATOM 0 HB2 LYS A 29 0.825 21.894 -14.383 1.00 62.04 H new ATOM 0 HB3 LYS A 29 1.424 21.271 -15.907 1.00 62.04 H new ATOM 0 HG2 LYS A 29 3.676 21.284 -14.214 1.00 51.35 H new ATOM 0 HG3 LYS A 29 2.356 20.746 -13.193 1.00 51.35 H new ATOM 0 HD2 LYS A 29 3.443 19.483 -15.708 1.00 2.11 H new ATOM 0 HD3 LYS A 29 3.138 18.745 -14.148 1.00 2.11 H new ATOM 0 HE2 LYS A 29 0.608 19.630 -14.902 1.00 73.20 H new ATOM 0 HE3 LYS A 29 1.312 19.145 -16.432 1.00 73.20 H new ATOM 0 HZ1 LYS A 29 0.180 17.305 -15.366 1.00 31.34 H new ATOM 0 HZ2 LYS A 29 1.844 16.980 -15.470 1.00 31.34 H new ATOM 0 HZ3 LYS A 29 1.162 17.450 -13.988 1.00 31.34 H new ATOM 425 N VAL A 30 2.355 24.089 -13.078 1.00 33.22 N ATOM 426 CA VAL A 30 2.965 24.618 -11.864 1.00 44.54 C ATOM 427 C VAL A 30 3.527 23.497 -10.997 1.00 51.33 C ATOM 428 O VAL A 30 3.137 22.338 -11.134 1.00 22.50 O ATOM 429 CB VAL A 30 1.955 25.435 -11.038 1.00 35.15 C ATOM 430 CG1 VAL A 30 2.158 25.188 -9.550 1.00 75.34 C ATOM 431 CG2 VAL A 30 2.075 26.916 -11.361 1.00 51.45 C ATOM 0 H VAL A 30 1.335 24.081 -13.068 1.00 33.22 H new ATOM 0 HA VAL A 30 3.778 25.272 -12.178 1.00 44.54 H new ATOM 0 HB VAL A 30 0.949 25.110 -11.303 1.00 35.15 H new ATOM 0 HG11 VAL A 30 1.435 25.774 -8.982 1.00 75.34 H new ATOM 0 HG12 VAL A 30 2.016 24.129 -9.334 1.00 75.34 H new ATOM 0 HG13 VAL A 30 3.168 25.484 -9.266 1.00 75.34 H new ATOM 0 HG21 VAL A 30 1.353 27.477 -10.768 1.00 51.45 H new ATOM 0 HG22 VAL A 30 3.083 27.259 -11.127 1.00 51.45 H new ATOM 0 HG23 VAL A 30 1.875 27.075 -12.421 1.00 51.45 H new ATOM 441 N VAL A 31 4.445 23.851 -10.104 1.00 2.03 N ATOM 442 CA VAL A 31 5.060 22.875 -9.212 1.00 1.00 C ATOM 443 C VAL A 31 4.771 23.206 -7.752 1.00 71.41 C ATOM 444 O VAL A 31 4.689 24.375 -7.374 1.00 60.25 O ATOM 445 CB VAL A 31 6.585 22.808 -9.419 1.00 72.33 C ATOM 446 CG1 VAL A 31 7.226 21.903 -8.378 1.00 1.52 C ATOM 447 CG2 VAL A 31 6.910 22.329 -10.826 1.00 62.21 C ATOM 0 H VAL A 31 4.779 24.806 -9.979 1.00 2.03 H new ATOM 0 HA VAL A 31 4.625 21.906 -9.455 1.00 1.00 H new ATOM 0 HB VAL A 31 6.996 23.810 -9.296 1.00 72.33 H new ATOM 0 HG11 VAL A 31 8.303 21.868 -8.540 1.00 1.52 H new ATOM 0 HG12 VAL A 31 7.022 22.293 -7.381 1.00 1.52 H new ATOM 0 HG13 VAL A 31 6.813 20.898 -8.466 1.00 1.52 H new ATOM 0 HG21 VAL A 31 7.991 22.287 -10.955 1.00 62.21 H new ATOM 0 HG22 VAL A 31 6.488 21.336 -10.979 1.00 62.21 H new ATOM 0 HG23 VAL A 31 6.484 23.020 -11.553 1.00 62.21 H new ATOM 457 N ILE A 32 4.617 22.169 -6.936 1.00 25.44 N ATOM 458 CA ILE A 32 4.339 22.349 -5.516 1.00 50.23 C ATOM 459 C ILE A 32 5.187 21.409 -4.666 1.00 11.52 C ATOM 460 O ILE A 32 4.858 20.233 -4.507 1.00 3.51 O ATOM 461 CB ILE A 32 2.851 22.108 -5.199 1.00 42.25 C ATOM 462 CG1 ILE A 32 1.968 22.957 -6.116 1.00 40.13 C ATOM 463 CG2 ILE A 32 2.563 22.422 -3.739 1.00 22.31 C ATOM 464 CD1 ILE A 32 1.479 22.215 -7.341 1.00 3.43 C ATOM 0 H ILE A 32 4.680 21.195 -7.233 1.00 25.44 H new ATOM 0 HA ILE A 32 4.591 23.381 -5.273 1.00 50.23 H new ATOM 0 HB ILE A 32 2.622 21.057 -5.376 1.00 42.25 H new ATOM 0 HG12 ILE A 32 1.108 23.314 -5.550 1.00 40.13 H new ATOM 0 HG13 ILE A 32 2.528 23.837 -6.433 1.00 40.13 H new ATOM 0 HG21 ILE A 32 1.508 22.247 -3.531 1.00 22.31 H new ATOM 0 HG22 ILE A 32 3.170 21.779 -3.102 1.00 22.31 H new ATOM 0 HG23 ILE A 32 2.804 23.466 -3.537 1.00 22.31 H new ATOM 0 HD11 ILE A 32 0.859 22.878 -7.945 1.00 3.43 H new ATOM 0 HD12 ILE A 32 2.334 21.881 -7.930 1.00 3.43 H new ATOM 0 HD13 ILE A 32 0.891 21.350 -7.032 1.00 3.43 H new ATOM 476 N ILE A 33 6.278 21.937 -4.120 1.00 72.42 N ATOM 477 CA ILE A 33 7.171 21.145 -3.283 1.00 42.52 C ATOM 478 C ILE A 33 6.871 21.359 -1.803 1.00 51.15 C ATOM 479 O ILE A 33 6.947 22.480 -1.300 1.00 21.35 O ATOM 480 CB ILE A 33 8.648 21.492 -3.551 1.00 53.21 C ATOM 481 CG1 ILE A 33 8.820 22.019 -4.977 1.00 72.24 C ATOM 482 CG2 ILE A 33 9.528 20.273 -3.321 1.00 2.22 C ATOM 483 CD1 ILE A 33 8.640 23.516 -5.095 1.00 10.15 C ATOM 0 H ILE A 33 6.564 22.908 -4.242 1.00 72.42 H new ATOM 0 HA ILE A 33 6.999 20.099 -3.539 1.00 42.52 H new ATOM 0 HB ILE A 33 8.955 22.274 -2.856 1.00 53.21 H new ATOM 0 HG12 ILE A 33 9.813 21.751 -5.337 1.00 72.24 H new ATOM 0 HG13 ILE A 33 8.101 21.522 -5.628 1.00 72.24 H new ATOM 0 HG21 ILE A 33 10.569 20.534 -3.514 1.00 2.22 H new ATOM 0 HG22 ILE A 33 9.423 19.938 -2.289 1.00 2.22 H new ATOM 0 HG23 ILE A 33 9.224 19.472 -3.995 1.00 2.22 H new ATOM 0 HD11 ILE A 33 8.776 23.818 -6.133 1.00 10.15 H new ATOM 0 HD12 ILE A 33 7.637 23.789 -4.766 1.00 10.15 H new ATOM 0 HD13 ILE A 33 9.377 24.021 -4.471 1.00 10.15 H new ATOM 495 N ASP A 34 6.531 20.277 -1.112 1.00 61.34 N ATOM 496 CA ASP A 34 6.222 20.344 0.311 1.00 1.32 C ATOM 497 C ASP A 34 7.467 20.075 1.151 1.00 71.11 C ATOM 498 O ASP A 34 7.761 18.930 1.494 1.00 31.34 O ATOM 499 CB ASP A 34 5.125 19.339 0.665 1.00 25.42 C ATOM 500 CG ASP A 34 5.272 18.794 2.072 1.00 14.15 C ATOM 501 OD1 ASP A 34 5.565 19.590 2.989 1.00 54.13 O ATOM 502 OD2 ASP A 34 5.094 17.572 2.258 1.00 71.35 O ATOM 0 H ASP A 34 6.462 19.342 -1.515 1.00 61.34 H new ATOM 0 HA ASP A 34 5.867 21.350 0.533 1.00 1.32 H new ATOM 0 HB2 ASP A 34 4.151 19.818 0.564 1.00 25.42 H new ATOM 0 HB3 ASP A 34 5.150 18.513 -0.046 1.00 25.42 H new ATOM 507 N PHE A 35 8.196 21.137 1.477 1.00 15.23 N ATOM 508 CA PHE A 35 9.410 21.015 2.275 1.00 2.40 C ATOM 509 C PHE A 35 9.090 20.512 3.679 1.00 22.05 C ATOM 510 O PHE A 35 7.984 20.042 3.947 1.00 72.23 O ATOM 511 CB PHE A 35 10.130 22.363 2.356 1.00 50.13 C ATOM 512 CG PHE A 35 11.010 22.645 1.171 1.00 34.23 C ATOM 513 CD1 PHE A 35 12.060 21.798 0.855 1.00 54.05 C ATOM 514 CD2 PHE A 35 10.786 23.756 0.374 1.00 2.04 C ATOM 515 CE1 PHE A 35 12.871 22.055 -0.234 1.00 51.54 C ATOM 516 CE2 PHE A 35 11.594 24.018 -0.716 1.00 50.41 C ATOM 517 CZ PHE A 35 12.637 23.166 -1.021 1.00 41.34 C ATOM 0 H PHE A 35 7.967 22.092 1.201 1.00 15.23 H new ATOM 0 HA PHE A 35 10.063 20.290 1.789 1.00 2.40 H new ATOM 0 HB2 PHE A 35 9.389 23.157 2.445 1.00 50.13 H new ATOM 0 HB3 PHE A 35 10.735 22.389 3.262 1.00 50.13 H new ATOM 0 HD1 PHE A 35 12.247 20.928 1.466 1.00 54.05 H new ATOM 0 HD2 PHE A 35 9.971 24.425 0.607 1.00 2.04 H new ATOM 0 HE1 PHE A 35 13.687 21.388 -0.470 1.00 51.54 H new ATOM 0 HE2 PHE A 35 11.410 24.888 -1.329 1.00 50.41 H new ATOM 0 HZ PHE A 35 13.269 23.368 -1.873 1.00 41.34 H new ATOM 527 N THR A 36 10.068 20.613 4.575 1.00 14.40 N ATOM 528 CA THR A 36 9.892 20.167 5.951 1.00 4.54 C ATOM 529 C THR A 36 11.236 20.003 6.651 1.00 25.14 C ATOM 530 O THR A 36 12.138 19.343 6.137 1.00 63.35 O ATOM 531 CB THR A 36 9.126 18.833 6.016 1.00 32.04 C ATOM 532 OG1 THR A 36 9.333 18.210 7.289 1.00 45.11 O ATOM 533 CG2 THR A 36 9.577 17.895 4.907 1.00 25.12 C ATOM 0 H THR A 36 10.990 21.000 4.372 1.00 14.40 H new ATOM 0 HA THR A 36 9.311 20.936 6.461 1.00 4.54 H new ATOM 0 HB THR A 36 8.065 19.043 5.883 1.00 32.04 H new ATOM 0 HG1 THR A 36 8.841 17.363 7.323 1.00 45.11 H new ATOM 0 HG21 THR A 36 9.022 16.959 4.974 1.00 25.12 H new ATOM 0 HG22 THR A 36 9.390 18.360 3.939 1.00 25.12 H new ATOM 0 HG23 THR A 36 10.643 17.693 5.013 1.00 25.12 H new ATOM 629 N ARG A 44 -0.379 14.099 9.106 1.00 13.33 N ATOM 630 CA ARG A 44 -1.388 13.142 9.543 1.00 74.01 C ATOM 631 C ARG A 44 -2.792 13.720 9.382 1.00 64.55 C ATOM 632 O ARG A 44 -3.669 13.090 8.790 1.00 12.14 O ATOM 633 CB ARG A 44 -1.152 12.749 11.002 1.00 2.24 C ATOM 634 CG ARG A 44 -0.139 11.629 11.175 1.00 33.31 C ATOM 635 CD ARG A 44 -0.610 10.605 12.197 1.00 41.24 C ATOM 636 NE ARG A 44 0.487 9.774 12.684 1.00 64.11 N ATOM 637 CZ ARG A 44 0.452 9.111 13.834 1.00 22.24 C ATOM 638 NH1 ARG A 44 -0.620 9.181 14.611 1.00 2.23 N ATOM 639 NH2 ARG A 44 1.491 8.375 14.209 1.00 33.15 N ATOM 0 HA ARG A 44 -1.305 12.254 8.917 1.00 74.01 H new ATOM 0 HB2 ARG A 44 -0.811 13.624 11.555 1.00 2.24 H new ATOM 0 HB3 ARG A 44 -2.100 12.442 11.445 1.00 2.24 H new ATOM 0 HG2 ARG A 44 0.029 11.138 10.217 1.00 33.31 H new ATOM 0 HG3 ARG A 44 0.817 12.047 11.491 1.00 33.31 H new ATOM 0 HD2 ARG A 44 -1.076 11.119 13.037 1.00 41.24 H new ATOM 0 HD3 ARG A 44 -1.374 9.970 11.749 1.00 41.24 H new ATOM 0 HE ARG A 44 1.326 9.699 12.109 1.00 64.11 H new ATOM 0 HH11 ARG A 44 -1.421 9.745 14.326 1.00 2.23 H new ATOM 0 HH12 ARG A 44 -0.644 8.671 15.494 1.00 2.23 H new ATOM 0 HH21 ARG A 44 2.317 8.318 13.614 1.00 33.15 H new ATOM 0 HH22 ARG A 44 1.463 7.866 15.093 1.00 33.15 H new ATOM 653 N PHE A 45 -2.996 14.921 9.912 1.00 61.14 N ATOM 654 CA PHE A 45 -4.292 15.583 9.828 1.00 75.01 C ATOM 655 C PHE A 45 -4.575 16.048 8.402 1.00 5.33 C ATOM 656 O PHE A 45 -5.685 15.888 7.894 1.00 65.30 O ATOM 657 CB PHE A 45 -4.343 16.776 10.785 1.00 64.30 C ATOM 658 CG PHE A 45 -5.548 17.650 10.591 1.00 52.14 C ATOM 659 CD1 PHE A 45 -6.733 17.376 11.254 1.00 54.03 C ATOM 660 CD2 PHE A 45 -5.496 18.746 9.744 1.00 34.11 C ATOM 661 CE1 PHE A 45 -7.845 18.179 11.077 1.00 23.23 C ATOM 662 CE2 PHE A 45 -6.604 19.552 9.564 1.00 12.41 C ATOM 663 CZ PHE A 45 -7.780 19.268 10.231 1.00 71.15 C ATOM 0 H PHE A 45 -2.280 15.456 10.404 1.00 61.14 H new ATOM 0 HA PHE A 45 -5.058 14.863 10.115 1.00 75.01 H new ATOM 0 HB2 PHE A 45 -4.332 16.409 11.811 1.00 64.30 H new ATOM 0 HB3 PHE A 45 -3.443 17.377 10.652 1.00 64.30 H new ATOM 0 HD1 PHE A 45 -6.789 16.525 11.917 1.00 54.03 H new ATOM 0 HD2 PHE A 45 -4.580 18.972 9.219 1.00 34.11 H new ATOM 0 HE1 PHE A 45 -8.763 17.954 11.600 1.00 23.23 H new ATOM 0 HE2 PHE A 45 -6.551 20.404 8.902 1.00 12.41 H new ATOM 0 HZ PHE A 45 -8.647 19.897 10.091 1.00 71.15 H new ATOM 673 N ILE A 46 -3.562 16.626 7.764 1.00 74.43 N ATOM 674 CA ILE A 46 -3.701 17.114 6.397 1.00 22.23 C ATOM 675 C ILE A 46 -3.038 16.165 5.405 1.00 74.54 C ATOM 676 O ILE A 46 -2.889 16.487 4.226 1.00 15.15 O ATOM 677 CB ILE A 46 -3.087 18.517 6.236 1.00 53.20 C ATOM 678 CG1 ILE A 46 -3.727 19.244 5.051 1.00 24.00 C ATOM 679 CG2 ILE A 46 -1.580 18.419 6.053 1.00 32.44 C ATOM 680 CD1 ILE A 46 -3.709 20.751 5.185 1.00 23.42 C ATOM 0 H ILE A 46 -2.638 16.768 8.171 1.00 74.43 H new ATOM 0 HA ILE A 46 -4.769 17.167 6.187 1.00 22.23 H new ATOM 0 HB ILE A 46 -3.286 19.091 7.141 1.00 53.20 H new ATOM 0 HG12 ILE A 46 -3.204 18.962 4.137 1.00 24.00 H new ATOM 0 HG13 ILE A 46 -4.759 18.909 4.944 1.00 24.00 H new ATOM 0 HG21 ILE A 46 -1.161 19.419 5.941 1.00 32.44 H new ATOM 0 HG22 ILE A 46 -1.138 17.937 6.925 1.00 32.44 H new ATOM 0 HG23 ILE A 46 -1.359 17.831 5.162 1.00 32.44 H new ATOM 0 HD11 ILE A 46 -4.179 21.200 4.310 1.00 23.42 H new ATOM 0 HD12 ILE A 46 -4.257 21.043 6.081 1.00 23.42 H new ATOM 0 HD13 ILE A 46 -2.678 21.097 5.261 1.00 23.42 H new ATOM 692 N ALA A 47 -2.644 14.991 5.889 1.00 11.40 N ATOM 693 CA ALA A 47 -2.001 13.993 5.044 1.00 51.13 C ATOM 694 C ALA A 47 -2.876 13.644 3.844 1.00 4.02 C ATOM 695 O ALA A 47 -2.452 13.727 2.691 1.00 2.43 O ATOM 696 CB ALA A 47 -1.685 12.743 5.851 1.00 73.52 C ATOM 0 H ALA A 47 -2.759 14.708 6.862 1.00 11.40 H new ATOM 0 HA ALA A 47 -1.069 14.416 4.670 1.00 51.13 H new ATOM 0 HB1 ALA A 47 -1.205 12.006 5.207 1.00 73.52 H new ATOM 0 HB2 ALA A 47 -1.015 12.999 6.672 1.00 73.52 H new ATOM 0 HB3 ALA A 47 -2.608 12.327 6.253 1.00 73.52 H new ATOM 702 N PRO A 48 -4.126 13.243 4.119 1.00 64.30 N ATOM 703 CA PRO A 48 -5.086 12.873 3.075 1.00 63.41 C ATOM 704 C PRO A 48 -5.547 14.075 2.259 1.00 44.25 C ATOM 705 O PRO A 48 -6.439 13.962 1.418 1.00 44.54 O ATOM 706 CB PRO A 48 -6.257 12.281 3.863 1.00 2.14 C ATOM 707 CG PRO A 48 -6.164 12.913 5.210 1.00 75.54 C ATOM 708 CD PRO A 48 -4.698 13.120 5.470 1.00 31.31 C ATOM 0 HA PRO A 48 -4.653 12.186 2.348 1.00 63.41 H new ATOM 0 HB2 PRO A 48 -7.210 12.506 3.385 1.00 2.14 H new ATOM 0 HB3 PRO A 48 -6.182 11.196 3.929 1.00 2.14 H new ATOM 0 HG2 PRO A 48 -6.702 13.861 5.234 1.00 75.54 H new ATOM 0 HG3 PRO A 48 -6.609 12.274 5.973 1.00 75.54 H new ATOM 0 HD2 PRO A 48 -4.518 14.015 6.066 1.00 31.31 H new ATOM 0 HD3 PRO A 48 -4.264 12.282 6.015 1.00 31.31 H new ATOM 716 N VAL A 49 -4.933 15.227 2.511 1.00 24.25 N ATOM 717 CA VAL A 49 -5.279 16.451 1.799 1.00 70.44 C ATOM 718 C VAL A 49 -4.246 16.772 0.724 1.00 32.13 C ATOM 719 O VAL A 49 -4.594 17.054 -0.423 1.00 34.55 O ATOM 720 CB VAL A 49 -5.392 17.648 2.761 1.00 72.21 C ATOM 721 CG1 VAL A 49 -5.185 18.956 2.013 1.00 71.12 C ATOM 722 CG2 VAL A 49 -6.738 17.636 3.469 1.00 55.40 C ATOM 0 H VAL A 49 -4.193 15.338 3.204 1.00 24.25 H new ATOM 0 HA VAL A 49 -6.248 16.280 1.329 1.00 70.44 H new ATOM 0 HB VAL A 49 -4.610 17.561 3.515 1.00 72.21 H new ATOM 0 HG11 VAL A 49 -5.269 19.790 2.709 1.00 71.12 H new ATOM 0 HG12 VAL A 49 -4.195 18.962 1.557 1.00 71.12 H new ATOM 0 HG13 VAL A 49 -5.943 19.055 1.236 1.00 71.12 H new ATOM 0 HG21 VAL A 49 -6.801 18.489 4.145 1.00 55.40 H new ATOM 0 HG22 VAL A 49 -7.538 17.698 2.731 1.00 55.40 H new ATOM 0 HG23 VAL A 49 -6.841 16.713 4.039 1.00 55.40 H new ATOM 732 N PHE A 50 -2.973 16.727 1.103 1.00 12.41 N ATOM 733 CA PHE A 50 -1.888 17.014 0.172 1.00 10.31 C ATOM 734 C PHE A 50 -1.880 16.013 -0.979 1.00 72.13 C ATOM 735 O PHE A 50 -2.176 16.362 -2.122 1.00 11.14 O ATOM 736 CB PHE A 50 -0.542 16.983 0.899 1.00 31.02 C ATOM 737 CG PHE A 50 -0.437 17.990 2.009 1.00 62.41 C ATOM 738 CD1 PHE A 50 -1.393 18.982 2.155 1.00 62.10 C ATOM 739 CD2 PHE A 50 0.618 17.943 2.906 1.00 12.34 C ATOM 740 CE1 PHE A 50 -1.298 19.910 3.175 1.00 63.22 C ATOM 741 CE2 PHE A 50 0.718 18.868 3.929 1.00 51.34 C ATOM 742 CZ PHE A 50 -0.242 19.852 4.063 1.00 2.24 C ATOM 0 H PHE A 50 -2.668 16.495 2.048 1.00 12.41 H new ATOM 0 HA PHE A 50 -2.049 18.011 -0.238 1.00 10.31 H new ATOM 0 HB2 PHE A 50 -0.382 15.985 1.308 1.00 31.02 H new ATOM 0 HB3 PHE A 50 0.255 17.164 0.178 1.00 31.02 H new ATOM 0 HD1 PHE A 50 -2.222 19.031 1.464 1.00 62.10 H new ATOM 0 HD2 PHE A 50 1.371 17.175 2.805 1.00 12.34 H new ATOM 0 HE1 PHE A 50 -2.049 20.680 3.277 1.00 63.22 H new ATOM 0 HE2 PHE A 50 1.545 18.821 4.622 1.00 51.34 H new ATOM 0 HZ PHE A 50 -0.167 20.575 4.861 1.00 2.24 H new ATOM 752 N ALA A 51 -1.539 14.767 -0.669 1.00 61.52 N ATOM 753 CA ALA A 51 -1.494 13.714 -1.676 1.00 64.15 C ATOM 754 C ALA A 51 -2.775 13.689 -2.502 1.00 72.24 C ATOM 755 O ALA A 51 -2.731 13.671 -3.732 1.00 10.00 O ATOM 756 CB ALA A 51 -1.262 12.362 -1.017 1.00 43.33 C ATOM 0 H ALA A 51 -1.290 14.462 0.272 1.00 61.52 H new ATOM 0 HA ALA A 51 -0.663 13.925 -2.349 1.00 64.15 H new ATOM 0 HB1 ALA A 51 -1.231 11.585 -1.781 1.00 43.33 H new ATOM 0 HB2 ALA A 51 -0.315 12.378 -0.477 1.00 43.33 H new ATOM 0 HB3 ALA A 51 -2.074 12.153 -0.320 1.00 43.33 H new ATOM 762 N GLU A 52 -3.915 13.687 -1.818 1.00 61.11 N ATOM 763 CA GLU A 52 -5.209 13.662 -2.490 1.00 43.34 C ATOM 764 C GLU A 52 -5.386 14.894 -3.374 1.00 71.42 C ATOM 765 O GLU A 52 -6.084 14.848 -4.388 1.00 3.33 O ATOM 766 CB GLU A 52 -6.341 13.591 -1.463 1.00 63.24 C ATOM 767 CG GLU A 52 -6.958 14.942 -1.143 1.00 30.30 C ATOM 768 CD GLU A 52 -8.160 14.831 -0.226 1.00 34.23 C ATOM 769 OE1 GLU A 52 -8.938 13.866 -0.382 1.00 21.12 O ATOM 770 OE2 GLU A 52 -8.324 15.708 0.647 1.00 12.25 O ATOM 0 H GLU A 52 -3.969 13.702 -0.800 1.00 61.11 H new ATOM 0 HA GLU A 52 -5.245 12.774 -3.121 1.00 43.34 H new ATOM 0 HB2 GLU A 52 -7.119 12.925 -1.837 1.00 63.24 H new ATOM 0 HB3 GLU A 52 -5.959 13.149 -0.543 1.00 63.24 H new ATOM 0 HG2 GLU A 52 -6.207 15.579 -0.676 1.00 30.30 H new ATOM 0 HG3 GLU A 52 -7.257 15.430 -2.071 1.00 30.30 H new ATOM 777 N TYR A 53 -4.750 15.992 -2.982 1.00 54.13 N ATOM 778 CA TYR A 53 -4.840 17.237 -3.736 1.00 62.12 C ATOM 779 C TYR A 53 -3.985 17.172 -4.998 1.00 43.11 C ATOM 780 O TYR A 53 -4.428 17.552 -6.082 1.00 24.04 O ATOM 781 CB TYR A 53 -4.399 18.416 -2.868 1.00 3.31 C ATOM 782 CG TYR A 53 -5.486 18.937 -1.956 1.00 35.01 C ATOM 783 CD1 TYR A 53 -6.671 18.232 -1.782 1.00 0.14 C ATOM 784 CD2 TYR A 53 -5.329 20.134 -1.268 1.00 31.25 C ATOM 785 CE1 TYR A 53 -7.668 18.705 -0.950 1.00 64.40 C ATOM 786 CE2 TYR A 53 -6.320 20.613 -0.433 1.00 1.24 C ATOM 787 CZ TYR A 53 -7.487 19.895 -0.278 1.00 14.34 C ATOM 788 OH TYR A 53 -8.477 20.369 0.553 1.00 73.31 O ATOM 0 H TYR A 53 -4.167 16.046 -2.147 1.00 54.13 H new ATOM 0 HA TYR A 53 -5.880 17.380 -4.030 1.00 62.12 H new ATOM 0 HB2 TYR A 53 -3.544 18.112 -2.264 1.00 3.31 H new ATOM 0 HB3 TYR A 53 -4.060 19.225 -3.515 1.00 3.31 H new ATOM 0 HD1 TYR A 53 -6.815 17.299 -2.306 1.00 0.14 H new ATOM 0 HD2 TYR A 53 -4.417 20.700 -1.388 1.00 31.25 H new ATOM 0 HE1 TYR A 53 -8.584 18.146 -0.827 1.00 64.40 H new ATOM 0 HE2 TYR A 53 -6.181 21.545 0.095 1.00 1.24 H new ATOM 0 HH TYR A 53 -8.699 21.291 0.305 1.00 73.31 H new ATOM 798 N ALA A 54 -2.756 16.687 -4.848 1.00 54.23 N ATOM 799 CA ALA A 54 -1.839 16.569 -5.975 1.00 11.31 C ATOM 800 C ALA A 54 -2.564 16.079 -7.224 1.00 24.11 C ATOM 801 O ALA A 54 -2.304 16.551 -8.331 1.00 25.31 O ATOM 802 CB ALA A 54 -0.692 15.633 -5.626 1.00 31.53 C ATOM 0 H ALA A 54 -2.373 16.370 -3.957 1.00 54.23 H new ATOM 0 HA ALA A 54 -1.434 17.558 -6.187 1.00 11.31 H new ATOM 0 HB1 ALA A 54 -0.015 15.554 -6.477 1.00 31.53 H new ATOM 0 HB2 ALA A 54 -0.150 16.027 -4.766 1.00 31.53 H new ATOM 0 HB3 ALA A 54 -1.088 14.647 -5.385 1.00 31.53 H new ATOM 808 N LYS A 55 -3.474 15.128 -7.039 1.00 44.54 N ATOM 809 CA LYS A 55 -4.237 14.574 -8.151 1.00 31.52 C ATOM 810 C LYS A 55 -5.396 15.491 -8.526 1.00 73.04 C ATOM 811 O LYS A 55 -5.650 15.737 -9.706 1.00 33.12 O ATOM 812 CB LYS A 55 -4.769 13.185 -7.788 1.00 65.13 C ATOM 813 CG LYS A 55 -3.718 12.271 -7.183 1.00 22.45 C ATOM 814 CD LYS A 55 -4.352 11.149 -6.378 1.00 31.43 C ATOM 815 CE LYS A 55 -5.304 10.322 -7.228 1.00 54.02 C ATOM 816 NZ LYS A 55 -4.606 9.195 -7.906 1.00 53.05 N ATOM 0 H LYS A 55 -3.701 14.725 -6.130 1.00 44.54 H new ATOM 0 HA LYS A 55 -3.571 14.489 -9.010 1.00 31.52 H new ATOM 0 HB2 LYS A 55 -5.593 13.294 -7.083 1.00 65.13 H new ATOM 0 HB3 LYS A 55 -5.175 12.715 -8.684 1.00 65.13 H new ATOM 0 HG2 LYS A 55 -3.102 11.848 -7.977 1.00 22.45 H new ATOM 0 HG3 LYS A 55 -3.056 12.852 -6.541 1.00 22.45 H new ATOM 0 HD2 LYS A 55 -3.572 10.505 -5.973 1.00 31.43 H new ATOM 0 HD3 LYS A 55 -4.892 11.569 -5.529 1.00 31.43 H new ATOM 0 HE2 LYS A 55 -6.103 9.929 -6.600 1.00 54.02 H new ATOM 0 HE3 LYS A 55 -5.772 10.962 -7.976 1.00 54.02 H new ATOM 0 HZ1 LYS A 55 -5.289 8.656 -8.475 1.00 53.05 H new ATOM 0 HZ2 LYS A 55 -3.860 9.571 -8.525 1.00 53.05 H new ATOM 0 HZ3 LYS A 55 -4.181 8.570 -7.192 1.00 53.05 H new ATOM 830 N LYS A 56 -6.096 15.996 -7.516 1.00 53.13 N ATOM 831 CA LYS A 56 -7.227 16.889 -7.739 1.00 52.15 C ATOM 832 C LYS A 56 -6.853 18.011 -8.703 1.00 61.31 C ATOM 833 O LYS A 56 -7.682 18.469 -9.490 1.00 2.24 O ATOM 834 CB LYS A 56 -7.705 17.481 -6.412 1.00 15.31 C ATOM 835 CG LYS A 56 -8.194 16.439 -5.422 1.00 31.54 C ATOM 836 CD LYS A 56 -9.627 16.706 -4.991 1.00 44.13 C ATOM 837 CE LYS A 56 -9.752 18.039 -4.269 1.00 21.44 C ATOM 838 NZ LYS A 56 -11.136 18.582 -4.343 1.00 34.10 N ATOM 0 H LYS A 56 -5.900 15.802 -6.534 1.00 53.13 H new ATOM 0 HA LYS A 56 -8.035 16.307 -8.182 1.00 52.15 H new ATOM 0 HB2 LYS A 56 -6.889 18.044 -5.960 1.00 15.31 H new ATOM 0 HB3 LYS A 56 -8.510 18.189 -6.609 1.00 15.31 H new ATOM 0 HG2 LYS A 56 -8.127 15.449 -5.873 1.00 31.54 H new ATOM 0 HG3 LYS A 56 -7.545 16.435 -4.546 1.00 31.54 H new ATOM 0 HD2 LYS A 56 -10.278 16.702 -5.865 1.00 44.13 H new ATOM 0 HD3 LYS A 56 -9.967 15.903 -4.337 1.00 44.13 H new ATOM 0 HE2 LYS A 56 -9.466 17.914 -3.225 1.00 21.44 H new ATOM 0 HE3 LYS A 56 -9.057 18.756 -4.707 1.00 21.44 H new ATOM 0 HZ1 LYS A 56 -11.180 19.491 -3.839 1.00 34.10 H new ATOM 0 HZ2 LYS A 56 -11.400 18.725 -5.339 1.00 34.10 H new ATOM 0 HZ3 LYS A 56 -11.797 17.910 -3.903 1.00 34.10 H new ATOM 852 N PHE A 57 -5.600 18.447 -8.638 1.00 5.35 N ATOM 853 CA PHE A 57 -5.116 19.515 -9.505 1.00 5.01 C ATOM 854 C PHE A 57 -4.160 18.967 -10.561 1.00 22.03 C ATOM 855 O PHE A 57 -2.948 18.888 -10.357 1.00 12.42 O ATOM 856 CB PHE A 57 -4.415 20.595 -8.678 1.00 23.33 C ATOM 857 CG PHE A 57 -5.345 21.661 -8.173 1.00 25.24 C ATOM 858 CD1 PHE A 57 -6.010 21.504 -6.968 1.00 10.14 C ATOM 859 CD2 PHE A 57 -5.553 22.819 -8.903 1.00 54.34 C ATOM 860 CE1 PHE A 57 -6.866 22.483 -6.500 1.00 10.33 C ATOM 861 CE2 PHE A 57 -6.408 23.802 -8.440 1.00 42.14 C ATOM 862 CZ PHE A 57 -7.066 23.633 -7.238 1.00 1.42 C ATOM 0 H PHE A 57 -4.901 18.077 -7.994 1.00 5.35 H new ATOM 0 HA PHE A 57 -5.975 19.955 -10.011 1.00 5.01 H new ATOM 0 HB2 PHE A 57 -3.918 20.126 -7.829 1.00 23.33 H new ATOM 0 HB3 PHE A 57 -3.638 21.060 -9.285 1.00 23.33 H new ATOM 0 HD1 PHE A 57 -5.858 20.606 -6.387 1.00 10.14 H new ATOM 0 HD2 PHE A 57 -5.042 22.956 -9.844 1.00 54.34 H new ATOM 0 HE1 PHE A 57 -7.378 22.349 -5.558 1.00 10.33 H new ATOM 0 HE2 PHE A 57 -6.561 24.701 -9.018 1.00 42.14 H new ATOM 0 HZ PHE A 57 -7.736 24.399 -6.876 1.00 1.42 H new ATOM 872 N PRO A 58 -4.717 18.578 -11.717 1.00 62.21 N ATOM 873 CA PRO A 58 -3.933 18.030 -12.828 1.00 51.14 C ATOM 874 C PRO A 58 -3.055 19.084 -13.493 1.00 44.41 C ATOM 875 O PRO A 58 -2.307 18.786 -14.423 1.00 44.43 O ATOM 876 CB PRO A 58 -5.002 17.532 -13.804 1.00 61.14 C ATOM 877 CG PRO A 58 -6.204 18.360 -13.505 1.00 63.32 C ATOM 878 CD PRO A 58 -6.154 18.643 -12.029 1.00 74.12 C ATOM 0 HA PRO A 58 -3.243 17.254 -12.496 1.00 51.14 H new ATOM 0 HB2 PRO A 58 -4.683 17.657 -14.839 1.00 61.14 H new ATOM 0 HB3 PRO A 58 -5.206 16.471 -13.660 1.00 61.14 H new ATOM 0 HG2 PRO A 58 -6.193 19.286 -14.081 1.00 63.32 H new ATOM 0 HG3 PRO A 58 -7.119 17.830 -13.770 1.00 63.32 H new ATOM 0 HD2 PRO A 58 -6.572 19.622 -11.793 1.00 74.12 H new ATOM 0 HD3 PRO A 58 -6.722 17.908 -11.460 1.00 74.12 H new ATOM 886 N GLY A 59 -3.150 20.319 -13.009 1.00 13.11 N ATOM 887 CA GLY A 59 -2.358 21.399 -13.568 1.00 71.33 C ATOM 888 C GLY A 59 -1.078 21.640 -12.794 1.00 2.04 C ATOM 889 O GLY A 59 -0.481 22.712 -12.886 1.00 13.40 O ATOM 0 H GLY A 59 -3.762 20.591 -12.239 1.00 13.11 H new ATOM 0 HA2 GLY A 59 -2.114 21.167 -14.605 1.00 71.33 H new ATOM 0 HA3 GLY A 59 -2.951 22.313 -13.577 1.00 71.33 H new ATOM 893 N ALA A 60 -0.655 20.641 -12.026 1.00 71.32 N ATOM 894 CA ALA A 60 0.563 20.749 -11.232 1.00 53.45 C ATOM 895 C ALA A 60 1.257 19.398 -11.104 1.00 72.31 C ATOM 896 O ALA A 60 0.655 18.353 -11.353 1.00 14.21 O ATOM 897 CB ALA A 60 0.247 21.316 -9.856 1.00 73.40 C ATOM 0 H ALA A 60 -1.138 19.747 -11.937 1.00 71.32 H new ATOM 0 HA ALA A 60 1.243 21.429 -11.745 1.00 53.45 H new ATOM 0 HB1 ALA A 60 1.165 21.391 -9.274 1.00 73.40 H new ATOM 0 HB2 ALA A 60 -0.197 22.306 -9.963 1.00 73.40 H new ATOM 0 HB3 ALA A 60 -0.455 20.658 -9.344 1.00 73.40 H new ATOM 903 N VAL A 61 2.527 19.425 -10.715 1.00 25.33 N ATOM 904 CA VAL A 61 3.304 18.201 -10.553 1.00 13.20 C ATOM 905 C VAL A 61 3.337 17.760 -9.094 1.00 0.30 C ATOM 906 O VAL A 61 3.446 16.571 -8.796 1.00 20.21 O ATOM 907 CB VAL A 61 4.748 18.382 -11.056 1.00 41.13 C ATOM 908 CG1 VAL A 61 4.757 19.033 -12.431 1.00 60.53 C ATOM 909 CG2 VAL A 61 5.559 19.202 -10.064 1.00 53.22 C ATOM 0 H VAL A 61 3.041 20.281 -10.506 1.00 25.33 H new ATOM 0 HA VAL A 61 2.813 17.433 -11.151 1.00 13.20 H new ATOM 0 HB VAL A 61 5.210 17.398 -11.143 1.00 41.13 H new ATOM 0 HG11 VAL A 61 5.786 19.153 -12.770 1.00 60.53 H new ATOM 0 HG12 VAL A 61 4.214 18.403 -13.135 1.00 60.53 H new ATOM 0 HG13 VAL A 61 4.278 20.010 -12.374 1.00 60.53 H new ATOM 0 HG21 VAL A 61 6.577 19.320 -10.436 1.00 53.22 H new ATOM 0 HG22 VAL A 61 5.101 20.184 -9.943 1.00 53.22 H new ATOM 0 HG23 VAL A 61 5.581 18.691 -9.102 1.00 53.22 H new ATOM 919 N PHE A 62 3.242 18.727 -8.187 1.00 51.12 N ATOM 920 CA PHE A 62 3.262 18.439 -6.758 1.00 15.22 C ATOM 921 C PHE A 62 4.489 17.612 -6.386 1.00 40.43 C ATOM 922 O PHE A 62 5.185 17.088 -7.257 1.00 3.13 O ATOM 923 CB PHE A 62 1.989 17.696 -6.348 1.00 74.52 C ATOM 924 CG PHE A 62 0.748 18.538 -6.433 1.00 43.32 C ATOM 925 CD1 PHE A 62 0.089 18.705 -7.641 1.00 5.25 C ATOM 926 CD2 PHE A 62 0.242 19.164 -5.306 1.00 15.14 C ATOM 927 CE1 PHE A 62 -1.052 19.480 -7.722 1.00 74.21 C ATOM 928 CE2 PHE A 62 -0.900 19.940 -5.381 1.00 31.50 C ATOM 929 CZ PHE A 62 -1.547 20.099 -6.591 1.00 31.41 C ATOM 0 H PHE A 62 3.150 19.717 -8.417 1.00 51.12 H new ATOM 0 HA PHE A 62 3.310 19.387 -6.223 1.00 15.22 H new ATOM 0 HB2 PHE A 62 1.868 16.820 -6.985 1.00 74.52 H new ATOM 0 HB3 PHE A 62 2.103 17.333 -5.326 1.00 74.52 H new ATOM 0 HD1 PHE A 62 0.472 18.224 -8.529 1.00 5.25 H new ATOM 0 HD2 PHE A 62 0.745 19.045 -4.358 1.00 15.14 H new ATOM 0 HE1 PHE A 62 -1.556 19.602 -8.669 1.00 74.21 H new ATOM 0 HE2 PHE A 62 -1.286 20.421 -4.494 1.00 31.50 H new ATOM 0 HZ PHE A 62 -2.438 20.706 -6.652 1.00 31.41 H new ATOM 939 N LEU A 63 4.749 17.500 -5.088 1.00 53.54 N ATOM 940 CA LEU A 63 5.892 16.738 -4.600 1.00 24.01 C ATOM 941 C LEU A 63 6.267 17.165 -3.184 1.00 74.40 C ATOM 942 O LEU A 63 6.032 18.305 -2.785 1.00 40.50 O ATOM 943 CB LEU A 63 7.090 16.923 -5.534 1.00 32.43 C ATOM 944 CG LEU A 63 8.466 16.670 -4.918 1.00 24.31 C ATOM 945 CD1 LEU A 63 8.866 15.212 -5.084 1.00 60.14 C ATOM 946 CD2 LEU A 63 9.508 17.585 -5.545 1.00 53.04 C ATOM 0 H LEU A 63 4.183 17.928 -4.355 1.00 53.54 H new ATOM 0 HA LEU A 63 5.613 15.684 -4.581 1.00 24.01 H new ATOM 0 HB2 LEU A 63 6.967 16.255 -6.386 1.00 32.43 H new ATOM 0 HB3 LEU A 63 7.069 17.942 -5.922 1.00 32.43 H new ATOM 0 HG LEU A 63 8.411 16.891 -3.852 1.00 24.31 H new ATOM 0 HD11 LEU A 63 9.848 15.051 -4.639 1.00 60.14 H new ATOM 0 HD12 LEU A 63 8.134 14.575 -4.587 1.00 60.14 H new ATOM 0 HD13 LEU A 63 8.903 14.963 -6.145 1.00 60.14 H new ATOM 0 HD21 LEU A 63 10.481 17.391 -5.094 1.00 53.04 H new ATOM 0 HD22 LEU A 63 9.560 17.396 -6.617 1.00 53.04 H new ATOM 0 HD23 LEU A 63 9.230 18.625 -5.373 1.00 53.04 H new ATOM 958 N LYS A 64 6.852 16.241 -2.429 1.00 10.32 N ATOM 959 CA LYS A 64 7.263 16.521 -1.058 1.00 52.31 C ATOM 960 C LYS A 64 8.685 16.032 -0.806 1.00 24.02 C ATOM 961 O LYS A 64 9.006 14.869 -1.053 1.00 14.22 O ATOM 962 CB LYS A 64 6.301 15.858 -0.070 1.00 21.51 C ATOM 963 CG LYS A 64 6.991 15.273 1.151 1.00 53.32 C ATOM 964 CD LYS A 64 7.125 13.763 1.046 1.00 2.40 C ATOM 965 CE LYS A 64 5.794 13.107 0.715 1.00 33.10 C ATOM 966 NZ LYS A 64 5.570 11.872 1.516 1.00 32.15 N ATOM 0 H LYS A 64 7.052 15.292 -2.743 1.00 10.32 H new ATOM 0 HA LYS A 64 7.238 17.601 -0.911 1.00 52.31 H new ATOM 0 HB2 LYS A 64 5.565 16.593 0.256 1.00 21.51 H new ATOM 0 HB3 LYS A 64 5.755 15.066 -0.583 1.00 21.51 H new ATOM 0 HG2 LYS A 64 7.979 15.720 1.261 1.00 53.32 H new ATOM 0 HG3 LYS A 64 6.425 15.527 2.047 1.00 53.32 H new ATOM 0 HD2 LYS A 64 7.856 13.514 0.276 1.00 2.40 H new ATOM 0 HD3 LYS A 64 7.504 13.364 1.987 1.00 2.40 H new ATOM 0 HE2 LYS A 64 4.985 13.813 0.902 1.00 33.10 H new ATOM 0 HE3 LYS A 64 5.764 12.862 -0.347 1.00 33.10 H new ATOM 0 HZ1 LYS A 64 4.703 11.400 1.190 1.00 32.15 H new ATOM 0 HZ2 LYS A 64 6.379 11.230 1.397 1.00 32.15 H new ATOM 0 HZ3 LYS A 64 5.471 12.123 2.520 1.00 32.15 H new ATOM 980 N VAL A 65 9.535 16.927 -0.311 1.00 61.50 N ATOM 981 CA VAL A 65 10.923 16.585 -0.023 1.00 31.23 C ATOM 982 C VAL A 65 11.270 16.877 1.433 1.00 73.21 C ATOM 983 O VAL A 65 10.410 17.277 2.218 1.00 22.03 O ATOM 984 CB VAL A 65 11.893 17.359 -0.935 1.00 73.22 C ATOM 985 CG1 VAL A 65 11.237 17.667 -2.273 1.00 31.33 C ATOM 986 CG2 VAL A 65 12.359 18.637 -0.254 1.00 62.42 C ATOM 0 H VAL A 65 9.287 17.894 -0.101 1.00 61.50 H new ATOM 0 HA VAL A 65 11.032 15.517 -0.213 1.00 31.23 H new ATOM 0 HB VAL A 65 12.766 16.734 -1.121 1.00 73.22 H new ATOM 0 HG11 VAL A 65 11.937 18.214 -2.904 1.00 31.33 H new ATOM 0 HG12 VAL A 65 10.958 16.735 -2.764 1.00 31.33 H new ATOM 0 HG13 VAL A 65 10.346 18.273 -2.110 1.00 31.33 H new ATOM 0 HG21 VAL A 65 13.044 19.171 -0.913 1.00 62.42 H new ATOM 0 HG22 VAL A 65 11.498 19.268 -0.037 1.00 62.42 H new ATOM 0 HG23 VAL A 65 12.870 18.388 0.676 1.00 62.42 H new ATOM 996 N ASP A 66 12.534 16.674 1.786 1.00 42.41 N ATOM 997 CA ASP A 66 12.996 16.917 3.148 1.00 42.44 C ATOM 998 C ASP A 66 14.204 17.849 3.154 1.00 41.15 C ATOM 999 O ASP A 66 15.213 17.579 2.502 1.00 71.14 O ATOM 1000 CB ASP A 66 13.352 15.596 3.832 1.00 51.53 C ATOM 1001 CG ASP A 66 12.990 15.591 5.304 1.00 71.02 C ATOM 1002 OD1 ASP A 66 12.191 16.455 5.722 1.00 51.20 O ATOM 1003 OD2 ASP A 66 13.505 14.722 6.038 1.00 72.13 O ATOM 0 H ASP A 66 13.257 16.342 1.148 1.00 42.41 H new ATOM 0 HA ASP A 66 12.187 17.396 3.700 1.00 42.44 H new ATOM 0 HB2 ASP A 66 12.833 14.779 3.330 1.00 51.53 H new ATOM 0 HB3 ASP A 66 14.420 15.410 3.723 1.00 51.53 H new ATOM 1008 N VAL A 67 14.094 18.948 3.893 1.00 30.03 N ATOM 1009 CA VAL A 67 15.177 19.920 3.984 1.00 12.12 C ATOM 1010 C VAL A 67 16.195 19.511 5.042 1.00 23.13 C ATOM 1011 O VAL A 67 16.816 20.360 5.683 1.00 75.22 O ATOM 1012 CB VAL A 67 14.643 21.326 4.318 1.00 33.30 C ATOM 1013 CG1 VAL A 67 13.565 21.737 3.326 1.00 21.05 C ATOM 1014 CG2 VAL A 67 14.112 21.369 5.743 1.00 21.11 C ATOM 0 H VAL A 67 13.266 19.188 4.438 1.00 30.03 H new ATOM 0 HA VAL A 67 15.662 19.946 3.008 1.00 12.12 H new ATOM 0 HB VAL A 67 15.466 22.037 4.239 1.00 33.30 H new ATOM 0 HG11 VAL A 67 13.200 22.733 3.578 1.00 21.05 H new ATOM 0 HG12 VAL A 67 13.982 21.747 2.319 1.00 21.05 H new ATOM 0 HG13 VAL A 67 12.740 21.026 3.370 1.00 21.05 H new ATOM 0 HG21 VAL A 67 13.739 22.369 5.962 1.00 21.11 H new ATOM 0 HG22 VAL A 67 13.302 20.648 5.851 1.00 21.11 H new ATOM 0 HG23 VAL A 67 14.914 21.121 6.438 1.00 21.11 H new ATOM 1024 N ASP A 68 16.363 18.205 5.220 1.00 1.21 N ATOM 1025 CA ASP A 68 17.308 17.682 6.200 1.00 41.12 C ATOM 1026 C ASP A 68 18.323 16.757 5.536 1.00 61.12 C ATOM 1027 O ASP A 68 19.362 16.443 6.115 1.00 3.01 O ATOM 1028 CB ASP A 68 16.565 16.934 7.308 1.00 63.55 C ATOM 1029 CG ASP A 68 17.429 16.707 8.533 1.00 72.32 C ATOM 1030 OD1 ASP A 68 18.424 15.960 8.427 1.00 25.04 O ATOM 1031 OD2 ASP A 68 17.109 17.277 9.597 1.00 65.41 O ATOM 0 H ASP A 68 15.857 17.489 4.698 1.00 1.21 H new ATOM 0 HA ASP A 68 17.843 18.524 6.638 1.00 41.12 H new ATOM 0 HB2 ASP A 68 15.678 17.500 7.592 1.00 63.55 H new ATOM 0 HB3 ASP A 68 16.221 15.973 6.926 1.00 63.55 H new ATOM 1036 N GLU A 69 18.013 16.323 4.318 1.00 40.41 N ATOM 1037 CA GLU A 69 18.898 15.432 3.577 1.00 51.43 C ATOM 1038 C GLU A 69 19.328 16.067 2.257 1.00 4.04 C ATOM 1039 O GLU A 69 20.455 15.871 1.799 1.00 31.13 O ATOM 1040 CB GLU A 69 18.204 14.095 3.309 1.00 23.15 C ATOM 1041 CG GLU A 69 16.834 14.237 2.669 1.00 13.33 C ATOM 1042 CD GLU A 69 15.903 13.094 3.024 1.00 53.03 C ATOM 1043 OE1 GLU A 69 16.101 11.982 2.491 1.00 74.21 O ATOM 1044 OE2 GLU A 69 14.977 13.311 3.833 1.00 52.03 O ATOM 0 H GLU A 69 17.156 16.574 3.824 1.00 40.41 H new ATOM 0 HA GLU A 69 19.787 15.257 4.184 1.00 51.43 H new ATOM 0 HB2 GLU A 69 18.838 13.490 2.660 1.00 23.15 H new ATOM 0 HB3 GLU A 69 18.102 13.554 4.249 1.00 23.15 H new ATOM 0 HG2 GLU A 69 16.385 15.178 2.986 1.00 13.33 H new ATOM 0 HG3 GLU A 69 16.946 14.286 1.586 1.00 13.33 H new ATOM 1051 N LEU A 70 18.424 16.828 1.651 1.00 70.10 N ATOM 1052 CA LEU A 70 18.709 17.492 0.384 1.00 74.15 C ATOM 1053 C LEU A 70 18.401 18.983 0.469 1.00 53.30 C ATOM 1054 O LEU A 70 18.149 19.636 -0.544 1.00 71.44 O ATOM 1055 CB LEU A 70 17.893 16.855 -0.743 1.00 20.21 C ATOM 1056 CG LEU A 70 16.442 17.321 -0.867 1.00 70.24 C ATOM 1057 CD1 LEU A 70 15.946 17.147 -2.294 1.00 60.15 C ATOM 1058 CD2 LEU A 70 15.552 16.560 0.105 1.00 43.01 C ATOM 0 H LEU A 70 17.487 17.001 2.016 1.00 70.10 H new ATOM 0 HA LEU A 70 19.771 17.371 0.170 1.00 74.15 H new ATOM 0 HB2 LEU A 70 18.399 17.053 -1.688 1.00 20.21 H new ATOM 0 HB3 LEU A 70 17.896 15.774 -0.600 1.00 20.21 H new ATOM 0 HG LEU A 70 16.398 18.381 -0.615 1.00 70.24 H new ATOM 0 HD11 LEU A 70 14.912 17.484 -2.363 1.00 60.15 H new ATOM 0 HD12 LEU A 70 16.566 17.737 -2.969 1.00 60.15 H new ATOM 0 HD13 LEU A 70 16.005 16.095 -2.574 1.00 60.15 H new ATOM 0 HD21 LEU A 70 14.523 16.905 0.003 1.00 43.01 H new ATOM 0 HD22 LEU A 70 15.601 15.494 -0.115 1.00 43.01 H new ATOM 0 HD23 LEU A 70 15.894 16.736 1.125 1.00 43.01 H new ATOM 1070 N LYS A 71 18.424 19.518 1.685 1.00 45.30 N ATOM 1071 CA LYS A 71 18.152 20.934 1.904 1.00 34.21 C ATOM 1072 C LYS A 71 18.638 21.771 0.725 1.00 74.51 C ATOM 1073 O LYS A 71 18.033 22.786 0.383 1.00 42.32 O ATOM 1074 CB LYS A 71 18.825 21.410 3.193 1.00 14.52 C ATOM 1075 CG LYS A 71 19.881 20.453 3.718 1.00 41.44 C ATOM 1076 CD LYS A 71 21.102 21.198 4.232 1.00 70.34 C ATOM 1077 CE LYS A 71 22.127 21.415 3.129 1.00 0.41 C ATOM 1078 NZ LYS A 71 22.911 22.664 3.339 1.00 55.30 N ATOM 0 H LYS A 71 18.628 18.992 2.535 1.00 45.30 H new ATOM 0 HA LYS A 71 17.073 21.061 1.996 1.00 34.21 H new ATOM 0 HB2 LYS A 71 19.284 22.382 3.015 1.00 14.52 H new ATOM 0 HB3 LYS A 71 18.063 21.553 3.959 1.00 14.52 H new ATOM 0 HG2 LYS A 71 19.458 19.848 4.520 1.00 41.44 H new ATOM 0 HG3 LYS A 71 20.179 19.768 2.925 1.00 41.44 H new ATOM 0 HD2 LYS A 71 20.797 22.161 4.641 1.00 70.34 H new ATOM 0 HD3 LYS A 71 21.557 20.635 5.047 1.00 70.34 H new ATOM 0 HE2 LYS A 71 22.805 20.563 3.090 1.00 0.41 H new ATOM 0 HE3 LYS A 71 21.619 21.462 2.166 1.00 0.41 H new ATOM 0 HZ1 LYS A 71 23.896 22.509 3.044 1.00 55.30 H new ATOM 0 HZ2 LYS A 71 22.497 23.433 2.774 1.00 55.30 H new ATOM 0 HZ3 LYS A 71 22.888 22.923 4.346 1.00 55.30 H new ATOM 1092 N GLU A 72 19.732 21.336 0.107 1.00 35.43 N ATOM 1093 CA GLU A 72 20.297 22.045 -1.034 1.00 51.50 C ATOM 1094 C GLU A 72 19.194 22.630 -1.912 1.00 10.12 C ATOM 1095 O GLU A 72 19.394 23.637 -2.591 1.00 51.11 O ATOM 1096 CB GLU A 72 21.178 21.107 -1.861 1.00 3.11 C ATOM 1097 CG GLU A 72 20.392 20.161 -2.752 1.00 74.11 C ATOM 1098 CD GLU A 72 21.167 18.905 -3.098 1.00 65.21 C ATOM 1099 OE1 GLU A 72 22.355 19.024 -3.467 1.00 12.44 O ATOM 1100 OE2 GLU A 72 20.588 17.803 -3.001 1.00 0.12 O ATOM 0 H GLU A 72 20.244 20.496 0.378 1.00 35.43 H new ATOM 0 HA GLU A 72 20.908 22.864 -0.654 1.00 51.50 H new ATOM 0 HB2 GLU A 72 21.848 21.704 -2.480 1.00 3.11 H new ATOM 0 HB3 GLU A 72 21.804 20.522 -1.187 1.00 3.11 H new ATOM 0 HG2 GLU A 72 19.464 19.884 -2.252 1.00 74.11 H new ATOM 0 HG3 GLU A 72 20.117 20.678 -3.671 1.00 74.11 H new ATOM 1107 N VAL A 73 18.029 21.990 -1.893 1.00 11.33 N ATOM 1108 CA VAL A 73 16.893 22.446 -2.686 1.00 24.13 C ATOM 1109 C VAL A 73 16.161 23.588 -1.991 1.00 11.22 C ATOM 1110 O VAL A 73 15.795 24.579 -2.622 1.00 14.10 O ATOM 1111 CB VAL A 73 15.899 21.300 -2.952 1.00 43.14 C ATOM 1112 CG1 VAL A 73 14.764 21.775 -3.847 1.00 1.25 C ATOM 1113 CG2 VAL A 73 16.614 20.109 -3.572 1.00 31.42 C ATOM 0 H VAL A 73 17.847 21.154 -1.337 1.00 11.33 H new ATOM 0 HA VAL A 73 17.292 22.800 -3.637 1.00 24.13 H new ATOM 0 HB VAL A 73 15.472 20.984 -2.000 1.00 43.14 H new ATOM 0 HG11 VAL A 73 14.072 20.952 -4.024 1.00 1.25 H new ATOM 0 HG12 VAL A 73 14.236 22.595 -3.361 1.00 1.25 H new ATOM 0 HG13 VAL A 73 15.170 22.119 -4.798 1.00 1.25 H new ATOM 0 HG21 VAL A 73 15.897 19.308 -3.753 1.00 31.42 H new ATOM 0 HG22 VAL A 73 17.069 20.409 -4.516 1.00 31.42 H new ATOM 0 HG23 VAL A 73 17.389 19.755 -2.892 1.00 31.42 H new ATOM 1123 N ALA A 74 15.951 23.443 -0.687 1.00 20.34 N ATOM 1124 CA ALA A 74 15.264 24.464 0.095 1.00 24.52 C ATOM 1125 C ALA A 74 16.131 25.708 0.254 1.00 13.32 C ATOM 1126 O ALA A 74 15.618 26.816 0.410 1.00 40.01 O ATOM 1127 CB ALA A 74 14.875 23.911 1.459 1.00 43.25 C ATOM 0 H ALA A 74 16.247 22.628 -0.149 1.00 20.34 H new ATOM 0 HA ALA A 74 14.359 24.750 -0.441 1.00 24.52 H new ATOM 0 HB1 ALA A 74 14.363 24.684 2.032 1.00 43.25 H new ATOM 0 HB2 ALA A 74 14.212 23.056 1.329 1.00 43.25 H new ATOM 0 HB3 ALA A 74 15.772 23.597 1.993 1.00 43.25 H new ATOM 1133 N GLU A 75 17.446 25.518 0.215 1.00 72.44 N ATOM 1134 CA GLU A 75 18.382 26.626 0.356 1.00 3.31 C ATOM 1135 C GLU A 75 18.354 27.523 -0.878 1.00 65.04 C ATOM 1136 O GLU A 75 18.691 28.705 -0.809 1.00 53.41 O ATOM 1137 CB GLU A 75 19.800 26.099 0.585 1.00 4.00 C ATOM 1138 CG GLU A 75 19.889 25.043 1.674 1.00 13.10 C ATOM 1139 CD GLU A 75 20.813 25.448 2.806 1.00 64.04 C ATOM 1140 OE1 GLU A 75 22.042 25.479 2.586 1.00 22.12 O ATOM 1141 OE2 GLU A 75 20.307 25.734 3.911 1.00 42.31 O ATOM 0 H GLU A 75 17.887 24.607 0.087 1.00 72.44 H new ATOM 0 HA GLU A 75 18.078 27.217 1.220 1.00 3.31 H new ATOM 0 HB2 GLU A 75 20.178 25.680 -0.348 1.00 4.00 H new ATOM 0 HB3 GLU A 75 20.451 26.934 0.846 1.00 4.00 H new ATOM 0 HG2 GLU A 75 18.893 24.854 2.073 1.00 13.10 H new ATOM 0 HG3 GLU A 75 20.241 24.107 1.240 1.00 13.10 H new ATOM 1148 N LYS A 76 17.952 26.952 -2.008 1.00 73.43 N ATOM 1149 CA LYS A 76 17.878 27.697 -3.259 1.00 64.03 C ATOM 1150 C LYS A 76 16.610 28.543 -3.315 1.00 62.33 C ATOM 1151 O LYS A 76 16.602 29.628 -3.896 1.00 13.41 O ATOM 1152 CB LYS A 76 17.918 26.738 -4.451 1.00 74.03 C ATOM 1153 CG LYS A 76 16.542 26.313 -4.936 1.00 2.14 C ATOM 1154 CD LYS A 76 16.595 24.982 -5.666 1.00 31.41 C ATOM 1155 CE LYS A 76 16.346 25.153 -7.157 1.00 0.34 C ATOM 1156 NZ LYS A 76 17.110 26.302 -7.718 1.00 33.03 N ATOM 0 H LYS A 76 17.672 25.974 -2.083 1.00 73.43 H new ATOM 0 HA LYS A 76 18.740 28.363 -3.308 1.00 64.03 H new ATOM 0 HB2 LYS A 76 18.452 27.215 -5.273 1.00 74.03 H new ATOM 0 HB3 LYS A 76 18.487 25.850 -4.174 1.00 74.03 H new ATOM 0 HG2 LYS A 76 15.863 26.236 -4.086 1.00 2.14 H new ATOM 0 HG3 LYS A 76 16.137 27.077 -5.600 1.00 2.14 H new ATOM 0 HD2 LYS A 76 17.569 24.519 -5.510 1.00 31.41 H new ATOM 0 HD3 LYS A 76 15.850 24.306 -5.247 1.00 31.41 H new ATOM 0 HE2 LYS A 76 16.628 24.239 -7.680 1.00 0.34 H new ATOM 0 HE3 LYS A 76 15.281 25.304 -7.332 1.00 0.34 H new ATOM 0 HZ1 LYS A 76 17.282 26.143 -8.731 1.00 33.03 H new ATOM 0 HZ2 LYS A 76 16.562 27.177 -7.593 1.00 33.03 H new ATOM 0 HZ3 LYS A 76 18.020 26.389 -7.222 1.00 33.03 H new ATOM 1170 N TYR A 77 15.542 28.039 -2.708 1.00 13.23 N ATOM 1171 CA TYR A 77 14.268 28.748 -2.689 1.00 52.34 C ATOM 1172 C TYR A 77 14.142 29.611 -1.437 1.00 63.13 C ATOM 1173 O TYR A 77 13.288 30.493 -1.361 1.00 31.54 O ATOM 1174 CB TYR A 77 13.106 27.755 -2.757 1.00 4.24 C ATOM 1175 CG TYR A 77 13.112 26.900 -4.004 1.00 1.33 C ATOM 1176 CD1 TYR A 77 13.525 27.420 -5.224 1.00 44.52 C ATOM 1177 CD2 TYR A 77 12.703 25.573 -3.962 1.00 45.11 C ATOM 1178 CE1 TYR A 77 13.532 26.643 -6.366 1.00 53.55 C ATOM 1179 CE2 TYR A 77 12.708 24.788 -5.099 1.00 11.31 C ATOM 1180 CZ TYR A 77 13.123 25.328 -6.299 1.00 14.04 C ATOM 1181 OH TYR A 77 13.127 24.550 -7.434 1.00 21.14 O ATOM 0 H TYR A 77 15.533 27.142 -2.222 1.00 13.23 H new ATOM 0 HA TYR A 77 14.232 29.400 -3.562 1.00 52.34 H new ATOM 0 HB2 TYR A 77 13.142 27.106 -1.882 1.00 4.24 H new ATOM 0 HB3 TYR A 77 12.166 28.305 -2.708 1.00 4.24 H new ATOM 0 HD1 TYR A 77 13.846 28.450 -5.281 1.00 44.52 H new ATOM 0 HD2 TYR A 77 12.376 25.148 -3.025 1.00 45.11 H new ATOM 0 HE1 TYR A 77 13.856 27.063 -7.307 1.00 53.55 H new ATOM 0 HE2 TYR A 77 12.389 23.757 -5.049 1.00 11.31 H new ATOM 0 HH TYR A 77 12.811 23.649 -7.214 1.00 21.14 H new ATOM 1191 N ASN A 78 15.002 29.349 -0.458 1.00 12.11 N ATOM 1192 CA ASN A 78 14.989 30.101 0.792 1.00 75.31 C ATOM 1193 C ASN A 78 13.729 29.796 1.597 1.00 73.14 C ATOM 1194 O ASN A 78 12.850 30.646 1.741 1.00 3.21 O ATOM 1195 CB ASN A 78 15.076 31.602 0.509 1.00 31.13 C ATOM 1196 CG ASN A 78 15.349 32.411 1.762 1.00 13.25 C ATOM 1197 OD1 ASN A 78 14.584 33.310 2.113 1.00 30.01 O ATOM 1198 ND2 ASN A 78 16.444 32.095 2.444 1.00 13.00 N ATOM 0 H ASN A 78 15.716 28.622 -0.506 1.00 12.11 H new ATOM 0 HA ASN A 78 15.856 29.798 1.379 1.00 75.31 H new ATOM 0 HB2 ASN A 78 15.866 31.787 -0.219 1.00 31.13 H new ATOM 0 HB3 ASN A 78 14.142 31.939 0.058 1.00 31.13 H new ATOM 0 HD21 ASN A 78 16.679 32.605 3.296 1.00 13.00 H new ATOM 0 HD22 ASN A 78 17.050 31.342 2.116 1.00 13.00 H new ATOM 1246 N MET A 82 10.660 24.348 7.333 1.00 52.51 N ATOM 1247 CA MET A 82 9.247 24.143 7.628 1.00 34.30 C ATOM 1248 C MET A 82 8.537 23.478 6.453 1.00 51.13 C ATOM 1249 O MET A 82 9.061 23.405 5.341 1.00 51.21 O ATOM 1250 CB MET A 82 8.573 25.476 7.958 1.00 40.12 C ATOM 1251 CG MET A 82 7.751 26.042 6.811 1.00 64.01 C ATOM 1252 SD MET A 82 8.643 27.295 5.869 1.00 23.35 S ATOM 1253 CE MET A 82 10.094 26.372 5.367 1.00 31.12 C ATOM 0 HA MET A 82 9.175 23.484 8.493 1.00 34.30 H new ATOM 0 HB2 MET A 82 7.927 25.342 8.826 1.00 40.12 H new ATOM 0 HB3 MET A 82 9.337 26.201 8.239 1.00 40.12 H new ATOM 0 HG2 MET A 82 7.459 25.231 6.144 1.00 64.01 H new ATOM 0 HG3 MET A 82 6.833 26.476 7.207 1.00 64.01 H new ATOM 0 HE1 MET A 82 10.548 26.852 4.500 1.00 31.12 H new ATOM 0 HE2 MET A 82 10.812 26.349 6.187 1.00 31.12 H new ATOM 0 HE3 MET A 82 9.806 25.353 5.108 1.00 31.12 H new ATOM 1263 N PRO A 83 7.316 22.981 6.701 1.00 2.15 N ATOM 1264 CA PRO A 83 6.509 22.314 5.676 1.00 51.03 C ATOM 1265 C PRO A 83 6.004 23.284 4.613 1.00 5.51 C ATOM 1266 O PRO A 83 4.879 23.162 4.129 1.00 14.12 O ATOM 1267 CB PRO A 83 5.336 21.733 6.470 1.00 40.35 C ATOM 1268 CG PRO A 83 5.227 22.602 7.675 1.00 51.45 C ATOM 1269 CD PRO A 83 6.630 23.033 8.003 1.00 32.42 C ATOM 0 HA PRO A 83 7.083 21.566 5.129 1.00 51.03 H new ATOM 0 HB2 PRO A 83 4.416 21.749 5.886 1.00 40.35 H new ATOM 0 HB3 PRO A 83 5.520 20.695 6.746 1.00 40.35 H new ATOM 0 HG2 PRO A 83 4.590 23.464 7.478 1.00 51.45 H new ATOM 0 HG3 PRO A 83 4.781 22.059 8.508 1.00 51.45 H new ATOM 0 HD2 PRO A 83 6.653 24.036 8.430 1.00 32.42 H new ATOM 0 HD3 PRO A 83 7.096 22.367 8.729 1.00 32.42 H new ATOM 1277 N THR A 84 6.845 24.250 4.253 1.00 72.32 N ATOM 1278 CA THR A 84 6.484 25.242 3.248 1.00 72.41 C ATOM 1279 C THR A 84 6.211 24.584 1.900 1.00 41.42 C ATOM 1280 O THR A 84 7.077 23.913 1.339 1.00 62.04 O ATOM 1281 CB THR A 84 7.593 26.297 3.077 1.00 55.12 C ATOM 1282 OG1 THR A 84 7.148 27.561 3.582 1.00 21.15 O ATOM 1283 CG2 THR A 84 7.983 26.440 1.613 1.00 32.44 C ATOM 0 H THR A 84 7.780 24.366 4.643 1.00 72.32 H new ATOM 0 HA THR A 84 5.577 25.733 3.600 1.00 72.41 H new ATOM 0 HB THR A 84 8.467 25.968 3.639 1.00 55.12 H new ATOM 0 HG1 THR A 84 7.584 27.742 4.441 1.00 21.15 H new ATOM 0 HG21 THR A 84 8.768 27.191 1.517 1.00 32.44 H new ATOM 0 HG22 THR A 84 8.348 25.484 1.239 1.00 32.44 H new ATOM 0 HG23 THR A 84 7.113 26.748 1.033 1.00 32.44 H new ATOM 1291 N PHE A 85 5.002 24.782 1.384 1.00 5.30 N ATOM 1292 CA PHE A 85 4.616 24.208 0.101 1.00 54.24 C ATOM 1293 C PHE A 85 5.206 25.011 -1.055 1.00 0.43 C ATOM 1294 O PHE A 85 4.520 25.309 -2.033 1.00 41.15 O ATOM 1295 CB PHE A 85 3.091 24.162 -0.023 1.00 22.55 C ATOM 1296 CG PHE A 85 2.526 22.772 0.052 1.00 30.03 C ATOM 1297 CD1 PHE A 85 2.919 21.800 -0.854 1.00 11.31 C ATOM 1298 CD2 PHE A 85 1.601 22.438 1.028 1.00 22.45 C ATOM 1299 CE1 PHE A 85 2.401 20.520 -0.788 1.00 0.43 C ATOM 1300 CE2 PHE A 85 1.080 21.159 1.100 1.00 43.52 C ATOM 1301 CZ PHE A 85 1.480 20.200 0.190 1.00 53.10 C ATOM 0 H PHE A 85 4.273 25.335 1.835 1.00 5.30 H new ATOM 0 HA PHE A 85 5.009 23.193 0.053 1.00 54.24 H new ATOM 0 HB2 PHE A 85 2.651 24.768 0.769 1.00 22.55 H new ATOM 0 HB3 PHE A 85 2.797 24.615 -0.970 1.00 22.55 H new ATOM 0 HD1 PHE A 85 3.639 22.045 -1.621 1.00 11.31 H new ATOM 0 HD2 PHE A 85 1.283 23.185 1.741 1.00 22.45 H new ATOM 0 HE1 PHE A 85 2.716 19.772 -1.500 1.00 0.43 H new ATOM 0 HE2 PHE A 85 0.361 20.910 1.867 1.00 43.52 H new ATOM 0 HZ PHE A 85 1.073 19.201 0.243 1.00 53.10 H new ATOM 1311 N LEU A 86 6.482 25.360 -0.934 1.00 22.35 N ATOM 1312 CA LEU A 86 7.167 26.129 -1.967 1.00 13.12 C ATOM 1313 C LEU A 86 6.641 25.769 -3.352 1.00 73.24 C ATOM 1314 O LEU A 86 6.347 24.607 -3.634 1.00 34.25 O ATOM 1315 CB LEU A 86 8.675 25.881 -1.901 1.00 34.43 C ATOM 1316 CG LEU A 86 9.567 27.092 -2.173 1.00 41.00 C ATOM 1317 CD1 LEU A 86 8.932 28.000 -3.214 1.00 75.15 C ATOM 1318 CD2 LEU A 86 9.833 27.859 -0.886 1.00 22.53 C ATOM 0 H LEU A 86 7.063 25.123 -0.130 1.00 22.35 H new ATOM 0 HA LEU A 86 6.971 27.186 -1.788 1.00 13.12 H new ATOM 0 HB2 LEU A 86 8.916 25.492 -0.912 1.00 34.43 H new ATOM 0 HB3 LEU A 86 8.926 25.101 -2.620 1.00 34.43 H new ATOM 0 HG LEU A 86 10.520 26.736 -2.564 1.00 41.00 H new ATOM 0 HD11 LEU A 86 9.581 28.857 -3.394 1.00 75.15 H new ATOM 0 HD12 LEU A 86 8.794 27.447 -4.143 1.00 75.15 H new ATOM 0 HD13 LEU A 86 7.965 28.348 -2.852 1.00 75.15 H new ATOM 0 HD21 LEU A 86 10.470 28.718 -1.099 1.00 22.53 H new ATOM 0 HD22 LEU A 86 8.888 28.203 -0.466 1.00 22.53 H new ATOM 0 HD23 LEU A 86 10.332 27.206 -0.170 1.00 22.53 H new ATOM 1330 N PHE A 87 6.526 26.773 -4.216 1.00 25.33 N ATOM 1331 CA PHE A 87 6.037 26.562 -5.573 1.00 62.32 C ATOM 1332 C PHE A 87 7.087 26.975 -6.600 1.00 42.32 C ATOM 1333 O PHE A 87 7.906 27.859 -6.345 1.00 30.21 O ATOM 1334 CB PHE A 87 4.746 27.351 -5.801 1.00 21.50 C ATOM 1335 CG PHE A 87 3.569 26.805 -5.044 1.00 51.21 C ATOM 1336 CD1 PHE A 87 3.510 26.904 -3.663 1.00 50.44 C ATOM 1337 CD2 PHE A 87 2.522 26.193 -5.713 1.00 74.24 C ATOM 1338 CE1 PHE A 87 2.428 26.404 -2.964 1.00 30.12 C ATOM 1339 CE2 PHE A 87 1.437 25.691 -5.019 1.00 71.03 C ATOM 1340 CZ PHE A 87 1.391 25.796 -3.643 1.00 34.52 C ATOM 0 H PHE A 87 6.765 27.741 -4.000 1.00 25.33 H new ATOM 0 HA PHE A 87 5.832 25.499 -5.697 1.00 62.32 H new ATOM 0 HB2 PHE A 87 4.907 28.388 -5.508 1.00 21.50 H new ATOM 0 HB3 PHE A 87 4.514 27.353 -6.866 1.00 21.50 H new ATOM 0 HD1 PHE A 87 4.319 27.377 -3.127 1.00 50.44 H new ATOM 0 HD2 PHE A 87 2.554 26.107 -6.789 1.00 74.24 H new ATOM 0 HE1 PHE A 87 2.394 26.489 -1.888 1.00 30.12 H new ATOM 0 HE2 PHE A 87 0.626 25.217 -5.552 1.00 71.03 H new ATOM 0 HZ PHE A 87 0.545 25.403 -3.099 1.00 34.52 H new ATOM 1350 N ILE A 88 7.057 26.330 -7.761 1.00 73.13 N ATOM 1351 CA ILE A 88 8.005 26.631 -8.827 1.00 33.41 C ATOM 1352 C ILE A 88 7.312 26.667 -10.185 1.00 30.21 C ATOM 1353 O ILE A 88 7.408 25.722 -10.969 1.00 12.41 O ATOM 1354 CB ILE A 88 9.146 25.598 -8.873 1.00 22.31 C ATOM 1355 CG1 ILE A 88 9.646 25.295 -7.459 1.00 24.30 C ATOM 1356 CG2 ILE A 88 10.284 26.105 -9.746 1.00 63.50 C ATOM 1357 CD1 ILE A 88 10.526 26.383 -6.883 1.00 74.41 C ATOM 0 H ILE A 88 6.387 25.596 -7.988 1.00 73.13 H new ATOM 0 HA ILE A 88 8.424 27.614 -8.609 1.00 33.41 H new ATOM 0 HB ILE A 88 8.764 24.675 -9.308 1.00 22.31 H new ATOM 0 HG12 ILE A 88 8.788 25.147 -6.803 1.00 24.30 H new ATOM 0 HG13 ILE A 88 10.202 24.358 -7.472 1.00 24.30 H new ATOM 0 HG21 ILE A 88 11.083 25.364 -9.769 1.00 63.50 H new ATOM 0 HG22 ILE A 88 9.918 26.275 -10.758 1.00 63.50 H new ATOM 0 HG23 ILE A 88 10.668 27.040 -9.337 1.00 63.50 H new ATOM 0 HD11 ILE A 88 10.843 26.101 -5.879 1.00 74.41 H new ATOM 0 HD12 ILE A 88 11.403 26.516 -7.517 1.00 74.41 H new ATOM 0 HD13 ILE A 88 9.967 27.317 -6.837 1.00 74.41 H new ATOM 1369 N LYS A 89 6.615 27.764 -10.458 1.00 52.51 N ATOM 1370 CA LYS A 89 5.908 27.927 -11.723 1.00 14.33 C ATOM 1371 C LYS A 89 6.876 28.288 -12.845 1.00 13.32 C ATOM 1372 O LYS A 89 7.580 29.295 -12.770 1.00 12.51 O ATOM 1373 CB LYS A 89 4.833 29.009 -11.594 1.00 50.21 C ATOM 1374 CG LYS A 89 4.374 29.572 -12.928 1.00 41.30 C ATOM 1375 CD LYS A 89 2.873 29.809 -12.947 1.00 3.34 C ATOM 1376 CE LYS A 89 2.411 30.555 -11.704 1.00 63.00 C ATOM 1377 NZ LYS A 89 1.246 31.438 -11.988 1.00 63.11 N ATOM 0 H LYS A 89 6.524 28.554 -9.820 1.00 52.51 H new ATOM 0 HA LYS A 89 5.432 26.978 -11.970 1.00 14.33 H new ATOM 0 HB2 LYS A 89 3.973 28.594 -11.069 1.00 50.21 H new ATOM 0 HB3 LYS A 89 5.220 29.822 -10.980 1.00 50.21 H new ATOM 0 HG2 LYS A 89 4.894 30.509 -13.126 1.00 41.30 H new ATOM 0 HG3 LYS A 89 4.644 28.882 -13.727 1.00 41.30 H new ATOM 0 HD2 LYS A 89 2.605 30.380 -13.836 1.00 3.34 H new ATOM 0 HD3 LYS A 89 2.353 28.853 -13.013 1.00 3.34 H new ATOM 0 HE2 LYS A 89 2.142 29.837 -10.929 1.00 63.00 H new ATOM 0 HE3 LYS A 89 3.234 31.154 -11.313 1.00 63.00 H new ATOM 0 HZ1 LYS A 89 0.961 31.928 -11.116 1.00 63.11 H new ATOM 0 HZ2 LYS A 89 1.510 32.139 -12.709 1.00 63.11 H new ATOM 0 HZ3 LYS A 89 0.452 30.864 -12.337 1.00 63.11 H new ATOM 1391 N ASP A 90 6.904 27.461 -13.884 1.00 5.30 N ATOM 1392 CA ASP A 90 7.784 27.695 -15.023 1.00 44.12 C ATOM 1393 C ASP A 90 9.188 27.168 -14.743 1.00 2.14 C ATOM 1394 O ASP A 90 9.988 26.985 -15.659 1.00 61.11 O ATOM 1395 CB ASP A 90 7.843 29.188 -15.352 1.00 33.31 C ATOM 1396 CG ASP A 90 8.152 29.447 -16.813 1.00 44.11 C ATOM 1397 OD1 ASP A 90 9.347 29.435 -17.178 1.00 11.30 O ATOM 1398 OD2 ASP A 90 7.200 29.661 -17.592 1.00 63.10 O ATOM 0 H ASP A 90 6.328 26.623 -13.961 1.00 5.30 H new ATOM 0 HA ASP A 90 7.378 27.158 -15.880 1.00 44.12 H new ATOM 0 HB2 ASP A 90 6.890 29.651 -15.098 1.00 33.31 H new ATOM 0 HB3 ASP A 90 8.604 29.664 -14.733 1.00 33.31 H new ATOM 1403 N GLY A 91 9.481 26.927 -13.468 1.00 51.21 N ATOM 1404 CA GLY A 91 10.789 26.425 -13.089 1.00 53.04 C ATOM 1405 C GLY A 91 11.622 27.465 -12.367 1.00 63.13 C ATOM 1406 O GLY A 91 12.822 27.588 -12.612 1.00 60.31 O ATOM 0 H GLY A 91 8.836 27.071 -12.691 1.00 51.21 H new ATOM 0 HA2 GLY A 91 10.668 25.552 -12.448 1.00 53.04 H new ATOM 0 HA3 GLY A 91 11.320 26.094 -13.981 1.00 53.04 H new ATOM 1410 N ALA A 92 10.985 28.217 -11.476 1.00 20.12 N ATOM 1411 CA ALA A 92 11.676 29.251 -10.716 1.00 13.23 C ATOM 1412 C ALA A 92 11.144 29.331 -9.289 1.00 3.13 C ATOM 1413 O ALA A 92 11.686 28.704 -8.379 1.00 45.13 O ATOM 1414 CB ALA A 92 11.536 30.598 -11.409 1.00 54.24 C ATOM 0 H ALA A 92 9.991 28.130 -11.263 1.00 20.12 H new ATOM 0 HA ALA A 92 12.733 28.987 -10.668 1.00 13.23 H new ATOM 0 HB1 ALA A 92 12.057 31.361 -10.830 1.00 54.24 H new ATOM 0 HB2 ALA A 92 11.970 30.540 -12.407 1.00 54.24 H new ATOM 0 HB3 ALA A 92 10.481 30.859 -11.487 1.00 54.24 H new ATOM 1420 N GLU A 93 10.081 30.107 -9.100 1.00 62.25 N ATOM 1421 CA GLU A 93 9.478 30.269 -7.783 1.00 24.04 C ATOM 1422 C GLU A 93 8.256 31.179 -7.852 1.00 13.31 C ATOM 1423 O GLU A 93 8.381 32.393 -8.011 1.00 13.25 O ATOM 1424 CB GLU A 93 10.499 30.842 -6.797 1.00 63.14 C ATOM 1425 CG GLU A 93 10.223 30.471 -5.350 1.00 52.30 C ATOM 1426 CD GLU A 93 11.457 30.576 -4.475 1.00 72.20 C ATOM 1427 OE1 GLU A 93 12.547 30.178 -4.936 1.00 0.21 O ATOM 1428 OE2 GLU A 93 11.332 31.056 -3.329 1.00 34.12 O ATOM 0 H GLU A 93 9.620 30.633 -9.843 1.00 62.25 H new ATOM 0 HA GLU A 93 9.159 29.287 -7.435 1.00 24.04 H new ATOM 0 HB2 GLU A 93 11.493 30.489 -7.070 1.00 63.14 H new ATOM 0 HB3 GLU A 93 10.510 31.928 -6.889 1.00 63.14 H new ATOM 0 HG2 GLU A 93 9.445 31.123 -4.954 1.00 52.30 H new ATOM 0 HG3 GLU A 93 9.838 29.452 -5.307 1.00 52.30 H new ATOM 1435 N ALA A 94 7.074 30.583 -7.732 1.00 51.23 N ATOM 1436 CA ALA A 94 5.829 31.339 -7.780 1.00 14.22 C ATOM 1437 C ALA A 94 5.424 31.818 -6.390 1.00 33.13 C ATOM 1438 O ALA A 94 4.812 32.876 -6.241 1.00 21.11 O ATOM 1439 CB ALA A 94 4.721 30.494 -8.393 1.00 4.54 C ATOM 0 H ALA A 94 6.953 29.579 -7.601 1.00 51.23 H new ATOM 0 HA ALA A 94 5.990 32.217 -8.406 1.00 14.22 H new ATOM 0 HB1 ALA A 94 3.797 31.071 -8.422 1.00 4.54 H new ATOM 0 HB2 ALA A 94 5.001 30.206 -9.406 1.00 4.54 H new ATOM 0 HB3 ALA A 94 4.570 29.599 -7.790 1.00 4.54 H new ATOM 1445 N ASP A 95 5.768 31.032 -5.375 1.00 52.32 N ATOM 1446 CA ASP A 95 5.440 31.376 -3.997 1.00 2.55 C ATOM 1447 C ASP A 95 5.427 30.132 -3.114 1.00 41.12 C ATOM 1448 O ASP A 95 5.694 29.024 -3.580 1.00 44.33 O ATOM 1449 CB ASP A 95 4.082 32.077 -3.932 1.00 70.21 C ATOM 1450 CG ASP A 95 4.212 33.585 -3.852 1.00 54.21 C ATOM 1451 OD1 ASP A 95 5.131 34.065 -3.157 1.00 42.23 O ATOM 1452 OD2 ASP A 95 3.393 34.286 -4.484 1.00 33.34 O ATOM 0 H ASP A 95 6.274 30.153 -5.481 1.00 52.32 H new ATOM 0 HA ASP A 95 6.208 32.055 -3.626 1.00 2.55 H new ATOM 0 HB2 ASP A 95 3.497 31.812 -4.813 1.00 70.21 H new ATOM 0 HB3 ASP A 95 3.531 31.716 -3.063 1.00 70.21 H new ATOM 1457 N LYS A 96 5.115 30.322 -1.837 1.00 4.13 N ATOM 1458 CA LYS A 96 5.067 29.216 -0.888 1.00 10.23 C ATOM 1459 C LYS A 96 3.812 29.294 -0.025 1.00 13.33 C ATOM 1460 O LYS A 96 3.069 30.275 -0.079 1.00 30.41 O ATOM 1461 CB LYS A 96 6.312 29.226 0.002 1.00 30.22 C ATOM 1462 CG LYS A 96 6.416 30.454 0.889 1.00 43.50 C ATOM 1463 CD LYS A 96 7.307 31.517 0.267 1.00 13.11 C ATOM 1464 CE LYS A 96 8.761 31.331 0.670 1.00 4.12 C ATOM 1465 NZ LYS A 96 9.611 32.469 0.223 1.00 51.33 N ATOM 0 H LYS A 96 4.891 31.232 -1.435 1.00 4.13 H new ATOM 0 HA LYS A 96 5.040 28.285 -1.454 1.00 10.23 H new ATOM 0 HB2 LYS A 96 6.307 28.335 0.629 1.00 30.22 H new ATOM 0 HB3 LYS A 96 7.199 29.167 -0.628 1.00 30.22 H new ATOM 0 HG2 LYS A 96 5.421 30.866 1.060 1.00 43.50 H new ATOM 0 HG3 LYS A 96 6.814 30.168 1.863 1.00 43.50 H new ATOM 0 HD2 LYS A 96 7.221 31.475 -0.819 1.00 13.11 H new ATOM 0 HD3 LYS A 96 6.966 32.505 0.576 1.00 13.11 H new ATOM 0 HE2 LYS A 96 8.828 31.232 1.753 1.00 4.12 H new ATOM 0 HE3 LYS A 96 9.141 30.404 0.241 1.00 4.12 H new ATOM 0 HZ1 LYS A 96 10.595 32.304 0.517 1.00 51.33 H new ATOM 0 HZ2 LYS A 96 9.568 32.548 -0.813 1.00 51.33 H new ATOM 0 HZ3 LYS A 96 9.265 33.351 0.652 1.00 51.33 H new ATOM 1479 N VAL A 97 3.581 28.256 0.772 1.00 24.25 N ATOM 1480 CA VAL A 97 2.417 28.208 1.649 1.00 4.42 C ATOM 1481 C VAL A 97 2.762 27.561 2.986 1.00 42.32 C ATOM 1482 O VAL A 97 3.271 28.219 3.893 1.00 2.15 O ATOM 1483 CB VAL A 97 1.257 27.432 1.000 1.00 73.24 C ATOM 1484 CG1 VAL A 97 0.198 27.088 2.036 1.00 31.21 C ATOM 1485 CG2 VAL A 97 0.654 28.233 -0.144 1.00 41.43 C ATOM 0 H VAL A 97 4.185 27.436 0.829 1.00 24.25 H new ATOM 0 HA VAL A 97 2.105 29.239 1.817 1.00 4.42 H new ATOM 0 HB VAL A 97 1.650 26.500 0.594 1.00 73.24 H new ATOM 0 HG11 VAL A 97 -0.614 26.540 1.558 1.00 31.21 H new ATOM 0 HG12 VAL A 97 0.641 26.472 2.818 1.00 31.21 H new ATOM 0 HG13 VAL A 97 -0.193 28.006 2.475 1.00 31.21 H new ATOM 0 HG21 VAL A 97 -0.165 27.669 -0.591 1.00 41.43 H new ATOM 0 HG22 VAL A 97 0.276 29.182 0.236 1.00 41.43 H new ATOM 0 HG23 VAL A 97 1.418 28.423 -0.898 1.00 41.43 H new ATOM 1495 N VAL A 98 2.482 26.267 3.100 1.00 31.13 N ATOM 1496 CA VAL A 98 2.764 25.529 4.326 1.00 53.12 C ATOM 1497 C VAL A 98 1.997 24.212 4.363 1.00 64.32 C ATOM 1498 O VAL A 98 0.859 24.131 3.904 1.00 34.24 O ATOM 1499 CB VAL A 98 2.402 26.356 5.574 1.00 24.33 C ATOM 1500 CG1 VAL A 98 1.752 25.474 6.629 1.00 72.40 C ATOM 1501 CG2 VAL A 98 3.638 27.045 6.132 1.00 3.04 C ATOM 0 H VAL A 98 2.060 25.708 2.359 1.00 31.13 H new ATOM 0 HA VAL A 98 3.834 25.323 4.333 1.00 53.12 H new ATOM 0 HB VAL A 98 1.685 27.124 5.285 1.00 24.33 H new ATOM 0 HG11 VAL A 98 1.503 26.076 7.503 1.00 72.40 H new ATOM 0 HG12 VAL A 98 0.843 25.031 6.223 1.00 72.40 H new ATOM 0 HG13 VAL A 98 2.444 24.683 6.918 1.00 72.40 H new ATOM 0 HG21 VAL A 98 3.365 27.625 7.013 1.00 3.04 H new ATOM 0 HG22 VAL A 98 4.380 26.295 6.407 1.00 3.04 H new ATOM 0 HG23 VAL A 98 4.057 27.709 5.376 1.00 3.04 H new ATOM 1511 N GLY A 99 2.631 23.180 4.913 1.00 72.14 N ATOM 1512 CA GLY A 99 1.993 21.879 5.000 1.00 44.11 C ATOM 1513 C GLY A 99 1.277 21.672 6.319 1.00 33.04 C ATOM 1514 O GLY A 99 1.450 20.644 6.973 1.00 24.00 O ATOM 0 H GLY A 99 3.574 23.222 5.299 1.00 72.14 H new ATOM 0 HA2 GLY A 99 1.280 21.772 4.182 1.00 44.11 H new ATOM 0 HA3 GLY A 99 2.744 21.100 4.872 1.00 44.11 H new ATOM 1518 N ALA A 100 0.470 22.652 6.713 1.00 72.01 N ATOM 1519 CA ALA A 100 -0.276 22.572 7.963 1.00 42.11 C ATOM 1520 C ALA A 100 -1.515 23.460 7.920 1.00 31.35 C ATOM 1521 O ALA A 100 -2.114 23.755 8.955 1.00 75.44 O ATOM 1522 CB ALA A 100 0.614 22.961 9.134 1.00 23.31 C ATOM 0 H ALA A 100 0.316 23.511 6.184 1.00 72.01 H new ATOM 0 HA ALA A 100 -0.604 21.541 8.097 1.00 42.11 H new ATOM 0 HB1 ALA A 100 0.044 22.897 10.061 1.00 23.31 H new ATOM 0 HB2 ALA A 100 1.466 22.283 9.184 1.00 23.31 H new ATOM 0 HB3 ALA A 100 0.970 23.982 8.997 1.00 23.31 H new ATOM 1528 N ARG A 101 -1.893 23.883 6.719 1.00 74.22 N ATOM 1529 CA ARG A 101 -3.060 24.739 6.543 1.00 75.44 C ATOM 1530 C ARG A 101 -4.011 24.154 5.502 1.00 33.23 C ATOM 1531 O ARG A 101 -3.666 24.035 4.327 1.00 63.34 O ATOM 1532 CB ARG A 101 -2.629 26.145 6.122 1.00 75.21 C ATOM 1533 CG ARG A 101 -2.403 27.088 7.292 1.00 25.11 C ATOM 1534 CD ARG A 101 -1.111 26.763 8.027 1.00 14.10 C ATOM 1535 NE ARG A 101 -0.958 27.559 9.242 1.00 41.44 N ATOM 1536 CZ ARG A 101 -0.564 28.828 9.244 1.00 54.13 C ATOM 1537 NH1 ARG A 101 -0.287 29.441 8.102 1.00 43.54 N ATOM 1538 NH2 ARG A 101 -0.449 29.486 10.390 1.00 5.22 N ATOM 0 H ARG A 101 -1.408 23.647 5.853 1.00 74.22 H new ATOM 0 HA ARG A 101 -3.584 24.797 7.497 1.00 75.44 H new ATOM 0 HB2 ARG A 101 -1.710 26.075 5.540 1.00 75.21 H new ATOM 0 HB3 ARG A 101 -3.390 26.568 5.467 1.00 75.21 H new ATOM 0 HG2 ARG A 101 -2.369 28.116 6.931 1.00 25.11 H new ATOM 0 HG3 ARG A 101 -3.243 27.020 7.983 1.00 25.11 H new ATOM 0 HD2 ARG A 101 -1.096 25.704 8.283 1.00 14.10 H new ATOM 0 HD3 ARG A 101 -0.263 26.943 7.366 1.00 14.10 H new ATOM 0 HE ARG A 101 -1.165 27.117 10.138 1.00 41.44 H new ATOM 0 HH11 ARG A 101 -0.376 28.939 7.219 1.00 43.54 H new ATOM 0 HH12 ARG A 101 0.015 30.415 8.106 1.00 43.54 H new ATOM 0 HH21 ARG A 101 -0.663 29.018 11.271 1.00 5.22 H new ATOM 0 HH22 ARG A 101 -0.146 30.460 10.391 1.00 5.22 H new ATOM 1552 N LYS A 102 -5.211 23.790 5.943 1.00 62.20 N ATOM 1553 CA LYS A 102 -6.213 23.218 5.051 1.00 21.05 C ATOM 1554 C LYS A 102 -7.081 24.311 4.437 1.00 75.01 C ATOM 1555 O LYS A 102 -8.113 24.028 3.827 1.00 23.10 O ATOM 1556 CB LYS A 102 -7.091 22.221 5.811 1.00 61.44 C ATOM 1557 CG LYS A 102 -7.549 21.046 4.963 1.00 12.14 C ATOM 1558 CD LYS A 102 -8.809 21.380 4.182 1.00 31.14 C ATOM 1559 CE LYS A 102 -9.691 20.154 3.996 1.00 4.43 C ATOM 1560 NZ LYS A 102 -10.972 20.273 4.746 1.00 5.44 N ATOM 0 H LYS A 102 -5.513 23.881 6.913 1.00 62.20 H new ATOM 0 HA LYS A 102 -5.694 22.697 4.247 1.00 21.05 H new ATOM 0 HB2 LYS A 102 -6.538 21.844 6.671 1.00 61.44 H new ATOM 0 HB3 LYS A 102 -7.966 22.742 6.199 1.00 61.44 H new ATOM 0 HG2 LYS A 102 -6.755 20.764 4.271 1.00 12.14 H new ATOM 0 HG3 LYS A 102 -7.735 20.184 5.604 1.00 12.14 H new ATOM 0 HD2 LYS A 102 -9.368 22.156 4.705 1.00 31.14 H new ATOM 0 HD3 LYS A 102 -8.538 21.786 3.207 1.00 31.14 H new ATOM 0 HE2 LYS A 102 -9.903 20.016 2.936 1.00 4.43 H new ATOM 0 HE3 LYS A 102 -9.155 19.267 4.332 1.00 4.43 H new ATOM 0 HZ1 LYS A 102 -11.544 19.418 4.593 1.00 5.44 H new ATOM 0 HZ2 LYS A 102 -10.771 20.379 5.761 1.00 5.44 H new ATOM 0 HZ3 LYS A 102 -11.496 21.105 4.408 1.00 5.44 H new ATOM 1574 N ASP A 103 -6.657 25.559 4.600 1.00 12.24 N ATOM 1575 CA ASP A 103 -7.395 26.695 4.059 1.00 32.43 C ATOM 1576 C ASP A 103 -6.471 27.619 3.273 1.00 63.53 C ATOM 1577 O ASP A 103 -6.911 28.620 2.708 1.00 13.13 O ATOM 1578 CB ASP A 103 -8.075 27.473 5.187 1.00 31.41 C ATOM 1579 CG ASP A 103 -9.522 27.799 4.875 1.00 51.34 C ATOM 1580 OD1 ASP A 103 -10.298 26.858 4.608 1.00 51.21 O ATOM 1581 OD2 ASP A 103 -9.878 28.996 4.896 1.00 55.20 O ATOM 0 H ASP A 103 -5.806 25.810 5.103 1.00 12.24 H new ATOM 0 HA ASP A 103 -8.158 26.311 3.381 1.00 32.43 H new ATOM 0 HB2 ASP A 103 -8.027 26.890 6.107 1.00 31.41 H new ATOM 0 HB3 ASP A 103 -7.528 28.398 5.367 1.00 31.41 H new ATOM 1586 N ASP A 104 -5.188 27.276 3.241 1.00 63.22 N ATOM 1587 CA ASP A 104 -4.201 28.074 2.524 1.00 45.35 C ATOM 1588 C ASP A 104 -3.611 27.289 1.356 1.00 0.11 C ATOM 1589 O ASP A 104 -3.293 27.856 0.310 1.00 51.31 O ATOM 1590 CB ASP A 104 -3.085 28.517 3.472 1.00 50.14 C ATOM 1591 CG ASP A 104 -2.561 29.901 3.142 1.00 24.12 C ATOM 1592 OD1 ASP A 104 -2.274 30.160 1.954 1.00 23.24 O ATOM 1593 OD2 ASP A 104 -2.438 30.725 4.072 1.00 41.21 O ATOM 0 H ASP A 104 -4.807 26.450 3.703 1.00 63.22 H new ATOM 0 HA ASP A 104 -4.703 28.957 2.128 1.00 45.35 H new ATOM 0 HB2 ASP A 104 -3.457 28.507 4.496 1.00 50.14 H new ATOM 0 HB3 ASP A 104 -2.265 27.800 3.424 1.00 50.14 H new ATOM 1598 N LEU A 105 -3.466 25.982 1.542 1.00 35.31 N ATOM 1599 CA LEU A 105 -2.914 25.118 0.505 1.00 62.24 C ATOM 1600 C LEU A 105 -3.768 25.168 -0.758 1.00 33.31 C ATOM 1601 O LEU A 105 -3.370 25.753 -1.765 1.00 13.04 O ATOM 1602 CB LEU A 105 -2.816 23.678 1.011 1.00 21.23 C ATOM 1603 CG LEU A 105 -2.720 22.593 -0.063 1.00 1.54 C ATOM 1604 CD1 LEU A 105 -1.375 22.660 -0.769 1.00 60.34 C ATOM 1605 CD2 LEU A 105 -2.936 21.217 0.549 1.00 70.23 C ATOM 0 H LEU A 105 -3.723 25.497 2.402 1.00 35.31 H new ATOM 0 HA LEU A 105 -1.915 25.479 0.261 1.00 62.24 H new ATOM 0 HB2 LEU A 105 -1.941 23.600 1.657 1.00 21.23 H new ATOM 0 HB3 LEU A 105 -3.689 23.472 1.630 1.00 21.23 H new ATOM 0 HG LEU A 105 -3.503 22.767 -0.801 1.00 1.54 H new ATOM 0 HD11 LEU A 105 -1.324 21.881 -1.530 1.00 60.34 H new ATOM 0 HD12 LEU A 105 -1.260 23.636 -1.241 1.00 60.34 H new ATOM 0 HD13 LEU A 105 -0.575 22.511 -0.043 1.00 60.34 H new ATOM 0 HD21 LEU A 105 -2.864 20.457 -0.229 1.00 70.23 H new ATOM 0 HD22 LEU A 105 -2.175 21.033 1.307 1.00 70.23 H new ATOM 0 HD23 LEU A 105 -3.924 21.174 1.008 1.00 70.23 H new ATOM 1617 N GLN A 106 -4.944 24.552 -0.695 1.00 34.20 N ATOM 1618 CA GLN A 106 -5.855 24.528 -1.833 1.00 74.12 C ATOM 1619 C GLN A 106 -6.109 25.938 -2.357 1.00 35.51 C ATOM 1620 O GLN A 106 -6.561 26.118 -3.487 1.00 3.20 O ATOM 1621 CB GLN A 106 -7.180 23.871 -1.440 1.00 24.22 C ATOM 1622 CG GLN A 106 -7.811 24.473 -0.195 1.00 32.20 C ATOM 1623 CD GLN A 106 -7.881 23.490 0.957 1.00 14.13 C ATOM 1624 OE1 GLN A 106 -8.839 22.726 1.079 1.00 60.52 O ATOM 1625 NE2 GLN A 106 -6.865 23.505 1.811 1.00 4.12 N ATOM 0 H GLN A 106 -5.288 24.063 0.131 1.00 34.20 H new ATOM 0 HA GLN A 106 -5.389 23.943 -2.626 1.00 74.12 H new ATOM 0 HB2 GLN A 106 -7.880 23.959 -2.271 1.00 24.22 H new ATOM 0 HB3 GLN A 106 -7.013 22.807 -1.275 1.00 24.22 H new ATOM 0 HG2 GLN A 106 -7.237 25.347 0.112 1.00 32.20 H new ATOM 0 HG3 GLN A 106 -8.816 24.820 -0.433 1.00 32.20 H new ATOM 0 HE21 GLN A 106 -6.091 24.155 1.672 1.00 4.12 H new ATOM 0 HE22 GLN A 106 -6.858 22.867 2.606 1.00 4.12 H new ATOM 1634 N ASN A 107 -5.817 26.934 -1.527 1.00 21.51 N ATOM 1635 CA ASN A 107 -6.015 28.328 -1.906 1.00 63.23 C ATOM 1636 C ASN A 107 -4.892 28.807 -2.822 1.00 33.12 C ATOM 1637 O ASN A 107 -5.112 29.621 -3.719 1.00 51.41 O ATOM 1638 CB ASN A 107 -6.084 29.212 -0.660 1.00 1.33 C ATOM 1639 CG ASN A 107 -7.504 29.623 -0.320 1.00 62.41 C ATOM 1640 OD1 ASN A 107 -7.811 30.810 -0.217 1.00 42.45 O ATOM 1641 ND2 ASN A 107 -8.378 28.638 -0.144 1.00 3.54 N ATOM 0 H ASN A 107 -5.442 26.802 -0.588 1.00 21.51 H new ATOM 0 HA ASN A 107 -6.958 28.401 -2.448 1.00 63.23 H new ATOM 0 HB2 ASN A 107 -5.651 28.678 0.186 1.00 1.33 H new ATOM 0 HB3 ASN A 107 -5.478 30.104 -0.817 1.00 1.33 H new ATOM 0 HD21 ASN A 107 -9.348 28.852 0.086 1.00 3.54 H new ATOM 0 HD22 ASN A 107 -8.079 27.668 -0.239 1.00 3.54 H new ATOM 1648 N THR A 108 -3.687 28.295 -2.590 1.00 13.34 N ATOM 1649 CA THR A 108 -2.530 28.671 -3.392 1.00 71.51 C ATOM 1650 C THR A 108 -2.477 27.870 -4.688 1.00 40.13 C ATOM 1651 O THR A 108 -2.097 28.393 -5.736 1.00 40.14 O ATOM 1652 CB THR A 108 -1.216 28.458 -2.617 1.00 11.32 C ATOM 1653 OG1 THR A 108 -0.982 29.564 -1.738 1.00 1.04 O ATOM 1654 CG2 THR A 108 -0.042 28.306 -3.572 1.00 54.25 C ATOM 0 H THR A 108 -3.487 27.619 -1.853 1.00 13.34 H new ATOM 0 HA THR A 108 -2.638 29.730 -3.626 1.00 71.51 H new ATOM 0 HB THR A 108 -1.309 27.542 -2.033 1.00 11.32 H new ATOM 0 HG1 THR A 108 -0.111 29.964 -1.941 1.00 1.04 H new ATOM 0 HG21 THR A 108 0.874 28.157 -3.001 1.00 54.25 H new ATOM 0 HG22 THR A 108 -0.210 27.446 -4.221 1.00 54.25 H new ATOM 0 HG23 THR A 108 0.052 29.206 -4.180 1.00 54.25 H new ATOM 1662 N ILE A 109 -2.860 26.600 -4.610 1.00 55.43 N ATOM 1663 CA ILE A 109 -2.858 25.729 -5.779 1.00 21.13 C ATOM 1664 C ILE A 109 -3.843 26.221 -6.834 1.00 5.31 C ATOM 1665 O ILE A 109 -3.702 25.918 -8.019 1.00 15.12 O ATOM 1666 CB ILE A 109 -3.211 24.279 -5.400 1.00 33.50 C ATOM 1667 CG1 ILE A 109 -2.001 23.582 -4.775 1.00 43.03 C ATOM 1668 CG2 ILE A 109 -3.696 23.515 -6.623 1.00 62.23 C ATOM 1669 CD1 ILE A 109 -1.810 23.901 -3.309 1.00 34.42 C ATOM 0 H ILE A 109 -3.176 26.151 -3.750 1.00 55.43 H new ATOM 0 HA ILE A 109 -1.848 25.754 -6.189 1.00 21.13 H new ATOM 0 HB ILE A 109 -4.015 24.297 -4.664 1.00 33.50 H new ATOM 0 HG12 ILE A 109 -2.112 22.504 -4.892 1.00 43.03 H new ATOM 0 HG13 ILE A 109 -1.103 23.871 -5.321 1.00 43.03 H new ATOM 0 HG21 ILE A 109 -3.942 22.492 -6.339 1.00 62.23 H new ATOM 0 HG22 ILE A 109 -4.583 24.002 -7.028 1.00 62.23 H new ATOM 0 HG23 ILE A 109 -2.911 23.503 -7.379 1.00 62.23 H new ATOM 0 HD11 ILE A 109 -0.934 23.373 -2.933 1.00 34.42 H new ATOM 0 HD12 ILE A 109 -1.667 24.975 -3.186 1.00 34.42 H new ATOM 0 HD13 ILE A 109 -2.691 23.586 -2.750 1.00 34.42 H new ATOM 1681 N VAL A 110 -4.839 26.985 -6.396 1.00 23.44 N ATOM 1682 CA VAL A 110 -5.846 27.522 -7.302 1.00 42.34 C ATOM 1683 C VAL A 110 -5.344 28.784 -7.995 1.00 0.41 C ATOM 1684 O VAL A 110 -5.779 29.116 -9.098 1.00 63.52 O ATOM 1685 CB VAL A 110 -7.156 27.844 -6.559 1.00 42.21 C ATOM 1686 CG1 VAL A 110 -7.697 26.602 -5.868 1.00 22.12 C ATOM 1687 CG2 VAL A 110 -6.938 28.969 -5.558 1.00 65.13 C ATOM 0 H VAL A 110 -4.969 27.246 -5.419 1.00 23.44 H new ATOM 0 HA VAL A 110 -6.041 26.753 -8.050 1.00 42.34 H new ATOM 0 HB VAL A 110 -7.895 28.176 -7.288 1.00 42.21 H new ATOM 0 HG11 VAL A 110 -8.623 26.849 -5.348 1.00 22.12 H new ATOM 0 HG12 VAL A 110 -7.893 25.829 -6.611 1.00 22.12 H new ATOM 0 HG13 VAL A 110 -6.964 26.237 -5.149 1.00 22.12 H new ATOM 0 HG21 VAL A 110 -7.874 29.183 -5.042 1.00 65.13 H new ATOM 0 HG22 VAL A 110 -6.184 28.668 -4.831 1.00 65.13 H new ATOM 0 HG23 VAL A 110 -6.600 29.863 -6.083 1.00 65.13 H new ATOM 1697 N LYS A 111 -4.425 29.486 -7.340 1.00 51.23 N ATOM 1698 CA LYS A 111 -3.861 30.712 -7.893 1.00 1.15 C ATOM 1699 C LYS A 111 -2.717 30.400 -8.852 1.00 41.51 C ATOM 1700 O LYS A 111 -2.458 31.154 -9.791 1.00 74.13 O ATOM 1701 CB LYS A 111 -3.363 31.621 -6.767 1.00 10.14 C ATOM 1702 CG LYS A 111 -1.861 31.558 -6.553 1.00 65.13 C ATOM 1703 CD LYS A 111 -1.489 31.861 -5.111 1.00 42.15 C ATOM 1704 CE LYS A 111 -1.060 33.310 -4.939 1.00 41.23 C ATOM 1705 NZ LYS A 111 0.128 33.435 -4.050 1.00 44.14 N ATOM 0 H LYS A 111 -4.055 29.227 -6.426 1.00 51.23 H new ATOM 0 HA LYS A 111 -4.646 31.226 -8.447 1.00 1.15 H new ATOM 0 HB2 LYS A 111 -3.647 32.650 -6.990 1.00 10.14 H new ATOM 0 HB3 LYS A 111 -3.865 31.345 -5.840 1.00 10.14 H new ATOM 0 HG2 LYS A 111 -1.495 30.567 -6.823 1.00 65.13 H new ATOM 0 HG3 LYS A 111 -1.368 32.271 -7.214 1.00 65.13 H new ATOM 0 HD2 LYS A 111 -2.341 31.653 -4.463 1.00 42.15 H new ATOM 0 HD3 LYS A 111 -0.680 31.201 -4.796 1.00 42.15 H new ATOM 0 HE2 LYS A 111 -0.830 33.739 -5.914 1.00 41.23 H new ATOM 0 HE3 LYS A 111 -1.887 33.887 -4.524 1.00 41.23 H new ATOM 0 HZ1 LYS A 111 0.389 34.438 -3.958 1.00 44.14 H new ATOM 0 HZ2 LYS A 111 -0.099 33.049 -3.111 1.00 44.14 H new ATOM 0 HZ3 LYS A 111 0.925 32.906 -4.459 1.00 44.14 H new ATOM 1719 N HIS A 112 -2.035 29.285 -8.611 1.00 12.02 N ATOM 1720 CA HIS A 112 -0.920 28.873 -9.455 1.00 62.15 C ATOM 1721 C HIS A 112 -1.353 27.788 -10.437 1.00 53.41 C ATOM 1722 O HIS A 112 -1.056 27.861 -11.630 1.00 15.34 O ATOM 1723 CB HIS A 112 0.238 28.366 -8.596 1.00 23.44 C ATOM 1724 CG HIS A 112 0.673 29.338 -7.542 1.00 60.35 C ATOM 1725 ND1 HIS A 112 1.093 29.137 -6.271 1.00 1.44 N flip ATOM 1726 CD2 HIS A 112 0.706 30.701 -7.745 1.00 73.04 C flip ATOM 1727 CE1 HIS A 112 1.370 30.370 -5.735 1.00 11.20 C flip ATOM 1728 NE2 HIS A 112 1.129 31.297 -6.644 1.00 0.14 N flip ATOM 0 H HIS A 112 -2.235 28.651 -7.838 1.00 12.02 H new ATOM 0 HA HIS A 112 -0.588 29.742 -10.024 1.00 62.15 H new ATOM 0 HB2 HIS A 112 -0.057 27.432 -8.118 1.00 23.44 H new ATOM 0 HB3 HIS A 112 1.086 28.139 -9.242 1.00 23.44 H new ATOM 0 HD1 HIS A 112 1.186 28.237 -5.800 1.00 1.44 H new ATOM 0 HD2 HIS A 112 0.430 31.203 -8.660 1.00 73.04 H new ATOM 0 HE1 HIS A 112 1.727 30.552 -4.732 1.00 11.20 H new ATOM 1736 N VAL A 113 -2.057 26.782 -9.927 1.00 43.22 N ATOM 1737 CA VAL A 113 -2.531 25.683 -10.759 1.00 33.43 C ATOM 1738 C VAL A 113 -3.957 25.931 -11.237 1.00 53.20 C ATOM 1739 O VAL A 113 -4.344 25.497 -12.321 1.00 73.20 O ATOM 1740 CB VAL A 113 -2.482 24.343 -10.000 1.00 12.33 C ATOM 1741 CG1 VAL A 113 -2.454 23.177 -10.976 1.00 33.14 C ATOM 1742 CG2 VAL A 113 -1.278 24.301 -9.071 1.00 41.33 C ATOM 0 H VAL A 113 -2.311 26.706 -8.942 1.00 43.22 H new ATOM 0 HA VAL A 113 -1.866 25.629 -11.621 1.00 33.43 H new ATOM 0 HB VAL A 113 -3.383 24.256 -9.393 1.00 12.33 H new ATOM 0 HG11 VAL A 113 -2.419 22.239 -10.422 1.00 33.14 H new ATOM 0 HG12 VAL A 113 -3.351 23.199 -11.596 1.00 33.14 H new ATOM 0 HG13 VAL A 113 -1.572 23.255 -11.611 1.00 33.14 H new ATOM 0 HG21 VAL A 113 -1.259 23.348 -8.543 1.00 41.33 H new ATOM 0 HG22 VAL A 113 -0.364 24.411 -9.655 1.00 41.33 H new ATOM 0 HG23 VAL A 113 -1.347 25.114 -8.349 1.00 41.33 H new ATOM 1752 N GLY A 114 -4.736 26.634 -10.420 1.00 42.50 N ATOM 1753 CA GLY A 114 -6.111 26.930 -10.777 1.00 71.52 C ATOM 1754 C GLY A 114 -6.219 28.045 -11.798 1.00 5.12 C ATOM 1755 O GLY A 114 -7.244 28.191 -12.461 1.00 54.55 O ATOM 0 H GLY A 114 -4.439 27.004 -9.517 1.00 42.50 H new ATOM 0 HA2 GLY A 114 -6.581 26.031 -11.175 1.00 71.52 H new ATOM 0 HA3 GLY A 114 -6.664 27.209 -9.880 1.00 71.52 H new ATOM 1759 N ALA A 115 -5.157 28.835 -11.923 1.00 30.13 N ATOM 1760 CA ALA A 115 -5.136 29.943 -12.870 1.00 34.31 C ATOM 1761 C ALA A 115 -6.378 30.816 -12.721 1.00 22.32 C ATOM 1762 O ALA A 115 -6.719 31.588 -13.618 1.00 24.23 O ATOM 1763 CB ALA A 115 -5.026 29.418 -14.294 1.00 22.33 C ATOM 0 H ALA A 115 -4.300 28.728 -11.380 1.00 30.13 H new ATOM 0 HA ALA A 115 -4.263 30.558 -12.652 1.00 34.31 H new ATOM 0 HB1 ALA A 115 -5.011 30.256 -14.991 1.00 22.33 H new ATOM 0 HB2 ALA A 115 -4.106 28.842 -14.400 1.00 22.33 H new ATOM 0 HB3 ALA A 115 -5.881 28.779 -14.513 1.00 22.33 H new