USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 858 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 38 THR OG1 : rot -64:sc= 0.856 USER MOD Set 1.2: A 71 MET CE :methyl 154:sc= -1.74 (180deg=-4.06!) USER MOD Single : A 1 GLY N :NH3+ 142:sc= 0.0191 (180deg=0) USER MOD Single : A 4 SER OG : rot -160:sc= 0 USER MOD Single : A 5 MET CE :methyl -160:sc= -0.325 (180deg=-1.11) USER MOD Single : A 7 ASN : amide:sc= -0.341 K(o=-0.34,f=-4.8!) USER MOD Single : A 12 LYS NZ :NH3+ -167:sc= -0.0114 (180deg=-0.173) USER MOD Single : A 18 ASN : amide:sc=-0.00734 X(o=-0.0073,f=-0.012) USER MOD Single : A 21 TYR OH : rot 150:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.606 USER MOD Single : A 43 ASN :FLIP amide:sc=-0.00572 F(o=-1,f=-0.0057) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -167:sc= -2.67! (180deg=-3.01!) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -163:sc= -0.156 (180deg=-0.609) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 GLN : amide:sc= -0.491 K(o=-0.49,f=-2.3) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.062 -2.139 -3.346 1.00 73.34 N ATOM 2 CA GLY A 1 2.886 -1.224 -2.522 1.00 62.13 C ATOM 3 C GLY A 1 3.970 -1.964 -1.761 1.00 61.10 C ATOM 4 O GLY A 1 3.756 -3.098 -1.331 1.00 24.12 O ATOM 0 H1 GLY A 1 1.069 -1.831 -3.319 1.00 73.34 H new ATOM 0 H2 GLY A 1 2.403 -2.124 -4.328 1.00 73.34 H new ATOM 0 H3 GLY A 1 2.135 -3.106 -2.969 1.00 73.34 H new ATOM 0 HA2 GLY A 1 3.343 -0.471 -3.164 1.00 62.13 H new ATOM 0 HA3 GLY A 1 2.245 -0.695 -1.817 1.00 62.13 H new ATOM 10 N PRO A 2 5.154 -1.349 -1.581 1.00 54.02 N ATOM 11 CA PRO A 2 6.270 -1.968 -0.854 1.00 54.14 C ATOM 12 C PRO A 2 5.945 -2.181 0.625 1.00 12.11 C ATOM 13 O PRO A 2 5.188 -1.407 1.225 1.00 30.53 O ATOM 14 CB PRO A 2 7.423 -0.958 -1.013 1.00 64.44 C ATOM 15 CG PRO A 2 7.006 -0.065 -2.135 1.00 74.42 C ATOM 16 CD PRO A 2 5.505 -0.007 -2.074 1.00 51.33 C ATOM 0 HA PRO A 2 6.507 -2.958 -1.244 1.00 54.14 H new ATOM 0 HB2 PRO A 2 7.580 -0.391 -0.095 1.00 64.44 H new ATOM 0 HB3 PRO A 2 8.362 -1.464 -1.240 1.00 64.44 H new ATOM 0 HG2 PRO A 2 7.441 0.929 -2.027 1.00 74.42 H new ATOM 0 HG3 PRO A 2 7.344 -0.458 -3.094 1.00 74.42 H new ATOM 0 HD2 PRO A 2 5.156 0.776 -1.401 1.00 51.33 H new ATOM 0 HD3 PRO A 2 5.067 0.194 -3.052 1.00 51.33 H new ATOM 24 N GLY A 3 6.517 -3.229 1.202 1.00 32.55 N ATOM 25 CA GLY A 3 6.309 -3.524 2.609 1.00 61.02 C ATOM 26 C GLY A 3 6.790 -4.913 2.971 1.00 31.51 C ATOM 27 O GLY A 3 6.184 -5.591 3.800 1.00 24.10 O ATOM 0 H GLY A 3 7.127 -3.887 0.717 1.00 32.55 H new ATOM 0 HA2 GLY A 3 6.836 -2.788 3.216 1.00 61.02 H new ATOM 0 HA3 GLY A 3 5.249 -3.433 2.846 1.00 61.02 H new ATOM 31 N SER A 4 7.887 -5.335 2.346 1.00 41.20 N ATOM 32 CA SER A 4 8.438 -6.669 2.545 1.00 34.13 C ATOM 33 C SER A 4 9.920 -6.584 2.917 1.00 22.30 C ATOM 34 O SER A 4 10.566 -5.558 2.696 1.00 41.31 O ATOM 35 CB SER A 4 8.248 -7.505 1.270 1.00 5.34 C ATOM 36 OG SER A 4 8.698 -6.798 0.124 1.00 55.43 O ATOM 0 H SER A 4 8.416 -4.762 1.689 1.00 41.20 H new ATOM 0 HA SER A 4 7.909 -7.153 3.366 1.00 34.13 H new ATOM 0 HB2 SER A 4 8.796 -8.443 1.361 1.00 5.34 H new ATOM 0 HB3 SER A 4 7.195 -7.761 1.153 1.00 5.34 H new ATOM 0 HG SER A 4 8.293 -7.186 -0.680 1.00 55.43 H new ATOM 42 N MET A 5 10.441 -7.664 3.489 1.00 64.41 N ATOM 43 CA MET A 5 11.842 -7.728 3.900 1.00 24.34 C ATOM 44 C MET A 5 12.580 -8.827 3.134 1.00 51.43 C ATOM 45 O MET A 5 13.787 -8.731 2.898 1.00 54.22 O ATOM 46 CB MET A 5 11.918 -7.978 5.421 1.00 2.21 C ATOM 47 CG MET A 5 13.332 -8.029 5.998 1.00 62.13 C ATOM 48 SD MET A 5 14.226 -9.542 5.570 1.00 65.44 S ATOM 49 CE MET A 5 13.151 -10.795 6.273 1.00 30.13 C ATOM 0 H MET A 5 9.911 -8.514 3.680 1.00 64.41 H new ATOM 0 HA MET A 5 12.326 -6.779 3.669 1.00 24.34 H new ATOM 0 HB2 MET A 5 11.362 -7.192 5.931 1.00 2.21 H new ATOM 0 HB3 MET A 5 11.417 -8.920 5.645 1.00 2.21 H new ATOM 0 HG2 MET A 5 13.895 -7.168 5.637 1.00 62.13 H new ATOM 0 HG3 MET A 5 13.277 -7.942 7.083 1.00 62.13 H new ATOM 0 HE1 MET A 5 13.711 -11.720 6.411 1.00 30.13 H new ATOM 0 HE2 MET A 5 12.774 -10.452 7.237 1.00 30.13 H new ATOM 0 HE3 MET A 5 12.313 -10.975 5.599 1.00 30.13 H new ATOM 59 N VAL A 6 11.835 -9.852 2.721 1.00 42.23 N ATOM 60 CA VAL A 6 12.419 -11.042 2.095 1.00 64.21 C ATOM 61 C VAL A 6 12.882 -10.804 0.652 1.00 41.01 C ATOM 62 O VAL A 6 12.878 -9.679 0.144 1.00 75.33 O ATOM 63 CB VAL A 6 11.422 -12.225 2.104 1.00 3.55 C ATOM 64 CG1 VAL A 6 11.192 -12.725 3.522 1.00 60.22 C ATOM 65 CG2 VAL A 6 10.100 -11.823 1.448 1.00 11.52 C ATOM 0 H VAL A 6 10.819 -9.883 2.809 1.00 42.23 H new ATOM 0 HA VAL A 6 13.296 -11.281 2.696 1.00 64.21 H new ATOM 0 HB VAL A 6 11.855 -13.040 1.524 1.00 3.55 H new ATOM 0 HG11 VAL A 6 10.488 -13.557 3.505 1.00 60.22 H new ATOM 0 HG12 VAL A 6 12.138 -13.059 3.948 1.00 60.22 H new ATOM 0 HG13 VAL A 6 10.785 -11.918 4.131 1.00 60.22 H new ATOM 0 HG21 VAL A 6 9.413 -12.669 1.465 1.00 11.52 H new ATOM 0 HG22 VAL A 6 9.661 -10.989 1.995 1.00 11.52 H new ATOM 0 HG23 VAL A 6 10.282 -11.524 0.416 1.00 11.52 H new ATOM 75 N ASN A 7 13.295 -11.907 0.024 1.00 53.22 N ATOM 76 CA ASN A 7 13.777 -11.954 -1.355 1.00 71.21 C ATOM 77 C ASN A 7 12.764 -11.384 -2.347 1.00 44.52 C ATOM 78 O ASN A 7 11.616 -11.123 -1.995 1.00 33.22 O ATOM 79 CB ASN A 7 14.029 -13.421 -1.715 1.00 54.12 C ATOM 80 CG ASN A 7 15.058 -13.599 -2.797 1.00 14.33 C ATOM 81 OD1 ASN A 7 14.759 -13.506 -3.988 1.00 32.24 O ATOM 82 ND2 ASN A 7 16.264 -13.907 -2.375 1.00 52.12 N ATOM 0 H ASN A 7 13.303 -12.821 0.477 1.00 53.22 H new ATOM 0 HA ASN A 7 14.682 -11.350 -1.420 1.00 71.21 H new ATOM 0 HB2 ASN A 7 14.354 -13.956 -0.823 1.00 54.12 H new ATOM 0 HB3 ASN A 7 13.092 -13.875 -2.036 1.00 54.12 H new ATOM 0 HD21 ASN A 7 17.010 -14.083 -3.048 1.00 52.12 H new ATOM 0 HD22 ASN A 7 16.454 -13.970 -1.375 1.00 52.12 H new ATOM 89 N ALA A 8 13.192 -11.237 -3.598 1.00 60.32 N ATOM 90 CA ALA A 8 12.311 -10.803 -4.677 1.00 3.34 C ATOM 91 C ALA A 8 11.256 -11.875 -4.972 1.00 60.24 C ATOM 92 O ALA A 8 10.058 -11.596 -4.978 1.00 14.22 O ATOM 93 CB ALA A 8 13.122 -10.491 -5.932 1.00 31.02 C ATOM 0 H ALA A 8 14.153 -11.414 -3.891 1.00 60.32 H new ATOM 0 HA ALA A 8 11.799 -9.894 -4.362 1.00 3.34 H new ATOM 0 HB1 ALA A 8 12.451 -10.169 -6.728 1.00 31.02 H new ATOM 0 HB2 ALA A 8 13.836 -9.697 -5.716 1.00 31.02 H new ATOM 0 HB3 ALA A 8 13.659 -11.385 -6.250 1.00 31.02 H new ATOM 99 N PHE A 9 11.713 -13.108 -5.204 1.00 32.01 N ATOM 100 CA PHE A 9 10.805 -14.230 -5.472 1.00 51.44 C ATOM 101 C PHE A 9 9.910 -14.472 -4.258 1.00 64.40 C ATOM 102 O PHE A 9 8.701 -14.674 -4.387 1.00 61.22 O ATOM 103 CB PHE A 9 11.613 -15.500 -5.849 1.00 13.33 C ATOM 104 CG PHE A 9 10.808 -16.779 -5.969 1.00 33.31 C ATOM 105 CD1 PHE A 9 10.342 -17.448 -4.843 1.00 60.44 C ATOM 106 CD2 PHE A 9 10.526 -17.311 -7.215 1.00 74.23 C ATOM 107 CE1 PHE A 9 9.614 -18.616 -4.962 1.00 44.20 C ATOM 108 CE2 PHE A 9 9.797 -18.480 -7.338 1.00 51.30 C ATOM 109 CZ PHE A 9 9.341 -19.132 -6.212 1.00 62.30 C ATOM 0 H PHE A 9 12.702 -13.356 -5.212 1.00 32.01 H new ATOM 0 HA PHE A 9 10.166 -13.984 -6.320 1.00 51.44 H new ATOM 0 HB2 PHE A 9 12.117 -15.319 -6.798 1.00 13.33 H new ATOM 0 HB3 PHE A 9 12.390 -15.650 -5.099 1.00 13.33 H new ATOM 0 HD1 PHE A 9 10.552 -17.049 -3.862 1.00 60.44 H new ATOM 0 HD2 PHE A 9 10.880 -16.807 -8.102 1.00 74.23 H new ATOM 0 HE1 PHE A 9 9.259 -19.124 -4.078 1.00 44.20 H new ATOM 0 HE2 PHE A 9 9.585 -18.883 -8.317 1.00 51.30 H new ATOM 0 HZ PHE A 9 8.771 -20.045 -6.308 1.00 62.30 H new ATOM 119 N LEU A 10 10.516 -14.419 -3.079 1.00 11.31 N ATOM 120 CA LEU A 10 9.798 -14.636 -1.827 1.00 65.43 C ATOM 121 C LEU A 10 8.717 -13.571 -1.621 1.00 12.34 C ATOM 122 O LEU A 10 7.563 -13.895 -1.340 1.00 22.41 O ATOM 123 CB LEU A 10 10.787 -14.661 -0.648 1.00 53.03 C ATOM 124 CG LEU A 10 11.534 -15.996 -0.436 1.00 71.33 C ATOM 125 CD1 LEU A 10 10.549 -17.084 -0.045 1.00 60.00 C ATOM 126 CD2 LEU A 10 12.313 -16.416 -1.681 1.00 5.43 C ATOM 0 H LEU A 10 11.511 -14.226 -2.962 1.00 11.31 H new ATOM 0 HA LEU A 10 9.297 -15.603 -1.877 1.00 65.43 H new ATOM 0 HB2 LEU A 10 11.524 -13.872 -0.798 1.00 53.03 H new ATOM 0 HB3 LEU A 10 10.243 -14.420 0.265 1.00 53.03 H new ATOM 0 HG LEU A 10 12.254 -15.849 0.369 1.00 71.33 H new ATOM 0 HD11 LEU A 10 11.083 -18.023 0.103 1.00 60.00 H new ATOM 0 HD12 LEU A 10 10.045 -16.804 0.880 1.00 60.00 H new ATOM 0 HD13 LEU A 10 9.810 -17.208 -0.837 1.00 60.00 H new ATOM 0 HD21 LEU A 10 12.824 -17.360 -1.489 1.00 5.43 H new ATOM 0 HD22 LEU A 10 11.624 -16.539 -2.517 1.00 5.43 H new ATOM 0 HD23 LEU A 10 13.048 -15.649 -1.926 1.00 5.43 H new ATOM 138 N ALA A 11 9.095 -12.302 -1.763 1.00 51.23 N ATOM 139 CA ALA A 11 8.141 -11.194 -1.684 1.00 43.20 C ATOM 140 C ALA A 11 7.002 -11.380 -2.689 1.00 60.02 C ATOM 141 O ALA A 11 5.837 -11.118 -2.378 1.00 21.33 O ATOM 142 CB ALA A 11 8.850 -9.863 -1.921 1.00 15.33 C ATOM 0 H ALA A 11 10.058 -12.013 -1.934 1.00 51.23 H new ATOM 0 HA ALA A 11 7.711 -11.187 -0.682 1.00 43.20 H new ATOM 0 HB1 ALA A 11 8.127 -9.050 -1.859 1.00 15.33 H new ATOM 0 HB2 ALA A 11 9.621 -9.722 -1.164 1.00 15.33 H new ATOM 0 HB3 ALA A 11 9.309 -9.866 -2.910 1.00 15.33 H new ATOM 148 N LYS A 12 7.348 -11.837 -3.893 1.00 75.22 N ATOM 149 CA LYS A 12 6.356 -12.126 -4.924 1.00 3.03 C ATOM 150 C LYS A 12 5.356 -13.168 -4.421 1.00 75.15 C ATOM 151 O LYS A 12 4.148 -13.006 -4.587 1.00 72.25 O ATOM 152 CB LYS A 12 7.039 -12.616 -6.213 1.00 62.31 C ATOM 153 CG LYS A 12 6.061 -13.061 -7.300 1.00 64.45 C ATOM 154 CD LYS A 12 6.783 -13.564 -8.551 1.00 25.11 C ATOM 155 CE LYS A 12 7.485 -12.439 -9.308 1.00 55.23 C ATOM 156 NZ LYS A 12 6.515 -11.463 -9.873 1.00 30.21 N ATOM 0 H LYS A 12 8.311 -12.015 -4.177 1.00 75.22 H new ATOM 0 HA LYS A 12 5.817 -11.206 -5.151 1.00 3.03 H new ATOM 0 HB2 LYS A 12 7.666 -11.816 -6.607 1.00 62.31 H new ATOM 0 HB3 LYS A 12 7.699 -13.448 -5.969 1.00 62.31 H new ATOM 0 HG2 LYS A 12 5.420 -13.851 -6.909 1.00 64.45 H new ATOM 0 HG3 LYS A 12 5.412 -12.227 -7.567 1.00 64.45 H new ATOM 0 HD2 LYS A 12 7.516 -14.319 -8.266 1.00 25.11 H new ATOM 0 HD3 LYS A 12 6.065 -14.050 -9.211 1.00 25.11 H new ATOM 0 HE2 LYS A 12 8.171 -11.922 -8.637 1.00 55.23 H new ATOM 0 HE3 LYS A 12 8.085 -12.862 -10.113 1.00 55.23 H new ATOM 0 HZ1 LYS A 12 7.000 -10.847 -10.556 1.00 30.21 H new ATOM 0 HZ2 LYS A 12 5.748 -11.975 -10.353 1.00 30.21 H new ATOM 0 HZ3 LYS A 12 6.118 -10.884 -9.106 1.00 30.21 H new ATOM 170 N ILE A 13 5.871 -14.226 -3.792 1.00 44.14 N ATOM 171 CA ILE A 13 5.023 -15.277 -3.221 1.00 31.13 C ATOM 172 C ILE A 13 4.093 -14.696 -2.157 1.00 54.15 C ATOM 173 O ILE A 13 2.890 -14.964 -2.150 1.00 11.24 O ATOM 174 CB ILE A 13 5.869 -16.415 -2.591 1.00 33.44 C ATOM 175 CG1 ILE A 13 6.763 -17.086 -3.649 1.00 4.41 C ATOM 176 CG2 ILE A 13 4.973 -17.454 -1.910 1.00 34.00 C ATOM 177 CD1 ILE A 13 6.000 -17.873 -4.694 1.00 1.42 C ATOM 0 H ILE A 13 6.871 -14.379 -3.664 1.00 44.14 H new ATOM 0 HA ILE A 13 4.433 -15.694 -4.038 1.00 31.13 H new ATOM 0 HB ILE A 13 6.512 -15.969 -1.832 1.00 33.44 H new ATOM 0 HG12 ILE A 13 7.355 -16.319 -4.148 1.00 4.41 H new ATOM 0 HG13 ILE A 13 7.464 -17.753 -3.147 1.00 4.41 H new ATOM 0 HG21 ILE A 13 5.592 -18.240 -1.477 1.00 34.00 H new ATOM 0 HG22 ILE A 13 4.393 -16.974 -1.122 1.00 34.00 H new ATOM 0 HG23 ILE A 13 4.296 -17.889 -2.645 1.00 34.00 H new ATOM 0 HD11 ILE A 13 6.702 -18.314 -5.402 1.00 1.42 H new ATOM 0 HD12 ILE A 13 5.429 -18.664 -4.208 1.00 1.42 H new ATOM 0 HD13 ILE A 13 5.319 -17.208 -5.225 1.00 1.42 H new ATOM 189 N ALA A 14 4.664 -13.889 -1.266 1.00 10.43 N ATOM 190 CA ALA A 14 3.913 -13.277 -0.177 1.00 65.03 C ATOM 191 C ALA A 14 2.763 -12.425 -0.713 1.00 45.24 C ATOM 192 O ALA A 14 1.625 -12.556 -0.268 1.00 22.51 O ATOM 193 CB ALA A 14 4.841 -12.434 0.696 1.00 21.21 C ATOM 0 H ALA A 14 5.654 -13.643 -1.279 1.00 10.43 H new ATOM 0 HA ALA A 14 3.485 -14.074 0.431 1.00 65.03 H new ATOM 0 HB1 ALA A 14 4.268 -11.982 1.506 1.00 21.21 H new ATOM 0 HB2 ALA A 14 5.623 -13.068 1.114 1.00 21.21 H new ATOM 0 HB3 ALA A 14 5.296 -11.649 0.092 1.00 21.21 H new ATOM 199 N ALA A 15 3.064 -11.564 -1.680 1.00 74.24 N ATOM 200 CA ALA A 15 2.057 -10.688 -2.278 1.00 32.11 C ATOM 201 C ALA A 15 1.024 -11.502 -3.057 1.00 51.43 C ATOM 202 O ALA A 15 -0.175 -11.229 -3.000 1.00 74.42 O ATOM 203 CB ALA A 15 2.722 -9.657 -3.183 1.00 53.00 C ATOM 0 H ALA A 15 4.000 -11.453 -2.069 1.00 74.24 H new ATOM 0 HA ALA A 15 1.539 -10.162 -1.476 1.00 32.11 H new ATOM 0 HB1 ALA A 15 1.960 -9.012 -3.621 1.00 53.00 H new ATOM 0 HB2 ALA A 15 3.416 -9.053 -2.598 1.00 53.00 H new ATOM 0 HB3 ALA A 15 3.266 -10.167 -3.978 1.00 53.00 H new ATOM 209 N TRP A 16 1.515 -12.506 -3.775 1.00 42.31 N ATOM 210 CA TRP A 16 0.678 -13.418 -4.553 1.00 14.44 C ATOM 211 C TRP A 16 -0.389 -14.067 -3.666 1.00 61.31 C ATOM 212 O TRP A 16 -1.575 -14.097 -4.011 1.00 4.24 O ATOM 213 CB TRP A 16 1.590 -14.470 -5.211 1.00 24.40 C ATOM 214 CG TRP A 16 0.923 -15.741 -5.639 1.00 52.04 C ATOM 215 CD1 TRP A 16 -0.021 -15.898 -6.609 1.00 52.03 C ATOM 216 CD2 TRP A 16 1.187 -17.048 -5.117 1.00 31.11 C ATOM 217 NE1 TRP A 16 -0.366 -17.225 -6.719 1.00 3.11 N ATOM 218 CE2 TRP A 16 0.361 -17.949 -5.807 1.00 21.40 C ATOM 219 CE3 TRP A 16 2.040 -17.539 -4.126 1.00 71.50 C ATOM 220 CZ2 TRP A 16 0.366 -19.317 -5.540 1.00 15.24 C ATOM 221 CZ3 TRP A 16 2.045 -18.893 -3.861 1.00 2.41 C ATOM 222 CH2 TRP A 16 1.212 -19.769 -4.564 1.00 12.14 C ATOM 0 H TRP A 16 2.512 -12.713 -3.835 1.00 42.31 H new ATOM 0 HA TRP A 16 0.146 -12.869 -5.330 1.00 14.44 H new ATOM 0 HB2 TRP A 16 2.061 -14.018 -6.084 1.00 24.40 H new ATOM 0 HB3 TRP A 16 2.388 -14.719 -4.511 1.00 24.40 H new ATOM 0 HD1 TRP A 16 -0.437 -15.098 -7.204 1.00 52.03 H new ATOM 0 HE1 TRP A 16 -1.050 -17.608 -7.371 1.00 3.11 H new ATOM 0 HE3 TRP A 16 2.685 -16.870 -3.576 1.00 71.50 H new ATOM 0 HZ2 TRP A 16 -0.275 -19.996 -6.084 1.00 15.24 H new ATOM 0 HZ3 TRP A 16 2.703 -19.283 -3.098 1.00 2.41 H new ATOM 0 HH2 TRP A 16 1.237 -20.823 -4.332 1.00 12.14 H new ATOM 233 N LEU A 17 0.042 -14.565 -2.516 1.00 61.21 N ATOM 234 CA LEU A 17 -0.857 -15.197 -1.555 1.00 62.45 C ATOM 235 C LEU A 17 -1.752 -14.169 -0.860 1.00 2.03 C ATOM 236 O LEU A 17 -2.977 -14.326 -0.815 1.00 1.20 O ATOM 237 CB LEU A 17 -0.039 -15.990 -0.519 1.00 54.03 C ATOM 238 CG LEU A 17 0.043 -17.499 -0.790 1.00 44.41 C ATOM 239 CD1 LEU A 17 1.098 -18.162 0.090 1.00 31.01 C ATOM 240 CD2 LEU A 17 -1.322 -18.144 -0.568 1.00 20.20 C ATOM 0 H LEU A 17 1.018 -14.544 -2.222 1.00 61.21 H new ATOM 0 HA LEU A 17 -1.509 -15.881 -2.099 1.00 62.45 H new ATOM 0 HB2 LEU A 17 0.972 -15.584 -0.486 1.00 54.03 H new ATOM 0 HB3 LEU A 17 -0.477 -15.834 0.467 1.00 54.03 H new ATOM 0 HG LEU A 17 0.339 -17.644 -1.829 1.00 44.41 H new ATOM 0 HD11 LEU A 17 1.132 -19.230 -0.125 1.00 31.01 H new ATOM 0 HD12 LEU A 17 2.073 -17.719 -0.114 1.00 31.01 H new ATOM 0 HD13 LEU A 17 0.844 -18.011 1.139 1.00 31.01 H new ATOM 0 HD21 LEU A 17 -1.255 -19.214 -0.762 1.00 20.20 H new ATOM 0 HD22 LEU A 17 -1.638 -17.982 0.463 1.00 20.20 H new ATOM 0 HD23 LEU A 17 -2.050 -17.697 -1.245 1.00 20.20 H new ATOM 252 N ASN A 18 -1.134 -13.118 -0.336 1.00 65.13 N ATOM 253 CA ASN A 18 -1.843 -12.112 0.456 1.00 45.11 C ATOM 254 C ASN A 18 -2.934 -11.441 -0.385 1.00 52.24 C ATOM 255 O ASN A 18 -3.994 -11.082 0.128 1.00 12.31 O ATOM 256 CB ASN A 18 -0.844 -11.061 0.985 1.00 44.01 C ATOM 257 CG ASN A 18 -1.329 -10.281 2.209 1.00 55.42 C ATOM 258 OD1 ASN A 18 -0.523 -9.870 3.044 1.00 21.33 O ATOM 259 ND2 ASN A 18 -2.630 -10.057 2.335 1.00 62.40 N ATOM 0 H ASN A 18 -0.136 -12.937 -0.445 1.00 65.13 H new ATOM 0 HA ASN A 18 -2.320 -12.602 1.305 1.00 45.11 H new ATOM 0 HB2 ASN A 18 0.091 -11.562 1.237 1.00 44.01 H new ATOM 0 HB3 ASN A 18 -0.622 -10.355 0.185 1.00 44.01 H new ATOM 0 HD21 ASN A 18 -2.982 -9.534 3.137 1.00 62.40 H new ATOM 0 HD22 ASN A 18 -3.278 -10.408 1.630 1.00 62.40 H new ATOM 266 N ALA A 19 -2.671 -11.291 -1.681 1.00 61.24 N ATOM 267 CA ALA A 19 -3.637 -10.691 -2.600 1.00 24.21 C ATOM 268 C ALA A 19 -4.904 -11.538 -2.678 1.00 11.54 C ATOM 269 O ALA A 19 -6.021 -11.013 -2.694 1.00 11.42 O ATOM 270 CB ALA A 19 -3.020 -10.524 -3.987 1.00 61.32 C ATOM 0 H ALA A 19 -1.796 -11.577 -2.120 1.00 61.24 H new ATOM 0 HA ALA A 19 -3.907 -9.706 -2.219 1.00 24.21 H new ATOM 0 HB1 ALA A 19 -3.752 -10.076 -4.659 1.00 61.32 H new ATOM 0 HB2 ALA A 19 -2.145 -9.877 -3.921 1.00 61.32 H new ATOM 0 HB3 ALA A 19 -2.722 -11.499 -4.373 1.00 61.32 H new ATOM 276 N GLY A 20 -4.720 -12.857 -2.710 1.00 74.52 N ATOM 277 CA GLY A 20 -5.844 -13.771 -2.805 1.00 23.12 C ATOM 278 C GLY A 20 -6.484 -14.039 -1.457 1.00 55.43 C ATOM 279 O GLY A 20 -7.650 -14.440 -1.381 1.00 43.31 O ATOM 0 H GLY A 20 -3.807 -13.309 -2.671 1.00 74.52 H new ATOM 0 HA2 GLY A 20 -6.590 -13.356 -3.483 1.00 23.12 H new ATOM 0 HA3 GLY A 20 -5.508 -14.713 -3.239 1.00 23.12 H new ATOM 283 N TYR A 21 -5.718 -13.830 -0.389 1.00 62.21 N ATOM 284 CA TYR A 21 -6.209 -14.044 0.969 1.00 10.20 C ATOM 285 C TYR A 21 -5.804 -12.899 1.899 1.00 4.45 C ATOM 286 O TYR A 21 -4.892 -13.047 2.713 1.00 64.21 O ATOM 287 CB TYR A 21 -5.682 -15.369 1.531 1.00 61.50 C ATOM 288 CG TYR A 21 -6.202 -16.602 0.820 1.00 73.21 C ATOM 289 CD1 TYR A 21 -7.521 -17.002 0.975 1.00 11.11 C ATOM 290 CD2 TYR A 21 -5.370 -17.377 0.015 1.00 62.43 C ATOM 291 CE1 TYR A 21 -7.999 -18.133 0.352 1.00 44.33 C ATOM 292 CE2 TYR A 21 -5.845 -18.510 -0.611 1.00 2.43 C ATOM 293 CZ TYR A 21 -7.158 -18.884 -0.440 1.00 65.41 C ATOM 294 OH TYR A 21 -7.636 -20.013 -1.064 1.00 73.14 O ATOM 0 H TYR A 21 -4.750 -13.511 -0.439 1.00 62.21 H new ATOM 0 HA TYR A 21 -7.297 -14.079 0.918 1.00 10.20 H new ATOM 0 HB2 TYR A 21 -4.593 -15.365 1.477 1.00 61.50 H new ATOM 0 HB3 TYR A 21 -5.948 -15.434 2.586 1.00 61.50 H new ATOM 0 HD1 TYR A 21 -8.184 -16.417 1.595 1.00 11.11 H new ATOM 0 HD2 TYR A 21 -4.339 -17.086 -0.121 1.00 62.43 H new ATOM 0 HE1 TYR A 21 -9.029 -18.430 0.484 1.00 44.33 H new ATOM 0 HE2 TYR A 21 -5.189 -19.101 -1.233 1.00 2.43 H new ATOM 0 HH TYR A 21 -7.149 -20.155 -1.902 1.00 73.14 H new ATOM 304 N PRO A 22 -6.467 -11.734 1.787 1.00 33.03 N ATOM 305 CA PRO A 22 -6.230 -10.605 2.694 1.00 62.52 C ATOM 306 C PRO A 22 -6.893 -10.836 4.054 1.00 1.51 C ATOM 307 O PRO A 22 -6.495 -10.258 5.065 1.00 55.41 O ATOM 308 CB PRO A 22 -6.872 -9.424 1.955 1.00 44.14 C ATOM 309 CG PRO A 22 -7.970 -10.040 1.152 1.00 13.52 C ATOM 310 CD PRO A 22 -7.483 -11.414 0.760 1.00 34.34 C ATOM 0 HA PRO A 22 -5.174 -10.448 2.914 1.00 62.52 H new ATOM 0 HB2 PRO A 22 -7.259 -8.682 2.653 1.00 44.14 H new ATOM 0 HB3 PRO A 22 -6.150 -8.915 1.316 1.00 44.14 H new ATOM 0 HG2 PRO A 22 -8.889 -10.104 1.734 1.00 13.52 H new ATOM 0 HG3 PRO A 22 -8.192 -9.439 0.270 1.00 13.52 H new ATOM 0 HD2 PRO A 22 -8.295 -12.141 0.760 1.00 34.34 H new ATOM 0 HD3 PRO A 22 -7.054 -11.416 -0.242 1.00 34.34 H new ATOM 318 N GLU A 23 -7.908 -11.694 4.054 1.00 61.20 N ATOM 319 CA GLU A 23 -8.652 -12.041 5.264 1.00 14.11 C ATOM 320 C GLU A 23 -8.086 -13.308 5.910 1.00 1.14 C ATOM 321 O GLU A 23 -8.226 -13.522 7.117 1.00 3.25 O ATOM 322 CB GLU A 23 -10.133 -12.248 4.913 1.00 54.54 C ATOM 323 CG GLU A 23 -10.352 -13.225 3.760 1.00 45.01 C ATOM 324 CD GLU A 23 -11.819 -13.504 3.485 1.00 53.32 C ATOM 325 OE1 GLU A 23 -12.455 -12.719 2.750 1.00 44.43 O ATOM 326 OE2 GLU A 23 -12.338 -14.521 3.992 1.00 54.44 O ATOM 0 H GLU A 23 -8.240 -12.170 3.215 1.00 61.20 H new ATOM 0 HA GLU A 23 -8.556 -11.224 5.979 1.00 14.11 H new ATOM 0 HB2 GLU A 23 -10.660 -12.614 5.794 1.00 54.54 H new ATOM 0 HB3 GLU A 23 -10.575 -11.286 4.653 1.00 54.54 H new ATOM 0 HG2 GLU A 23 -9.890 -12.823 2.858 1.00 45.01 H new ATOM 0 HG3 GLU A 23 -9.846 -14.164 3.986 1.00 45.01 H new ATOM 333 N GLY A 24 -7.451 -14.146 5.095 1.00 55.34 N ATOM 334 CA GLY A 24 -6.904 -15.403 5.577 1.00 5.42 C ATOM 335 C GLY A 24 -7.366 -16.578 4.736 1.00 72.15 C ATOM 336 O GLY A 24 -8.326 -16.459 3.969 1.00 1.40 O ATOM 0 H GLY A 24 -7.305 -13.974 4.100 1.00 55.34 H new ATOM 0 HA2 GLY A 24 -5.815 -15.354 5.566 1.00 5.42 H new ATOM 0 HA3 GLY A 24 -7.205 -15.557 6.613 1.00 5.42 H new ATOM 340 N VAL A 25 -6.685 -17.709 4.871 1.00 31.52 N ATOM 341 CA VAL A 25 -7.014 -18.909 4.107 1.00 42.05 C ATOM 342 C VAL A 25 -7.701 -19.935 5.014 1.00 51.00 C ATOM 343 O VAL A 25 -7.212 -20.204 6.113 1.00 41.02 O ATOM 344 CB VAL A 25 -5.741 -19.565 3.500 1.00 71.20 C ATOM 345 CG1 VAL A 25 -6.088 -20.479 2.329 1.00 42.22 C ATOM 346 CG2 VAL A 25 -4.693 -18.524 3.115 1.00 50.32 C ATOM 0 H VAL A 25 -5.896 -17.822 5.507 1.00 31.52 H new ATOM 0 HA VAL A 25 -7.679 -18.608 3.297 1.00 42.05 H new ATOM 0 HB VAL A 25 -5.298 -20.188 4.277 1.00 71.20 H new ATOM 0 HG11 VAL A 25 -5.175 -20.920 1.929 1.00 42.22 H new ATOM 0 HG12 VAL A 25 -6.755 -21.271 2.671 1.00 42.22 H new ATOM 0 HG13 VAL A 25 -6.583 -19.900 1.549 1.00 42.22 H new ATOM 0 HG21 VAL A 25 -3.820 -19.024 2.695 1.00 50.32 H new ATOM 0 HG22 VAL A 25 -5.112 -17.843 2.374 1.00 50.32 H new ATOM 0 HG23 VAL A 25 -4.397 -17.961 4.000 1.00 50.32 H new ATOM 356 N PRO A 26 -8.841 -20.512 4.585 1.00 73.25 N ATOM 357 CA PRO A 26 -9.515 -21.577 5.340 1.00 54.21 C ATOM 358 C PRO A 26 -8.766 -22.911 5.217 1.00 64.34 C ATOM 359 O PRO A 26 -8.035 -23.127 4.249 1.00 2.12 O ATOM 360 CB PRO A 26 -10.898 -21.656 4.686 1.00 23.03 C ATOM 361 CG PRO A 26 -10.671 -21.208 3.282 1.00 64.34 C ATOM 362 CD PRO A 26 -9.573 -20.173 3.342 1.00 63.21 C ATOM 0 HA PRO A 26 -9.561 -21.372 6.410 1.00 54.21 H new ATOM 0 HB2 PRO A 26 -11.296 -22.670 4.720 1.00 23.03 H new ATOM 0 HB3 PRO A 26 -11.616 -21.014 5.197 1.00 23.03 H new ATOM 0 HG2 PRO A 26 -10.382 -22.046 2.648 1.00 64.34 H new ATOM 0 HG3 PRO A 26 -11.581 -20.786 2.856 1.00 64.34 H new ATOM 0 HD2 PRO A 26 -8.924 -20.226 2.468 1.00 63.21 H new ATOM 0 HD3 PRO A 26 -9.977 -19.161 3.378 1.00 63.21 H new ATOM 370 N GLY A 27 -8.963 -23.799 6.192 1.00 3.45 N ATOM 371 CA GLY A 27 -8.247 -25.075 6.239 1.00 3.53 C ATOM 372 C GLY A 27 -8.289 -25.864 4.930 1.00 40.15 C ATOM 373 O GLY A 27 -7.227 -26.213 4.381 1.00 54.14 O ATOM 0 H GLY A 27 -9.615 -23.657 6.963 1.00 3.45 H new ATOM 0 HA2 GLY A 27 -7.207 -24.886 6.503 1.00 3.53 H new ATOM 0 HA3 GLY A 27 -8.671 -25.688 7.034 1.00 3.53 H new ATOM 377 N PRO A 28 -9.507 -26.158 4.401 1.00 4.10 N ATOM 378 CA PRO A 28 -9.684 -26.933 3.156 1.00 31.40 C ATOM 379 C PRO A 28 -8.966 -26.308 1.958 1.00 1.42 C ATOM 380 O PRO A 28 -8.835 -26.938 0.907 1.00 5.10 O ATOM 381 CB PRO A 28 -11.207 -26.925 2.934 1.00 12.20 C ATOM 382 CG PRO A 28 -11.783 -26.688 4.287 1.00 51.25 C ATOM 383 CD PRO A 28 -10.813 -25.774 4.983 1.00 54.20 C ATOM 0 HA PRO A 28 -9.258 -27.932 3.246 1.00 31.40 H new ATOM 0 HB2 PRO A 28 -11.502 -26.142 2.235 1.00 12.20 H new ATOM 0 HB3 PRO A 28 -11.552 -27.871 2.517 1.00 12.20 H new ATOM 0 HG2 PRO A 28 -12.771 -26.233 4.218 1.00 51.25 H new ATOM 0 HG3 PRO A 28 -11.901 -27.624 4.833 1.00 51.25 H new ATOM 0 HD2 PRO A 28 -11.044 -24.725 4.797 1.00 54.20 H new ATOM 0 HD3 PRO A 28 -10.830 -25.917 6.063 1.00 54.20 H new ATOM 391 N ASP A 29 -8.530 -25.063 2.112 1.00 63.12 N ATOM 392 CA ASP A 29 -7.751 -24.383 1.080 1.00 75.13 C ATOM 393 C ASP A 29 -6.280 -24.311 1.489 1.00 41.35 C ATOM 394 O ASP A 29 -5.393 -24.374 0.642 1.00 20.04 O ATOM 395 CB ASP A 29 -8.305 -22.975 0.816 1.00 13.15 C ATOM 396 CG ASP A 29 -9.665 -22.998 0.129 1.00 11.41 C ATOM 397 OD1 ASP A 29 -10.629 -23.520 0.728 1.00 33.11 O ATOM 398 OD2 ASP A 29 -9.778 -22.508 -1.015 1.00 42.44 O ATOM 0 H ASP A 29 -8.703 -24.501 2.945 1.00 63.12 H new ATOM 0 HA ASP A 29 -7.830 -24.957 0.157 1.00 75.13 H new ATOM 0 HB2 ASP A 29 -8.389 -22.439 1.761 1.00 13.15 H new ATOM 0 HB3 ASP A 29 -7.599 -22.421 0.197 1.00 13.15 H new ATOM 403 N ARG A 30 -6.032 -24.212 2.797 1.00 54.40 N ATOM 404 CA ARG A 30 -4.670 -24.118 3.326 1.00 24.35 C ATOM 405 C ARG A 30 -3.869 -25.373 3.017 1.00 11.25 C ATOM 406 O ARG A 30 -2.779 -25.295 2.447 1.00 45.02 O ATOM 407 CB ARG A 30 -4.671 -23.884 4.846 1.00 44.21 C ATOM 408 CG ARG A 30 -5.106 -22.492 5.260 1.00 23.22 C ATOM 409 CD ARG A 30 -4.825 -22.210 6.731 1.00 3.15 C ATOM 410 NE ARG A 30 -5.467 -23.176 7.630 1.00 71.13 N ATOM 411 CZ ARG A 30 -6.520 -22.897 8.404 1.00 23.15 C ATOM 412 NH1 ARG A 30 -7.129 -21.721 8.309 1.00 65.41 N ATOM 413 NH2 ARG A 30 -6.981 -23.804 9.254 1.00 74.54 N ATOM 0 H ARG A 30 -6.760 -24.195 3.511 1.00 54.40 H new ATOM 0 HA ARG A 30 -4.202 -23.264 2.835 1.00 24.35 H new ATOM 0 HB2 ARG A 30 -5.332 -24.613 5.314 1.00 44.21 H new ATOM 0 HB3 ARG A 30 -3.668 -24.069 5.231 1.00 44.21 H new ATOM 0 HG2 ARG A 30 -4.589 -21.755 4.646 1.00 23.22 H new ATOM 0 HG3 ARG A 30 -6.172 -22.375 5.068 1.00 23.22 H new ATOM 0 HD2 ARG A 30 -3.748 -22.225 6.899 1.00 3.15 H new ATOM 0 HD3 ARG A 30 -5.172 -21.206 6.976 1.00 3.15 H new ATOM 0 HE ARG A 30 -5.085 -24.121 7.666 1.00 71.13 H new ATOM 0 HH11 ARG A 30 -6.794 -21.025 7.643 1.00 65.41 H new ATOM 0 HH12 ARG A 30 -7.932 -21.513 8.902 1.00 65.41 H new ATOM 0 HH21 ARG A 30 -6.532 -24.717 9.318 1.00 74.54 H new ATOM 0 HH22 ARG A 30 -7.785 -23.588 9.844 1.00 74.54 H new ATOM 427 N VAL A 31 -4.411 -26.534 3.393 1.00 12.44 N ATOM 428 CA VAL A 31 -3.666 -27.790 3.241 1.00 14.30 C ATOM 429 C VAL A 31 -3.260 -28.026 1.774 1.00 1.22 C ATOM 430 O VAL A 31 -2.089 -28.289 1.492 1.00 3.34 O ATOM 431 CB VAL A 31 -4.446 -29.018 3.784 1.00 3.35 C ATOM 432 CG1 VAL A 31 -3.590 -30.278 3.698 1.00 35.31 C ATOM 433 CG2 VAL A 31 -4.899 -28.795 5.223 1.00 61.25 C ATOM 0 H VAL A 31 -5.343 -26.633 3.797 1.00 12.44 H new ATOM 0 HA VAL A 31 -2.764 -27.683 3.844 1.00 14.30 H new ATOM 0 HB VAL A 31 -5.332 -29.147 3.162 1.00 3.35 H new ATOM 0 HG11 VAL A 31 -4.154 -31.128 4.083 1.00 35.31 H new ATOM 0 HG12 VAL A 31 -3.319 -30.463 2.659 1.00 35.31 H new ATOM 0 HG13 VAL A 31 -2.685 -30.144 4.291 1.00 35.31 H new ATOM 0 HG21 VAL A 31 -5.442 -29.673 5.574 1.00 61.25 H new ATOM 0 HG22 VAL A 31 -4.028 -28.630 5.857 1.00 61.25 H new ATOM 0 HG23 VAL A 31 -5.551 -27.923 5.268 1.00 61.25 H new ATOM 443 N PRO A 32 -4.205 -27.929 0.811 1.00 64.13 N ATOM 444 CA PRO A 32 -3.880 -28.064 -0.616 1.00 15.21 C ATOM 445 C PRO A 32 -3.015 -26.910 -1.136 1.00 21.04 C ATOM 446 O PRO A 32 -2.203 -27.107 -2.044 1.00 13.40 O ATOM 447 CB PRO A 32 -5.248 -28.077 -1.303 1.00 64.15 C ATOM 448 CG PRO A 32 -6.145 -27.362 -0.363 1.00 73.12 C ATOM 449 CD PRO A 32 -5.652 -27.710 1.014 1.00 53.53 C ATOM 0 HA PRO A 32 -3.290 -28.960 -0.812 1.00 15.21 H new ATOM 0 HB2 PRO A 32 -5.210 -27.578 -2.272 1.00 64.15 H new ATOM 0 HB3 PRO A 32 -5.592 -29.096 -1.482 1.00 64.15 H new ATOM 0 HG2 PRO A 32 -6.110 -26.286 -0.531 1.00 73.12 H new ATOM 0 HG3 PRO A 32 -7.181 -27.672 -0.498 1.00 73.12 H new ATOM 0 HD2 PRO A 32 -5.841 -26.905 1.724 1.00 53.53 H new ATOM 0 HD3 PRO A 32 -6.143 -28.602 1.404 1.00 53.53 H new ATOM 457 N LEU A 33 -3.196 -25.710 -0.572 1.00 51.45 N ATOM 458 CA LEU A 33 -2.385 -24.552 -0.958 1.00 71.25 C ATOM 459 C LEU A 33 -0.914 -24.870 -0.746 1.00 22.31 C ATOM 460 O LEU A 33 -0.087 -24.678 -1.642 1.00 14.43 O ATOM 461 CB LEU A 33 -2.790 -23.304 -0.137 1.00 44.31 C ATOM 462 CG LEU A 33 -2.143 -21.955 -0.539 1.00 71.04 C ATOM 463 CD1 LEU A 33 -0.720 -21.821 0.009 1.00 72.23 C ATOM 464 CD2 LEU A 33 -2.144 -21.785 -2.058 1.00 5.41 C ATOM 0 H LEU A 33 -3.892 -25.517 0.148 1.00 51.45 H new ATOM 0 HA LEU A 33 -2.558 -24.334 -2.012 1.00 71.25 H new ATOM 0 HB2 LEU A 33 -3.872 -23.193 -0.202 1.00 44.31 H new ATOM 0 HB3 LEU A 33 -2.551 -23.495 0.909 1.00 44.31 H new ATOM 0 HG LEU A 33 -2.746 -21.163 -0.095 1.00 71.04 H new ATOM 0 HD11 LEU A 33 -0.302 -20.861 -0.295 1.00 72.23 H new ATOM 0 HD12 LEU A 33 -0.742 -21.879 1.097 1.00 72.23 H new ATOM 0 HD13 LEU A 33 -0.101 -22.627 -0.384 1.00 72.23 H new ATOM 0 HD21 LEU A 33 -1.685 -20.831 -2.318 1.00 5.41 H new ATOM 0 HD22 LEU A 33 -1.578 -22.596 -2.515 1.00 5.41 H new ATOM 0 HD23 LEU A 33 -3.170 -21.806 -2.426 1.00 5.41 H new ATOM 476 N LEU A 34 -0.601 -25.381 0.436 1.00 52.24 N ATOM 477 CA LEU A 34 0.764 -25.753 0.766 1.00 54.12 C ATOM 478 C LEU A 34 1.194 -26.976 -0.019 1.00 50.24 C ATOM 479 O LEU A 34 2.333 -27.054 -0.469 1.00 13.00 O ATOM 480 CB LEU A 34 0.923 -26.009 2.268 1.00 2.21 C ATOM 481 CG LEU A 34 1.343 -24.789 3.099 1.00 0.45 C ATOM 482 CD1 LEU A 34 2.703 -24.273 2.633 1.00 63.44 C ATOM 483 CD2 LEU A 34 0.286 -23.688 3.025 1.00 74.02 C ATOM 0 H LEU A 34 -1.276 -25.547 1.182 1.00 52.24 H new ATOM 0 HA LEU A 34 1.407 -24.917 0.492 1.00 54.12 H new ATOM 0 HB2 LEU A 34 -0.023 -26.386 2.658 1.00 2.21 H new ATOM 0 HB3 LEU A 34 1.663 -26.797 2.410 1.00 2.21 H new ATOM 0 HG LEU A 34 1.430 -25.096 4.141 1.00 0.45 H new ATOM 0 HD11 LEU A 34 2.988 -23.408 3.231 1.00 63.44 H new ATOM 0 HD12 LEU A 34 3.450 -25.058 2.751 1.00 63.44 H new ATOM 0 HD13 LEU A 34 2.643 -23.985 1.584 1.00 63.44 H new ATOM 0 HD21 LEU A 34 0.607 -22.835 3.622 1.00 74.02 H new ATOM 0 HD22 LEU A 34 0.156 -23.377 1.988 1.00 74.02 H new ATOM 0 HD23 LEU A 34 -0.660 -24.066 3.412 1.00 74.02 H new ATOM 495 N ALA A 35 0.283 -27.932 -0.178 1.00 22.33 N ATOM 496 CA ALA A 35 0.583 -29.142 -0.933 1.00 2.14 C ATOM 497 C ALA A 35 1.104 -28.782 -2.322 1.00 71.13 C ATOM 498 O ALA A 35 2.087 -29.346 -2.798 1.00 71.44 O ATOM 499 CB ALA A 35 -0.652 -30.034 -1.029 1.00 72.12 C ATOM 0 H ALA A 35 -0.662 -27.892 0.203 1.00 22.33 H new ATOM 0 HA ALA A 35 1.360 -29.698 -0.408 1.00 2.14 H new ATOM 0 HB1 ALA A 35 -0.409 -30.932 -1.596 1.00 72.12 H new ATOM 0 HB2 ALA A 35 -0.977 -30.314 -0.027 1.00 72.12 H new ATOM 0 HB3 ALA A 35 -1.453 -29.493 -1.532 1.00 72.12 H new ATOM 505 N LEU A 36 0.429 -27.830 -2.953 1.00 60.32 N ATOM 506 CA LEU A 36 0.809 -27.330 -4.270 1.00 5.22 C ATOM 507 C LEU A 36 2.093 -26.491 -4.186 1.00 32.42 C ATOM 508 O LEU A 36 3.022 -26.669 -4.978 1.00 24.53 O ATOM 509 CB LEU A 36 -0.376 -26.517 -4.845 1.00 43.41 C ATOM 510 CG LEU A 36 -0.271 -26.033 -6.308 1.00 11.12 C ATOM 511 CD1 LEU A 36 0.631 -24.808 -6.429 1.00 3.22 C ATOM 512 CD2 LEU A 36 0.218 -27.159 -7.220 1.00 70.30 C ATOM 0 H LEU A 36 -0.401 -27.381 -2.565 1.00 60.32 H new ATOM 0 HA LEU A 36 1.026 -28.162 -4.939 1.00 5.22 H new ATOM 0 HB2 LEU A 36 -1.275 -27.127 -4.757 1.00 43.41 H new ATOM 0 HB3 LEU A 36 -0.521 -25.642 -4.212 1.00 43.41 H new ATOM 0 HG LEU A 36 -1.270 -25.740 -6.630 1.00 11.12 H new ATOM 0 HD11 LEU A 36 0.682 -24.495 -7.472 1.00 3.22 H new ATOM 0 HD12 LEU A 36 0.225 -23.996 -5.826 1.00 3.22 H new ATOM 0 HD13 LEU A 36 1.632 -25.057 -6.076 1.00 3.22 H new ATOM 0 HD21 LEU A 36 0.284 -26.794 -8.245 1.00 70.30 H new ATOM 0 HD22 LEU A 36 1.201 -27.493 -6.890 1.00 70.30 H new ATOM 0 HD23 LEU A 36 -0.482 -27.993 -7.176 1.00 70.30 H new ATOM 524 N LEU A 37 2.133 -25.590 -3.209 1.00 22.00 N ATOM 525 CA LEU A 37 3.218 -24.615 -3.066 1.00 0.21 C ATOM 526 C LEU A 37 4.569 -25.292 -2.791 1.00 50.35 C ATOM 527 O LEU A 37 5.548 -25.059 -3.505 1.00 73.01 O ATOM 528 CB LEU A 37 2.852 -23.621 -1.939 1.00 72.43 C ATOM 529 CG LEU A 37 3.804 -22.423 -1.725 1.00 43.44 C ATOM 530 CD1 LEU A 37 3.071 -21.277 -1.031 1.00 4.05 C ATOM 531 CD2 LEU A 37 5.033 -22.825 -0.902 1.00 24.13 C ATOM 0 H LEU A 37 1.413 -25.512 -2.490 1.00 22.00 H new ATOM 0 HA LEU A 37 3.331 -24.077 -4.007 1.00 0.21 H new ATOM 0 HB2 LEU A 37 1.855 -23.230 -2.143 1.00 72.43 H new ATOM 0 HB3 LEU A 37 2.791 -24.177 -1.003 1.00 72.43 H new ATOM 0 HG LEU A 37 4.143 -22.092 -2.707 1.00 43.44 H new ATOM 0 HD11 LEU A 37 3.756 -20.441 -0.888 1.00 4.05 H new ATOM 0 HD12 LEU A 37 2.231 -20.956 -1.647 1.00 4.05 H new ATOM 0 HD13 LEU A 37 2.703 -21.614 -0.062 1.00 4.05 H new ATOM 0 HD21 LEU A 37 5.682 -21.959 -0.770 1.00 24.13 H new ATOM 0 HD22 LEU A 37 4.714 -23.191 0.074 1.00 24.13 H new ATOM 0 HD23 LEU A 37 5.579 -23.611 -1.424 1.00 24.13 H new ATOM 543 N THR A 38 4.602 -26.149 -1.774 1.00 10.21 N ATOM 544 CA THR A 38 5.859 -26.710 -1.263 1.00 5.04 C ATOM 545 C THR A 38 6.529 -27.647 -2.264 1.00 62.54 C ATOM 546 O THR A 38 7.673 -28.062 -2.059 1.00 50.11 O ATOM 547 CB THR A 38 5.641 -27.467 0.069 1.00 61.23 C ATOM 548 OG1 THR A 38 4.681 -28.521 -0.107 1.00 1.52 O ATOM 549 CG2 THR A 38 5.169 -26.525 1.172 1.00 31.33 C ATOM 0 H THR A 38 3.770 -26.474 -1.282 1.00 10.21 H new ATOM 0 HA THR A 38 6.518 -25.858 -1.094 1.00 5.04 H new ATOM 0 HB THR A 38 6.599 -27.894 0.367 1.00 61.23 H new ATOM 0 HG1 THR A 38 3.811 -28.135 -0.340 1.00 1.52 H new ATOM 0 HG21 THR A 38 5.025 -27.088 2.094 1.00 31.33 H new ATOM 0 HG22 THR A 38 5.918 -25.749 1.333 1.00 31.33 H new ATOM 0 HG23 THR A 38 4.226 -26.064 0.878 1.00 31.33 H new ATOM 557 N ARG A 39 5.819 -27.987 -3.338 1.00 14.25 N ATOM 558 CA ARG A 39 6.357 -28.883 -4.355 1.00 24.04 C ATOM 559 C ARG A 39 7.694 -28.365 -4.892 1.00 71.34 C ATOM 560 O ARG A 39 8.690 -29.091 -4.919 1.00 72.22 O ATOM 561 CB ARG A 39 5.352 -29.048 -5.505 1.00 54.52 C ATOM 562 CG ARG A 39 4.054 -29.736 -5.091 1.00 31.23 C ATOM 563 CD ARG A 39 3.123 -29.970 -6.277 1.00 22.04 C ATOM 564 NE ARG A 39 3.710 -30.878 -7.265 1.00 23.20 N ATOM 565 CZ ARG A 39 3.122 -31.233 -8.410 1.00 2.41 C ATOM 566 NH1 ARG A 39 1.928 -30.749 -8.737 1.00 33.22 N ATOM 567 NH2 ARG A 39 3.728 -32.082 -9.227 1.00 12.20 N ATOM 0 H ARG A 39 4.873 -27.656 -3.525 1.00 14.25 H new ATOM 0 HA ARG A 39 6.529 -29.855 -3.893 1.00 24.04 H new ATOM 0 HB2 ARG A 39 5.118 -28.066 -5.915 1.00 54.52 H new ATOM 0 HB3 ARG A 39 5.819 -29.623 -6.304 1.00 54.52 H new ATOM 0 HG2 ARG A 39 4.285 -30.691 -4.619 1.00 31.23 H new ATOM 0 HG3 ARG A 39 3.544 -29.127 -4.345 1.00 31.23 H new ATOM 0 HD2 ARG A 39 2.179 -30.383 -5.921 1.00 22.04 H new ATOM 0 HD3 ARG A 39 2.894 -29.016 -6.752 1.00 22.04 H new ATOM 0 HE ARG A 39 4.632 -31.266 -7.064 1.00 23.20 H new ATOM 0 HH11 ARG A 39 1.452 -30.100 -8.111 1.00 33.22 H new ATOM 0 HH12 ARG A 39 1.488 -31.027 -9.614 1.00 33.22 H new ATOM 0 HH21 ARG A 39 4.642 -32.463 -8.981 1.00 12.20 H new ATOM 0 HH22 ARG A 39 3.281 -32.355 -10.102 1.00 12.20 H new ATOM 581 N ARG A 40 7.715 -27.101 -5.309 1.00 53.35 N ATOM 582 CA ARG A 40 8.904 -26.511 -5.906 1.00 42.31 C ATOM 583 C ARG A 40 9.671 -25.618 -4.926 1.00 74.53 C ATOM 584 O ARG A 40 10.901 -25.660 -4.893 1.00 12.24 O ATOM 585 CB ARG A 40 8.496 -25.743 -7.161 1.00 64.35 C ATOM 586 CG ARG A 40 7.923 -26.656 -8.241 1.00 51.10 C ATOM 587 CD ARG A 40 7.378 -25.874 -9.421 1.00 53.50 C ATOM 588 NE ARG A 40 7.172 -26.731 -10.593 1.00 44.33 N ATOM 589 CZ ARG A 40 7.113 -26.287 -11.852 1.00 71.12 C ATOM 590 NH1 ARG A 40 7.257 -24.998 -12.122 1.00 73.41 N ATOM 591 NH2 ARG A 40 6.926 -27.151 -12.840 1.00 72.30 N ATOM 0 H ARG A 40 6.919 -26.467 -5.243 1.00 53.35 H new ATOM 0 HA ARG A 40 9.591 -27.313 -6.175 1.00 42.31 H new ATOM 0 HB2 ARG A 40 7.756 -24.988 -6.897 1.00 64.35 H new ATOM 0 HB3 ARG A 40 9.363 -25.214 -7.558 1.00 64.35 H new ATOM 0 HG2 ARG A 40 8.699 -27.339 -8.587 1.00 51.10 H new ATOM 0 HG3 ARG A 40 7.128 -27.267 -7.814 1.00 51.10 H new ATOM 0 HD2 ARG A 40 6.434 -25.406 -9.142 1.00 53.50 H new ATOM 0 HD3 ARG A 40 8.069 -25.070 -9.675 1.00 53.50 H new ATOM 0 HE ARG A 40 7.067 -27.733 -10.437 1.00 44.33 H new ATOM 0 HH11 ARG A 40 7.415 -24.333 -11.365 1.00 73.41 H new ATOM 0 HH12 ARG A 40 7.210 -24.671 -13.087 1.00 73.41 H new ATOM 0 HH21 ARG A 40 6.828 -28.146 -12.636 1.00 72.30 H new ATOM 0 HH22 ARG A 40 6.880 -26.821 -13.804 1.00 72.30 H new ATOM 605 N LEU A 41 8.956 -24.825 -4.122 1.00 34.24 N ATOM 606 CA LEU A 41 9.614 -23.935 -3.159 1.00 61.12 C ATOM 607 C LEU A 41 10.347 -24.741 -2.088 1.00 73.41 C ATOM 608 O LEU A 41 9.841 -25.754 -1.606 1.00 54.35 O ATOM 609 CB LEU A 41 8.618 -22.980 -2.477 1.00 3.20 C ATOM 610 CG LEU A 41 8.116 -21.807 -3.339 1.00 25.42 C ATOM 611 CD1 LEU A 41 7.046 -22.271 -4.318 1.00 35.11 C ATOM 612 CD2 LEU A 41 7.593 -20.675 -2.456 1.00 65.23 C ATOM 0 H LEU A 41 7.937 -24.780 -4.117 1.00 34.24 H new ATOM 0 HA LEU A 41 10.329 -23.338 -3.725 1.00 61.12 H new ATOM 0 HB2 LEU A 41 7.755 -23.559 -2.148 1.00 3.20 H new ATOM 0 HB3 LEU A 41 9.089 -22.573 -1.582 1.00 3.20 H new ATOM 0 HG LEU A 41 8.957 -21.426 -3.918 1.00 25.42 H new ATOM 0 HD11 LEU A 41 6.708 -21.424 -4.915 1.00 35.11 H new ATOM 0 HD12 LEU A 41 7.461 -23.036 -4.975 1.00 35.11 H new ATOM 0 HD13 LEU A 41 6.203 -22.686 -3.766 1.00 35.11 H new ATOM 0 HD21 LEU A 41 7.243 -19.856 -3.084 1.00 65.23 H new ATOM 0 HD22 LEU A 41 6.768 -21.042 -1.845 1.00 65.23 H new ATOM 0 HD23 LEU A 41 8.394 -20.319 -1.808 1.00 65.23 H new ATOM 624 N THR A 42 11.535 -24.275 -1.726 1.00 74.31 N ATOM 625 CA THR A 42 12.335 -24.915 -0.691 1.00 41.11 C ATOM 626 C THR A 42 11.729 -24.665 0.688 1.00 41.00 C ATOM 627 O THR A 42 10.907 -23.755 0.860 1.00 32.31 O ATOM 628 CB THR A 42 13.785 -24.379 -0.711 1.00 51.30 C ATOM 629 OG1 THR A 42 13.784 -22.970 -0.438 1.00 51.23 O ATOM 630 CG2 THR A 42 14.439 -24.626 -2.062 1.00 74.30 C ATOM 0 H THR A 42 11.969 -23.449 -2.138 1.00 74.31 H new ATOM 0 HA THR A 42 12.344 -25.986 -0.893 1.00 41.11 H new ATOM 0 HB THR A 42 14.353 -24.907 0.054 1.00 51.30 H new ATOM 0 HG1 THR A 42 14.704 -22.634 -0.450 1.00 51.23 H new ATOM 0 HG21 THR A 42 15.458 -24.239 -2.049 1.00 74.30 H new ATOM 0 HG22 THR A 42 14.460 -25.697 -2.266 1.00 74.30 H new ATOM 0 HG23 THR A 42 13.869 -24.119 -2.840 1.00 74.30 H new ATOM 638 N ASN A 43 12.136 -25.463 1.675 1.00 61.44 N ATOM 639 CA ASN A 43 11.670 -25.276 3.048 1.00 23.11 C ATOM 640 C ASN A 43 12.093 -23.900 3.560 1.00 72.30 C ATOM 641 O ASN A 43 11.348 -23.231 4.281 1.00 71.12 O ATOM 642 CB ASN A 43 12.205 -26.378 3.977 1.00 34.35 C ATOM 643 CG ASN A 43 11.690 -27.774 3.634 1.00 3.52 C ATOM 644 OD1 ASN A 43 10.511 -27.864 3.032 1.00 54.24 O flip ATOM 645 ND2 ASN A 43 12.358 -28.772 3.903 1.00 61.42 N flip ATOM 0 H ASN A 43 12.784 -26.241 1.550 1.00 61.44 H new ATOM 0 HA ASN A 43 10.582 -25.340 3.048 1.00 23.11 H new ATOM 0 HB2 ASN A 43 13.294 -26.381 3.933 1.00 34.35 H new ATOM 0 HB3 ASN A 43 11.929 -26.141 5.004 1.00 34.35 H new ATOM 0 HD21 ASN A 43 13.261 -28.672 4.366 1.00 61.42 H new ATOM 0 HD22 ASN A 43 12.009 -29.700 3.663 1.00 61.42 H new ATOM 652 N ASP A 44 13.287 -23.476 3.156 1.00 0.21 N ATOM 653 CA ASP A 44 13.803 -22.163 3.525 1.00 22.12 C ATOM 654 C ASP A 44 12.891 -21.058 2.998 1.00 42.40 C ATOM 655 O ASP A 44 12.587 -20.098 3.710 1.00 60.34 O ATOM 656 CB ASP A 44 15.225 -21.969 2.978 1.00 1.30 C ATOM 657 CG ASP A 44 15.802 -20.602 3.322 1.00 22.22 C ATOM 658 OD1 ASP A 44 16.079 -20.355 4.515 1.00 41.24 O ATOM 659 OD2 ASP A 44 15.985 -19.767 2.406 1.00 4.40 O ATOM 0 H ASP A 44 13.917 -24.025 2.571 1.00 0.21 H new ATOM 0 HA ASP A 44 13.832 -22.106 4.613 1.00 22.12 H new ATOM 0 HB2 ASP A 44 15.875 -22.746 3.381 1.00 1.30 H new ATOM 0 HB3 ASP A 44 15.214 -22.093 1.895 1.00 1.30 H new ATOM 664 N GLU A 45 12.451 -21.209 1.751 1.00 2.43 N ATOM 665 CA GLU A 45 11.588 -20.222 1.116 1.00 12.41 C ATOM 666 C GLU A 45 10.203 -20.179 1.766 1.00 74.32 C ATOM 667 O GLU A 45 9.735 -19.107 2.168 1.00 52.21 O ATOM 668 CB GLU A 45 11.486 -20.505 -0.387 1.00 10.44 C ATOM 669 CG GLU A 45 12.776 -20.188 -1.134 1.00 2.34 C ATOM 670 CD GLU A 45 12.726 -20.570 -2.601 1.00 2.35 C ATOM 671 OE1 GLU A 45 12.546 -21.769 -2.892 1.00 35.01 O ATOM 672 OE2 GLU A 45 12.887 -19.675 -3.459 1.00 64.14 O ATOM 0 H GLU A 45 12.680 -22.009 1.161 1.00 2.43 H new ATOM 0 HA GLU A 45 12.035 -19.238 1.258 1.00 12.41 H new ATOM 0 HB2 GLU A 45 11.232 -21.554 -0.539 1.00 10.44 H new ATOM 0 HB3 GLU A 45 10.672 -19.915 -0.809 1.00 10.44 H new ATOM 0 HG2 GLU A 45 12.984 -19.121 -1.050 1.00 2.34 H new ATOM 0 HG3 GLU A 45 13.603 -20.713 -0.656 1.00 2.34 H new ATOM 679 N ILE A 46 9.548 -21.335 1.887 1.00 40.25 N ATOM 680 CA ILE A 46 8.221 -21.386 2.504 1.00 2.42 C ATOM 681 C ILE A 46 8.279 -20.776 3.909 1.00 23.22 C ATOM 682 O ILE A 46 7.386 -20.022 4.300 1.00 2.24 O ATOM 683 CB ILE A 46 7.637 -22.835 2.535 1.00 34.32 C ATOM 684 CG1 ILE A 46 6.236 -22.882 3.191 1.00 14.42 C ATOM 685 CG2 ILE A 46 8.583 -23.800 3.236 1.00 60.40 C ATOM 686 CD1 ILE A 46 6.237 -22.928 4.716 1.00 5.20 C ATOM 0 H ILE A 46 9.908 -22.236 1.571 1.00 40.25 H new ATOM 0 HA ILE A 46 7.541 -20.796 1.890 1.00 2.42 H new ATOM 0 HB ILE A 46 7.529 -23.151 1.497 1.00 34.32 H new ATOM 0 HG12 ILE A 46 5.672 -22.006 2.870 1.00 14.42 H new ATOM 0 HG13 ILE A 46 5.706 -23.758 2.817 1.00 14.42 H new ATOM 0 HG21 ILE A 46 8.147 -24.799 3.240 1.00 60.40 H new ATOM 0 HG22 ILE A 46 9.536 -23.823 2.708 1.00 60.40 H new ATOM 0 HG23 ILE A 46 8.744 -23.470 4.262 1.00 60.40 H new ATOM 0 HD11 ILE A 46 5.210 -22.959 5.080 1.00 5.20 H new ATOM 0 HD12 ILE A 46 6.768 -23.818 5.053 1.00 5.20 H new ATOM 0 HD13 ILE A 46 6.734 -22.040 5.106 1.00 5.20 H new ATOM 698 N LYS A 47 9.336 -21.093 4.661 1.00 61.14 N ATOM 699 CA LYS A 47 9.540 -20.484 5.976 1.00 33.02 C ATOM 700 C LYS A 47 9.718 -18.976 5.854 1.00 44.41 C ATOM 701 O LYS A 47 9.124 -18.216 6.615 1.00 14.11 O ATOM 702 CB LYS A 47 10.757 -21.077 6.694 1.00 63.24 C ATOM 703 CG LYS A 47 10.547 -22.491 7.216 1.00 43.11 C ATOM 704 CD LYS A 47 11.659 -22.891 8.183 1.00 45.04 C ATOM 705 CE LYS A 47 11.471 -24.303 8.717 1.00 73.15 C ATOM 706 NZ LYS A 47 12.475 -24.640 9.760 1.00 75.33 N ATOM 0 H LYS A 47 10.056 -21.761 4.385 1.00 61.14 H new ATOM 0 HA LYS A 47 8.649 -20.700 6.565 1.00 33.02 H new ATOM 0 HB2 LYS A 47 11.604 -21.077 6.009 1.00 63.24 H new ATOM 0 HB3 LYS A 47 11.023 -20.429 7.529 1.00 63.24 H new ATOM 0 HG2 LYS A 47 9.582 -22.557 7.719 1.00 43.11 H new ATOM 0 HG3 LYS A 47 10.519 -23.190 6.380 1.00 43.11 H new ATOM 0 HD2 LYS A 47 12.622 -22.820 7.677 1.00 45.04 H new ATOM 0 HD3 LYS A 47 11.684 -22.189 9.016 1.00 45.04 H new ATOM 0 HE2 LYS A 47 10.468 -24.403 9.133 1.00 73.15 H new ATOM 0 HE3 LYS A 47 11.548 -25.015 7.895 1.00 73.15 H new ATOM 0 HZ1 LYS A 47 12.312 -25.610 10.098 1.00 75.33 H new ATOM 0 HZ2 LYS A 47 13.431 -24.569 9.357 1.00 75.33 H new ATOM 0 HZ3 LYS A 47 12.385 -23.977 10.556 1.00 75.33 H new ATOM 720 N ALA A 48 10.540 -18.554 4.894 1.00 32.32 N ATOM 721 CA ALA A 48 10.800 -17.131 4.673 1.00 3.50 C ATOM 722 C ALA A 48 9.488 -16.375 4.477 1.00 23.32 C ATOM 723 O ALA A 48 9.344 -15.234 4.925 1.00 52.32 O ATOM 724 CB ALA A 48 11.728 -16.935 3.478 1.00 43.35 C ATOM 0 H ALA A 48 11.037 -19.176 4.257 1.00 32.32 H new ATOM 0 HA ALA A 48 11.297 -16.727 5.555 1.00 3.50 H new ATOM 0 HB1 ALA A 48 11.910 -15.871 3.329 1.00 43.35 H new ATOM 0 HB2 ALA A 48 12.675 -17.442 3.665 1.00 43.35 H new ATOM 0 HB3 ALA A 48 11.264 -17.352 2.584 1.00 43.35 H new ATOM 730 N ILE A 49 8.530 -17.032 3.825 1.00 73.51 N ATOM 731 CA ILE A 49 7.190 -16.473 3.658 1.00 11.34 C ATOM 732 C ILE A 49 6.546 -16.218 5.019 1.00 32.52 C ATOM 733 O ILE A 49 5.969 -15.154 5.257 1.00 25.45 O ATOM 734 CB ILE A 49 6.283 -17.411 2.818 1.00 75.31 C ATOM 735 CG1 ILE A 49 6.908 -17.648 1.435 1.00 71.25 C ATOM 736 CG2 ILE A 49 4.876 -16.827 2.677 1.00 22.32 C ATOM 737 CD1 ILE A 49 7.172 -16.371 0.665 1.00 74.30 C ATOM 0 H ILE A 49 8.657 -17.952 3.404 1.00 73.51 H new ATOM 0 HA ILE A 49 7.293 -15.529 3.123 1.00 11.34 H new ATOM 0 HB ILE A 49 6.201 -18.366 3.336 1.00 75.31 H new ATOM 0 HG12 ILE A 49 7.846 -18.190 1.557 1.00 71.25 H new ATOM 0 HG13 ILE A 49 6.245 -18.285 0.850 1.00 71.25 H new ATOM 0 HG21 ILE A 49 4.259 -17.503 2.084 1.00 22.32 H new ATOM 0 HG22 ILE A 49 4.433 -16.704 3.665 1.00 22.32 H new ATOM 0 HG23 ILE A 49 4.932 -15.858 2.181 1.00 22.32 H new ATOM 0 HD11 ILE A 49 7.613 -16.614 -0.302 1.00 74.30 H new ATOM 0 HD12 ILE A 49 6.234 -15.838 0.512 1.00 74.30 H new ATOM 0 HD13 ILE A 49 7.859 -15.741 1.230 1.00 74.30 H new ATOM 749 N ALA A 50 6.684 -17.183 5.922 1.00 21.02 N ATOM 750 CA ALA A 50 6.114 -17.072 7.262 1.00 1.35 C ATOM 751 C ALA A 50 6.789 -15.937 8.015 1.00 3.30 C ATOM 752 O ALA A 50 6.129 -15.068 8.581 1.00 40.12 O ATOM 753 CB ALA A 50 6.287 -18.381 8.020 1.00 61.30 C ATOM 0 H ALA A 50 7.187 -18.054 5.750 1.00 21.02 H new ATOM 0 HA ALA A 50 5.048 -16.859 7.177 1.00 1.35 H new ATOM 0 HB1 ALA A 50 5.858 -18.284 9.017 1.00 61.30 H new ATOM 0 HB2 ALA A 50 5.779 -19.182 7.483 1.00 61.30 H new ATOM 0 HB3 ALA A 50 7.348 -18.616 8.103 1.00 61.30 H new ATOM 759 N GLU A 51 8.113 -15.951 7.971 1.00 14.35 N ATOM 760 CA GLU A 51 8.950 -14.968 8.648 1.00 45.45 C ATOM 761 C GLU A 51 8.606 -13.547 8.188 1.00 61.23 C ATOM 762 O GLU A 51 8.659 -12.592 8.970 1.00 40.34 O ATOM 763 CB GLU A 51 10.423 -15.294 8.355 1.00 4.25 C ATOM 764 CG GLU A 51 10.816 -16.715 8.763 1.00 61.30 C ATOM 765 CD GLU A 51 10.986 -16.866 10.266 1.00 30.31 C ATOM 766 OE1 GLU A 51 12.041 -16.452 10.792 1.00 71.15 O ATOM 767 OE2 GLU A 51 10.067 -17.390 10.926 1.00 71.41 O ATOM 0 H GLU A 51 8.644 -16.654 7.458 1.00 14.35 H new ATOM 0 HA GLU A 51 8.770 -15.014 9.722 1.00 45.45 H new ATOM 0 HB2 GLU A 51 10.613 -15.163 7.290 1.00 4.25 H new ATOM 0 HB3 GLU A 51 11.058 -14.582 8.882 1.00 4.25 H new ATOM 0 HG2 GLU A 51 10.054 -17.413 8.415 1.00 61.30 H new ATOM 0 HG3 GLU A 51 11.747 -16.987 8.267 1.00 61.30 H new ATOM 774 N ASP A 52 8.255 -13.412 6.915 1.00 54.12 N ATOM 775 CA ASP A 52 7.878 -12.117 6.356 1.00 62.53 C ATOM 776 C ASP A 52 6.465 -11.727 6.801 1.00 5.34 C ATOM 777 O ASP A 52 6.243 -10.628 7.315 1.00 13.14 O ATOM 778 CB ASP A 52 7.972 -12.147 4.825 1.00 51.25 C ATOM 779 CG ASP A 52 7.925 -10.759 4.201 1.00 13.15 C ATOM 780 OD1 ASP A 52 8.902 -9.988 4.370 1.00 55.20 O ATOM 781 OD2 ASP A 52 6.920 -10.431 3.537 1.00 61.55 O ATOM 0 H ASP A 52 8.223 -14.184 6.249 1.00 54.12 H new ATOM 0 HA ASP A 52 8.573 -11.365 6.730 1.00 62.53 H new ATOM 0 HB2 ASP A 52 8.899 -12.640 4.533 1.00 51.25 H new ATOM 0 HB3 ASP A 52 7.153 -12.746 4.427 1.00 51.25 H new ATOM 786 N LEU A 53 5.526 -12.658 6.632 1.00 34.00 N ATOM 787 CA LEU A 53 4.104 -12.404 6.888 1.00 31.15 C ATOM 788 C LEU A 53 3.805 -12.152 8.367 1.00 63.44 C ATOM 789 O LEU A 53 2.992 -11.288 8.691 1.00 24.44 O ATOM 790 CB LEU A 53 3.255 -13.584 6.398 1.00 23.10 C ATOM 791 CG LEU A 53 3.230 -13.795 4.872 1.00 30.23 C ATOM 792 CD1 LEU A 53 2.369 -15.002 4.509 1.00 73.53 C ATOM 793 CD2 LEU A 53 2.727 -12.541 4.159 1.00 2.44 C ATOM 0 H LEU A 53 5.726 -13.607 6.315 1.00 34.00 H new ATOM 0 HA LEU A 53 3.847 -11.499 6.338 1.00 31.15 H new ATOM 0 HB2 LEU A 53 3.626 -14.495 6.867 1.00 23.10 H new ATOM 0 HB3 LEU A 53 2.231 -13.441 6.744 1.00 23.10 H new ATOM 0 HG LEU A 53 4.250 -13.989 4.540 1.00 30.23 H new ATOM 0 HD11 LEU A 53 2.365 -15.134 3.427 1.00 73.53 H new ATOM 0 HD12 LEU A 53 2.777 -15.895 4.982 1.00 73.53 H new ATOM 0 HD13 LEU A 53 1.349 -14.840 4.859 1.00 73.53 H new ATOM 0 HD21 LEU A 53 2.718 -12.713 3.083 1.00 2.44 H new ATOM 0 HD22 LEU A 53 1.717 -12.310 4.498 1.00 2.44 H new ATOM 0 HD23 LEU A 53 3.387 -11.704 4.387 1.00 2.44 H new ATOM 805 N GLU A 54 4.470 -12.890 9.256 1.00 42.35 N ATOM 806 CA GLU A 54 4.155 -12.849 10.691 1.00 71.35 C ATOM 807 C GLU A 54 4.250 -11.428 11.250 1.00 51.43 C ATOM 808 O GLU A 54 3.560 -11.086 12.208 1.00 2.04 O ATOM 809 CB GLU A 54 5.087 -13.776 11.481 1.00 71.34 C ATOM 810 CG GLU A 54 6.568 -13.543 11.195 1.00 45.42 C ATOM 811 CD GLU A 54 7.457 -13.778 12.405 1.00 2.40 C ATOM 812 OE1 GLU A 54 7.380 -14.871 13.004 1.00 1.20 O ATOM 813 OE2 GLU A 54 8.242 -12.872 12.757 1.00 25.13 O ATOM 0 H GLU A 54 5.230 -13.524 9.012 1.00 42.35 H new ATOM 0 HA GLU A 54 3.127 -13.194 10.802 1.00 71.35 H new ATOM 0 HB2 GLU A 54 4.905 -13.637 12.547 1.00 71.34 H new ATOM 0 HB3 GLU A 54 4.839 -14.811 11.247 1.00 71.34 H new ATOM 0 HG2 GLU A 54 6.883 -14.203 10.387 1.00 45.42 H new ATOM 0 HG3 GLU A 54 6.707 -12.521 10.844 1.00 45.42 H new ATOM 820 N LYS A 55 5.098 -10.605 10.643 1.00 30.13 N ATOM 821 CA LYS A 55 5.274 -9.225 11.090 1.00 60.30 C ATOM 822 C LYS A 55 4.022 -8.395 10.792 1.00 11.44 C ATOM 823 O LYS A 55 3.716 -7.441 11.510 1.00 63.12 O ATOM 824 CB LYS A 55 6.510 -8.601 10.430 1.00 20.00 C ATOM 825 CG LYS A 55 7.822 -9.267 10.847 1.00 21.43 C ATOM 826 CD LYS A 55 9.037 -8.574 10.234 1.00 14.14 C ATOM 827 CE LYS A 55 9.105 -8.759 8.720 1.00 75.02 C ATOM 828 NZ LYS A 55 9.401 -10.164 8.343 1.00 63.03 N ATOM 0 H LYS A 55 5.673 -10.867 9.842 1.00 30.13 H new ATOM 0 HA LYS A 55 5.427 -9.230 12.169 1.00 60.30 H new ATOM 0 HB2 LYS A 55 6.406 -8.666 9.347 1.00 20.00 H new ATOM 0 HB3 LYS A 55 6.552 -7.542 10.683 1.00 20.00 H new ATOM 0 HG2 LYS A 55 7.906 -9.252 11.934 1.00 21.43 H new ATOM 0 HG3 LYS A 55 7.810 -10.314 10.542 1.00 21.43 H new ATOM 0 HD2 LYS A 55 9.002 -7.510 10.467 1.00 14.14 H new ATOM 0 HD3 LYS A 55 9.946 -8.970 10.688 1.00 14.14 H new ATOM 0 HE2 LYS A 55 8.157 -8.457 8.275 1.00 75.02 H new ATOM 0 HE3 LYS A 55 9.873 -8.104 8.309 1.00 75.02 H new ATOM 0 HZ1 LYS A 55 9.655 -10.207 7.335 1.00 63.03 H new ATOM 0 HZ2 LYS A 55 10.194 -10.517 8.915 1.00 63.03 H new ATOM 0 HZ3 LYS A 55 8.561 -10.753 8.514 1.00 63.03 H new ATOM 842 N ARG A 56 3.305 -8.776 9.736 1.00 63.50 N ATOM 843 CA ARG A 56 2.038 -8.131 9.374 1.00 74.04 C ATOM 844 C ARG A 56 0.882 -8.810 10.099 1.00 1.10 C ATOM 845 O ARG A 56 -0.123 -8.180 10.441 1.00 45.04 O ATOM 846 CB ARG A 56 1.780 -8.232 7.862 1.00 13.44 C ATOM 847 CG ARG A 56 2.910 -7.713 6.986 1.00 60.23 C ATOM 848 CD ARG A 56 2.598 -7.931 5.507 1.00 20.44 C ATOM 849 NE ARG A 56 3.728 -7.587 4.644 1.00 20.11 N ATOM 850 CZ ARG A 56 4.595 -8.479 4.162 1.00 51.15 C ATOM 851 NH1 ARG A 56 4.463 -9.768 4.443 1.00 31.34 N ATOM 852 NH2 ARG A 56 5.594 -8.088 3.391 1.00 24.14 N ATOM 0 H ARG A 56 3.580 -9.533 9.110 1.00 63.50 H new ATOM 0 HA ARG A 56 2.107 -7.082 9.662 1.00 74.04 H new ATOM 0 HB2 ARG A 56 1.593 -9.275 7.609 1.00 13.44 H new ATOM 0 HB3 ARG A 56 0.872 -7.678 7.625 1.00 13.44 H new ATOM 0 HG2 ARG A 56 3.064 -6.651 7.176 1.00 60.23 H new ATOM 0 HG3 ARG A 56 3.839 -8.222 7.245 1.00 60.23 H new ATOM 0 HD2 ARG A 56 2.325 -8.974 5.346 1.00 20.44 H new ATOM 0 HD3 ARG A 56 1.734 -7.328 5.228 1.00 20.44 H new ATOM 0 HE ARG A 56 3.861 -6.607 4.396 1.00 20.11 H new ATOM 0 HH11 ARG A 56 3.693 -10.085 5.032 1.00 31.34 H new ATOM 0 HH12 ARG A 56 5.131 -10.442 4.070 1.00 31.34 H new ATOM 0 HH21 ARG A 56 5.705 -7.100 3.162 1.00 24.14 H new ATOM 0 HH22 ARG A 56 6.254 -8.774 3.025 1.00 24.14 H new ATOM 866 N ALA A 57 1.040 -10.111 10.314 1.00 75.53 N ATOM 867 CA ALA A 57 -0.015 -10.946 10.864 1.00 40.24 C ATOM 868 C ALA A 57 -0.198 -10.704 12.353 1.00 71.25 C ATOM 869 O ALA A 57 0.731 -10.292 13.053 1.00 53.35 O ATOM 870 CB ALA A 57 0.284 -12.418 10.600 1.00 34.42 C ATOM 0 H ALA A 57 1.904 -10.614 10.111 1.00 75.53 H new ATOM 0 HA ALA A 57 -0.947 -10.677 10.366 1.00 40.24 H new ATOM 0 HB1 ALA A 57 -0.514 -13.032 11.017 1.00 34.42 H new ATOM 0 HB2 ALA A 57 0.349 -12.589 9.525 1.00 34.42 H new ATOM 0 HB3 ALA A 57 1.231 -12.687 11.068 1.00 34.42 H new ATOM 876 N HIS A 58 -1.401 -10.989 12.833 1.00 23.12 N ATOM 877 CA HIS A 58 -1.714 -10.901 14.253 1.00 21.31 C ATOM 878 C HIS A 58 -1.530 -12.274 14.888 1.00 2.53 C ATOM 879 O HIS A 58 -2.171 -12.611 15.889 1.00 62.41 O ATOM 880 CB HIS A 58 -3.149 -10.391 14.448 1.00 52.13 C ATOM 881 CG HIS A 58 -3.355 -9.004 13.911 1.00 71.23 C ATOM 882 ND1 HIS A 58 -3.192 -7.867 14.671 1.00 12.41 N ATOM 883 CD2 HIS A 58 -3.685 -8.577 12.669 1.00 64.10 C ATOM 884 CE1 HIS A 58 -3.412 -6.803 13.923 1.00 73.52 C ATOM 885 NE2 HIS A 58 -3.713 -7.205 12.704 1.00 44.32 N ATOM 0 H HIS A 58 -2.185 -11.287 12.252 1.00 23.12 H new ATOM 0 HA HIS A 58 -1.041 -10.194 14.737 1.00 21.31 H new ATOM 0 HB2 HIS A 58 -3.842 -11.073 13.954 1.00 52.13 H new ATOM 0 HB3 HIS A 58 -3.392 -10.404 15.510 1.00 52.13 H new ATOM 0 HD2 HIS A 58 -3.888 -9.200 11.811 1.00 64.10 H new ATOM 0 HE1 HIS A 58 -3.355 -5.776 14.253 1.00 73.52 H new ATOM 0 HE2 HIS A 58 -3.931 -6.596 11.915 1.00 44.32 H new ATOM 894 N PHE A 59 -0.623 -13.048 14.288 1.00 45.53 N ATOM 895 CA PHE A 59 -0.310 -14.404 14.730 1.00 61.11 C ATOM 896 C PHE A 59 -1.542 -15.298 14.591 1.00 4.21 C ATOM 897 O PHE A 59 -1.824 -16.150 15.437 1.00 51.30 O ATOM 898 CB PHE A 59 0.234 -14.386 16.167 1.00 63.21 C ATOM 899 CG PHE A 59 1.475 -13.529 16.337 1.00 13.13 C ATOM 900 CD1 PHE A 59 2.191 -13.066 15.231 1.00 72.53 C ATOM 901 CD2 PHE A 59 1.925 -13.187 17.603 1.00 55.13 C ATOM 902 CE1 PHE A 59 3.321 -12.288 15.395 1.00 53.22 C ATOM 903 CE2 PHE A 59 3.057 -12.408 17.768 1.00 72.34 C ATOM 904 CZ PHE A 59 3.755 -11.960 16.663 1.00 32.55 C ATOM 0 H PHE A 59 -0.083 -12.747 13.477 1.00 45.53 H new ATOM 0 HA PHE A 59 0.472 -14.821 14.095 1.00 61.11 H new ATOM 0 HB2 PHE A 59 -0.544 -14.020 16.837 1.00 63.21 H new ATOM 0 HB3 PHE A 59 0.463 -15.407 16.473 1.00 63.21 H new ATOM 0 HD1 PHE A 59 1.857 -13.319 14.235 1.00 72.53 H new ATOM 0 HD2 PHE A 59 1.385 -13.533 18.472 1.00 55.13 H new ATOM 0 HE1 PHE A 59 3.865 -11.937 14.531 1.00 53.22 H new ATOM 0 HE2 PHE A 59 3.395 -12.150 18.761 1.00 72.34 H new ATOM 0 HZ PHE A 59 4.639 -11.354 16.792 1.00 32.55 H new ATOM 914 N ASP A 60 -2.254 -15.087 13.489 1.00 3.23 N ATOM 915 CA ASP A 60 -3.450 -15.848 13.151 1.00 22.13 C ATOM 916 C ASP A 60 -3.138 -17.341 13.084 1.00 20.41 C ATOM 917 O ASP A 60 -2.007 -17.738 12.803 1.00 31.31 O ATOM 918 CB ASP A 60 -3.999 -15.383 11.790 1.00 1.13 C ATOM 919 CG ASP A 60 -4.221 -13.879 11.711 1.00 72.32 C ATOM 920 OD1 ASP A 60 -3.231 -13.120 11.832 1.00 64.02 O ATOM 921 OD2 ASP A 60 -5.376 -13.446 11.498 1.00 21.21 O ATOM 0 H ASP A 60 -2.014 -14.375 12.799 1.00 3.23 H new ATOM 0 HA ASP A 60 -4.196 -15.677 13.927 1.00 22.13 H new ATOM 0 HB2 ASP A 60 -3.305 -15.682 11.005 1.00 1.13 H new ATOM 0 HB3 ASP A 60 -4.942 -15.893 11.593 1.00 1.13 H new ATOM 926 N HIS A 61 -4.155 -18.165 13.305 1.00 13.11 N ATOM 927 CA HIS A 61 -3.996 -19.622 13.278 1.00 64.41 C ATOM 928 C HIS A 61 -4.080 -20.162 11.846 1.00 11.03 C ATOM 929 O HIS A 61 -4.439 -21.321 11.626 1.00 35.12 O ATOM 930 CB HIS A 61 -5.049 -20.288 14.178 1.00 74.10 C ATOM 931 CG HIS A 61 -4.791 -20.082 15.641 1.00 43.02 C ATOM 932 ND1 HIS A 61 -5.347 -19.052 16.368 1.00 14.13 N ATOM 933 CD2 HIS A 61 -4.014 -20.774 16.510 1.00 43.44 C ATOM 934 CE1 HIS A 61 -4.922 -19.118 17.619 1.00 75.35 C ATOM 935 NE2 HIS A 61 -4.113 -20.154 17.728 1.00 64.30 N ATOM 0 H HIS A 61 -5.105 -17.852 13.506 1.00 13.11 H new ATOM 0 HA HIS A 61 -3.006 -19.865 13.663 1.00 64.41 H new ATOM 0 HB2 HIS A 61 -6.033 -19.891 13.930 1.00 74.10 H new ATOM 0 HB3 HIS A 61 -5.074 -21.357 13.967 1.00 74.10 H new ATOM 0 HD2 HIS A 61 -3.426 -21.651 16.284 1.00 43.44 H new ATOM 0 HE1 HIS A 61 -5.191 -18.440 18.415 1.00 75.35 H new ATOM 0 HE2 HIS A 61 -3.638 -20.447 18.582 1.00 64.30 H new ATOM 944 N ILE A 62 -3.728 -19.320 10.882 1.00 73.14 N ATOM 945 CA ILE A 62 -3.651 -19.717 9.476 1.00 65.44 C ATOM 946 C ILE A 62 -2.206 -20.064 9.108 1.00 41.11 C ATOM 947 O ILE A 62 -1.864 -20.152 7.929 1.00 32.13 O ATOM 948 CB ILE A 62 -4.175 -18.600 8.534 1.00 10.35 C ATOM 949 CG1 ILE A 62 -3.344 -17.314 8.704 1.00 42.10 C ATOM 950 CG2 ILE A 62 -5.658 -18.331 8.792 1.00 43.04 C ATOM 951 CD1 ILE A 62 -3.768 -16.186 7.785 1.00 32.42 C ATOM 0 H ILE A 62 -3.488 -18.343 11.050 1.00 73.14 H new ATOM 0 HA ILE A 62 -4.286 -20.593 9.345 1.00 65.44 H new ATOM 0 HB ILE A 62 -4.067 -18.939 7.504 1.00 10.35 H new ATOM 0 HG12 ILE A 62 -3.421 -16.977 9.738 1.00 42.10 H new ATOM 0 HG13 ILE A 62 -2.294 -17.544 8.521 1.00 42.10 H new ATOM 0 HG21 ILE A 62 -6.007 -17.545 8.122 1.00 43.04 H new ATOM 0 HG22 ILE A 62 -6.230 -19.241 8.612 1.00 43.04 H new ATOM 0 HG23 ILE A 62 -5.796 -18.014 9.826 1.00 43.04 H new ATOM 0 HD11 ILE A 62 -3.137 -15.315 7.963 1.00 32.42 H new ATOM 0 HD12 ILE A 62 -3.664 -16.503 6.747 1.00 32.42 H new ATOM 0 HD13 ILE A 62 -4.808 -15.927 7.983 1.00 32.42 H new ATOM 963 N ASP A 63 -1.383 -20.247 10.151 1.00 1.43 N ATOM 964 CA ASP A 63 0.055 -20.530 10.025 1.00 15.25 C ATOM 965 C ASP A 63 0.370 -21.444 8.840 1.00 43.10 C ATOM 966 O ASP A 63 -0.221 -22.505 8.687 1.00 22.32 O ATOM 967 CB ASP A 63 0.574 -21.169 11.319 1.00 62.22 C ATOM 968 CG ASP A 63 2.036 -21.586 11.227 1.00 62.44 C ATOM 969 OD1 ASP A 63 2.906 -20.701 11.111 1.00 31.43 O ATOM 970 OD2 ASP A 63 2.327 -22.797 11.296 1.00 71.15 O ATOM 0 H ASP A 63 -1.701 -20.202 11.119 1.00 1.43 H new ATOM 0 HA ASP A 63 0.556 -19.579 9.846 1.00 15.25 H new ATOM 0 HB2 ASP A 63 0.453 -20.463 12.141 1.00 62.22 H new ATOM 0 HB3 ASP A 63 -0.034 -22.042 11.557 1.00 62.22 H new ATOM 975 N ILE A 64 1.328 -21.016 8.026 1.00 35.01 N ATOM 976 CA ILE A 64 1.703 -21.713 6.795 1.00 74.34 C ATOM 977 C ILE A 64 2.502 -22.990 7.076 1.00 73.52 C ATOM 978 O ILE A 64 2.352 -23.998 6.380 1.00 13.12 O ATOM 979 CB ILE A 64 2.513 -20.755 5.878 1.00 55.31 C ATOM 980 CG1 ILE A 64 2.929 -21.449 4.579 1.00 32.33 C ATOM 981 CG2 ILE A 64 3.744 -20.215 6.606 1.00 31.33 C ATOM 982 CD1 ILE A 64 3.308 -20.490 3.472 1.00 23.31 C ATOM 0 H ILE A 64 1.872 -20.171 8.200 1.00 35.01 H new ATOM 0 HA ILE A 64 0.786 -22.015 6.289 1.00 74.34 H new ATOM 0 HB ILE A 64 1.863 -19.917 5.624 1.00 55.31 H new ATOM 0 HG12 ILE A 64 3.774 -22.107 4.783 1.00 32.33 H new ATOM 0 HG13 ILE A 64 2.109 -22.080 4.236 1.00 32.33 H new ATOM 0 HG21 ILE A 64 4.295 -19.547 5.944 1.00 31.33 H new ATOM 0 HG22 ILE A 64 3.430 -19.667 7.495 1.00 31.33 H new ATOM 0 HG23 ILE A 64 4.386 -21.045 6.900 1.00 31.33 H new ATOM 0 HD11 ILE A 64 3.591 -21.054 2.583 1.00 23.31 H new ATOM 0 HD12 ILE A 64 2.458 -19.849 3.239 1.00 23.31 H new ATOM 0 HD13 ILE A 64 4.148 -19.875 3.795 1.00 23.31 H new ATOM 994 N GLY A 65 3.332 -22.946 8.112 1.00 24.22 N ATOM 995 CA GLY A 65 4.190 -24.073 8.443 1.00 1.30 C ATOM 996 C GLY A 65 3.417 -25.318 8.858 1.00 31.50 C ATOM 997 O GLY A 65 3.746 -26.426 8.434 1.00 64.12 O ATOM 0 H GLY A 65 3.428 -22.144 8.734 1.00 24.22 H new ATOM 0 HA2 GLY A 65 4.813 -24.311 7.581 1.00 1.30 H new ATOM 0 HA3 GLY A 65 4.861 -23.784 9.252 1.00 1.30 H new ATOM 1001 N VAL A 66 2.384 -25.134 9.682 1.00 52.41 N ATOM 1002 CA VAL A 66 1.622 -26.261 10.228 1.00 10.01 C ATOM 1003 C VAL A 66 1.033 -27.136 9.113 1.00 22.33 C ATOM 1004 O VAL A 66 0.972 -28.362 9.246 1.00 54.21 O ATOM 1005 CB VAL A 66 0.493 -25.788 11.188 1.00 42.25 C ATOM 1006 CG1 VAL A 66 -0.556 -24.960 10.445 1.00 35.32 C ATOM 1007 CG2 VAL A 66 -0.151 -26.980 11.900 1.00 25.14 C ATOM 0 H VAL A 66 2.055 -24.218 9.986 1.00 52.41 H new ATOM 0 HA VAL A 66 2.326 -26.862 10.804 1.00 10.01 H new ATOM 0 HB VAL A 66 0.945 -25.146 11.944 1.00 42.25 H new ATOM 0 HG11 VAL A 66 -1.331 -24.644 11.143 1.00 35.32 H new ATOM 0 HG12 VAL A 66 -0.083 -24.081 10.007 1.00 35.32 H new ATOM 0 HG13 VAL A 66 -1.003 -25.563 9.655 1.00 35.32 H new ATOM 0 HG21 VAL A 66 -0.937 -26.625 12.566 1.00 25.14 H new ATOM 0 HG22 VAL A 66 -0.580 -27.657 11.161 1.00 25.14 H new ATOM 0 HG23 VAL A 66 0.605 -27.509 12.481 1.00 25.14 H new ATOM 1017 N LEU A 67 0.621 -26.510 8.011 1.00 55.10 N ATOM 1018 CA LEU A 67 0.036 -27.248 6.892 1.00 53.21 C ATOM 1019 C LEU A 67 0.994 -28.326 6.391 1.00 52.34 C ATOM 1020 O LEU A 67 0.575 -29.452 6.122 1.00 51.42 O ATOM 1021 CB LEU A 67 -0.353 -26.309 5.737 1.00 43.44 C ATOM 1022 CG LEU A 67 -1.630 -25.469 5.936 1.00 1.21 C ATOM 1023 CD1 LEU A 67 -2.686 -26.236 6.728 1.00 3.51 C ATOM 1024 CD2 LEU A 67 -1.317 -24.125 6.585 1.00 50.24 C ATOM 0 H LEU A 67 0.681 -25.502 7.869 1.00 55.10 H new ATOM 0 HA LEU A 67 -0.872 -27.727 7.260 1.00 53.21 H new ATOM 0 HB2 LEU A 67 0.479 -25.628 5.555 1.00 43.44 H new ATOM 0 HB3 LEU A 67 -0.476 -26.909 4.836 1.00 43.44 H new ATOM 0 HG LEU A 67 -2.044 -25.268 4.948 1.00 1.21 H new ATOM 0 HD11 LEU A 67 -3.573 -25.614 6.850 1.00 3.51 H new ATOM 0 HD12 LEU A 67 -2.952 -27.147 6.192 1.00 3.51 H new ATOM 0 HD13 LEU A 67 -2.288 -26.496 7.709 1.00 3.51 H new ATOM 0 HD21 LEU A 67 -2.239 -23.558 6.711 1.00 50.24 H new ATOM 0 HD22 LEU A 67 -0.857 -24.290 7.559 1.00 50.24 H new ATOM 0 HD23 LEU A 67 -0.631 -23.565 5.950 1.00 50.24 H new ATOM 1036 N ILE A 68 2.282 -27.988 6.303 1.00 31.54 N ATOM 1037 CA ILE A 68 3.291 -28.930 5.818 1.00 2.51 C ATOM 1038 C ILE A 68 3.346 -30.166 6.712 1.00 51.44 C ATOM 1039 O ILE A 68 3.542 -31.286 6.232 1.00 60.32 O ATOM 1040 CB ILE A 68 4.698 -28.284 5.757 1.00 45.02 C ATOM 1041 CG1 ILE A 68 4.668 -27.013 4.894 1.00 32.52 C ATOM 1042 CG2 ILE A 68 5.729 -29.278 5.214 1.00 72.11 C ATOM 1043 CD1 ILE A 68 6.013 -26.331 4.783 1.00 31.33 C ATOM 0 H ILE A 68 2.650 -27.072 6.560 1.00 31.54 H new ATOM 0 HA ILE A 68 2.998 -29.219 4.808 1.00 2.51 H new ATOM 0 HB ILE A 68 4.992 -28.008 6.770 1.00 45.02 H new ATOM 0 HG12 ILE A 68 4.315 -27.269 3.895 1.00 32.52 H new ATOM 0 HG13 ILE A 68 3.948 -26.313 5.317 1.00 32.52 H new ATOM 0 HG21 ILE A 68 6.709 -28.803 5.180 1.00 72.11 H new ATOM 0 HG22 ILE A 68 5.771 -30.151 5.865 1.00 72.11 H new ATOM 0 HG23 ILE A 68 5.441 -29.589 4.210 1.00 72.11 H new ATOM 0 HD11 ILE A 68 5.920 -25.441 4.160 1.00 31.33 H new ATOM 0 HD12 ILE A 68 6.358 -26.044 5.776 1.00 31.33 H new ATOM 0 HD13 ILE A 68 6.732 -27.015 4.333 1.00 31.33 H new ATOM 1055 N THR A 69 3.137 -29.961 8.008 1.00 24.31 N ATOM 1056 CA THR A 69 3.205 -31.044 8.976 1.00 33.41 C ATOM 1057 C THR A 69 2.038 -32.009 8.762 1.00 42.44 C ATOM 1058 O THR A 69 2.151 -33.212 9.002 1.00 21.42 O ATOM 1059 CB THR A 69 3.184 -30.488 10.420 1.00 21.35 C ATOM 1060 OG1 THR A 69 4.178 -29.458 10.548 1.00 24.41 O ATOM 1061 CG2 THR A 69 3.448 -31.586 11.449 1.00 64.12 C ATOM 0 H THR A 69 2.918 -29.050 8.411 1.00 24.31 H new ATOM 0 HA THR A 69 4.142 -31.582 8.831 1.00 33.41 H new ATOM 0 HB THR A 69 2.192 -30.080 10.613 1.00 21.35 H new ATOM 0 HG1 THR A 69 4.165 -29.103 11.461 1.00 24.41 H new ATOM 0 HG21 THR A 69 3.426 -31.158 12.451 1.00 64.12 H new ATOM 0 HG22 THR A 69 2.680 -32.355 11.365 1.00 64.12 H new ATOM 0 HG23 THR A 69 4.427 -32.029 11.265 1.00 64.12 H new ATOM 1069 N GLN A 70 0.924 -31.463 8.287 1.00 34.14 N ATOM 1070 CA GLN A 70 -0.257 -32.258 7.975 1.00 71.34 C ATOM 1071 C GLN A 70 -0.051 -32.992 6.648 1.00 10.03 C ATOM 1072 O GLN A 70 -0.221 -34.206 6.563 1.00 34.11 O ATOM 1073 CB GLN A 70 -1.498 -31.349 7.912 1.00 31.34 C ATOM 1074 CG GLN A 70 -1.610 -30.396 9.101 1.00 51.21 C ATOM 1075 CD GLN A 70 -3.016 -29.857 9.309 1.00 22.45 C ATOM 1076 OE1 GLN A 70 -3.324 -28.736 8.678 1.00 33.32 O flip ATOM 1077 NE2 GLN A 70 -3.816 -30.442 10.037 1.00 21.40 N flip ATOM 0 H GLN A 70 0.815 -30.465 8.109 1.00 34.14 H new ATOM 0 HA GLN A 70 -0.414 -32.999 8.759 1.00 71.34 H new ATOM 0 HB2 GLN A 70 -1.467 -30.767 6.991 1.00 31.34 H new ATOM 0 HB3 GLN A 70 -2.393 -31.970 7.867 1.00 31.34 H new ATOM 0 HG2 GLN A 70 -1.290 -30.914 10.005 1.00 51.21 H new ATOM 0 HG3 GLN A 70 -0.926 -29.560 8.954 1.00 51.21 H new ATOM 0 HE21 GLN A 70 -3.541 -31.305 10.507 1.00 21.40 H new ATOM 0 HE22 GLN A 70 -4.754 -30.065 10.171 1.00 21.40 H new ATOM 1086 N MET A 71 0.358 -32.237 5.630 1.00 14.01 N ATOM 1087 CA MET A 71 0.587 -32.767 4.280 1.00 13.13 C ATOM 1088 C MET A 71 1.594 -33.913 4.282 1.00 21.22 C ATOM 1089 O MET A 71 1.390 -34.936 3.624 1.00 40.43 O ATOM 1090 CB MET A 71 1.131 -31.657 3.379 1.00 61.13 C ATOM 1091 CG MET A 71 0.154 -30.532 3.080 1.00 14.31 C ATOM 1092 SD MET A 71 0.989 -28.942 2.941 1.00 65.25 S ATOM 1093 CE MET A 71 2.490 -29.406 2.077 1.00 3.01 C ATOM 0 H MET A 71 0.541 -31.237 5.715 1.00 14.01 H new ATOM 0 HA MET A 71 -0.369 -33.140 3.911 1.00 13.13 H new ATOM 0 HB2 MET A 71 2.018 -31.232 3.848 1.00 61.13 H new ATOM 0 HB3 MET A 71 1.451 -32.100 2.436 1.00 61.13 H new ATOM 0 HG2 MET A 71 -0.375 -30.747 2.152 1.00 14.31 H new ATOM 0 HG3 MET A 71 -0.595 -30.481 3.870 1.00 14.31 H new ATOM 0 HE1 MET A 71 2.871 -28.548 1.524 1.00 3.01 H new ATOM 0 HE2 MET A 71 3.238 -29.734 2.798 1.00 3.01 H new ATOM 0 HE3 MET A 71 2.274 -30.218 1.383 1.00 3.01 H new ATOM 1103 N THR A 72 2.692 -33.717 5.004 1.00 74.35 N ATOM 1104 CA THR A 72 3.796 -34.670 5.009 1.00 54.12 C ATOM 1105 C THR A 72 3.328 -36.032 5.521 1.00 21.40 C ATOM 1106 O THR A 72 3.910 -37.069 5.193 1.00 10.21 O ATOM 1107 CB THR A 72 4.975 -34.153 5.873 1.00 4.43 C ATOM 1108 OG1 THR A 72 6.184 -34.851 5.545 1.00 54.05 O ATOM 1109 CG2 THR A 72 4.689 -34.303 7.362 1.00 32.34 C ATOM 0 H THR A 72 2.841 -32.901 5.597 1.00 74.35 H new ATOM 0 HA THR A 72 4.146 -34.781 3.983 1.00 54.12 H new ATOM 0 HB THR A 72 5.096 -33.093 5.652 1.00 4.43 H new ATOM 0 HG1 THR A 72 6.918 -34.511 6.098 1.00 54.05 H new ATOM 0 HG21 THR A 72 5.538 -33.930 7.935 1.00 32.34 H new ATOM 0 HG22 THR A 72 3.798 -33.732 7.621 1.00 32.34 H new ATOM 0 HG23 THR A 72 4.527 -35.355 7.597 1.00 32.34 H new ATOM 1117 N ASP A 73 2.260 -36.014 6.308 1.00 14.31 N ATOM 1118 CA ASP A 73 1.717 -37.228 6.894 1.00 73.20 C ATOM 1119 C ASP A 73 0.567 -37.758 6.042 1.00 63.12 C ATOM 1120 O ASP A 73 0.539 -38.938 5.680 1.00 62.50 O ATOM 1121 CB ASP A 73 1.241 -36.940 8.321 1.00 53.23 C ATOM 1122 CG ASP A 73 0.858 -38.207 9.072 1.00 24.13 C ATOM 1123 OD1 ASP A 73 1.758 -38.862 9.640 1.00 61.41 O ATOM 1124 OD2 ASP A 73 -0.346 -38.551 9.105 1.00 73.12 O ATOM 0 H ASP A 73 1.751 -35.165 6.555 1.00 14.31 H new ATOM 0 HA ASP A 73 2.496 -37.990 6.928 1.00 73.20 H new ATOM 0 HB2 ASP A 73 2.030 -36.422 8.867 1.00 53.23 H new ATOM 0 HB3 ASP A 73 0.383 -36.268 8.286 1.00 53.23 H new ATOM 1129 N GLU A 74 -0.372 -36.876 5.718 1.00 53.04 N ATOM 1130 CA GLU A 74 -1.522 -37.227 4.897 1.00 13.52 C ATOM 1131 C GLU A 74 -1.968 -36.022 4.067 1.00 52.34 C ATOM 1132 O GLU A 74 -2.382 -34.997 4.614 1.00 43.45 O ATOM 1133 CB GLU A 74 -2.661 -37.738 5.790 1.00 65.33 C ATOM 1134 CG GLU A 74 -3.903 -38.190 5.032 1.00 22.12 C ATOM 1135 CD GLU A 74 -4.891 -38.924 5.925 1.00 33.50 C ATOM 1136 OE1 GLU A 74 -5.503 -38.281 6.804 1.00 64.11 O ATOM 1137 OE2 GLU A 74 -5.059 -40.151 5.747 1.00 51.53 O ATOM 0 H GLU A 74 -0.357 -35.901 6.017 1.00 53.04 H new ATOM 0 HA GLU A 74 -1.243 -38.023 4.207 1.00 13.52 H new ATOM 0 HB2 GLU A 74 -2.292 -38.572 6.387 1.00 65.33 H new ATOM 0 HB3 GLU A 74 -2.943 -36.948 6.486 1.00 65.33 H new ATOM 0 HG2 GLU A 74 -4.392 -37.322 4.590 1.00 22.12 H new ATOM 0 HG3 GLU A 74 -3.607 -38.842 4.210 1.00 22.12 H new ATOM 1144 N MET A 75 -1.859 -36.143 2.744 1.00 3.01 N ATOM 1145 CA MET A 75 -2.246 -35.065 1.832 1.00 44.15 C ATOM 1146 C MET A 75 -3.771 -34.913 1.792 1.00 2.42 C ATOM 1147 O MET A 75 -4.498 -35.867 2.076 1.00 23.31 O ATOM 1148 CB MET A 75 -1.692 -35.333 0.419 1.00 64.55 C ATOM 1149 CG MET A 75 -2.315 -36.534 -0.279 1.00 34.12 C ATOM 1150 SD MET A 75 -1.571 -36.866 -1.891 1.00 53.33 S ATOM 1151 CE MET A 75 -1.906 -35.329 -2.753 1.00 73.05 C ATOM 0 H MET A 75 -1.505 -36.979 2.278 1.00 3.01 H new ATOM 0 HA MET A 75 -1.819 -34.132 2.200 1.00 44.15 H new ATOM 0 HB2 MET A 75 -1.851 -34.447 -0.195 1.00 64.55 H new ATOM 0 HB3 MET A 75 -0.615 -35.485 0.486 1.00 64.55 H new ATOM 0 HG2 MET A 75 -2.207 -37.414 0.355 1.00 34.12 H new ATOM 0 HG3 MET A 75 -3.384 -36.362 -0.405 1.00 34.12 H new ATOM 0 HE1 MET A 75 -1.786 -35.480 -3.826 1.00 73.05 H new ATOM 0 HE2 MET A 75 -2.927 -35.009 -2.543 1.00 73.05 H new ATOM 0 HE3 MET A 75 -1.209 -34.563 -2.414 1.00 73.05 H new ATOM 1161 N PRO A 76 -4.280 -33.709 1.438 1.00 3.41 N ATOM 1162 CA PRO A 76 -5.723 -33.420 1.446 1.00 54.22 C ATOM 1163 C PRO A 76 -6.482 -34.054 0.263 1.00 61.51 C ATOM 1164 O PRO A 76 -6.807 -35.243 0.292 1.00 1.43 O ATOM 1165 CB PRO A 76 -5.750 -31.885 1.382 1.00 4.34 C ATOM 1166 CG PRO A 76 -4.546 -31.548 0.572 1.00 35.41 C ATOM 1167 CD PRO A 76 -3.491 -32.524 1.024 1.00 32.14 C ATOM 0 HA PRO A 76 -6.227 -33.839 2.317 1.00 54.22 H new ATOM 0 HB2 PRO A 76 -6.664 -31.519 0.914 1.00 4.34 H new ATOM 0 HB3 PRO A 76 -5.702 -31.441 2.376 1.00 4.34 H new ATOM 0 HG2 PRO A 76 -4.746 -31.648 -0.495 1.00 35.41 H new ATOM 0 HG3 PRO A 76 -4.231 -30.518 0.742 1.00 35.41 H new ATOM 0 HD2 PRO A 76 -2.795 -32.765 0.221 1.00 32.14 H new ATOM 0 HD3 PRO A 76 -2.901 -32.125 1.849 1.00 32.14 H new ATOM 1175 N ARG A 77 -6.750 -33.259 -0.780 1.00 42.15 N ATOM 1176 CA ARG A 77 -7.539 -33.708 -1.926 1.00 24.23 C ATOM 1177 C ARG A 77 -7.026 -33.075 -3.210 1.00 64.03 C ATOM 1178 O ARG A 77 -6.575 -31.927 -3.209 1.00 31.21 O ATOM 1179 CB ARG A 77 -9.008 -33.316 -1.750 1.00 34.31 C ATOM 1180 CG ARG A 77 -9.712 -33.986 -0.582 1.00 65.13 C ATOM 1181 CD ARG A 77 -11.170 -33.564 -0.523 1.00 35.21 C ATOM 1182 NE ARG A 77 -11.782 -33.865 0.772 1.00 33.43 N ATOM 1183 CZ ARG A 77 -12.294 -32.945 1.597 1.00 44.12 C ATOM 1184 NH1 ARG A 77 -12.178 -31.649 1.319 1.00 60.03 N ATOM 1185 NH2 ARG A 77 -12.893 -33.324 2.717 1.00 24.22 N ATOM 0 H ARG A 77 -6.427 -32.294 -0.850 1.00 42.15 H new ATOM 0 HA ARG A 77 -7.447 -34.792 -1.986 1.00 24.23 H new ATOM 0 HB2 ARG A 77 -9.068 -32.235 -1.620 1.00 34.31 H new ATOM 0 HB3 ARG A 77 -9.546 -33.557 -2.667 1.00 34.31 H new ATOM 0 HG2 ARG A 77 -9.645 -35.069 -0.683 1.00 65.13 H new ATOM 0 HG3 ARG A 77 -9.213 -33.721 0.350 1.00 65.13 H new ATOM 0 HD2 ARG A 77 -11.245 -32.494 -0.718 1.00 35.21 H new ATOM 0 HD3 ARG A 77 -11.725 -34.071 -1.312 1.00 35.21 H new ATOM 0 HE ARG A 77 -11.821 -34.841 1.065 1.00 33.43 H new ATOM 0 HH11 ARG A 77 -11.696 -31.350 0.471 1.00 60.03 H new ATOM 0 HH12 ARG A 77 -12.571 -30.954 1.954 1.00 60.03 H new ATOM 0 HH21 ARG A 77 -12.963 -34.315 2.948 1.00 24.22 H new ATOM 0 HH22 ARG A 77 -13.284 -32.625 3.348 1.00 24.22 H new ATOM 1199 N GLU A 78 -7.134 -33.812 -4.304 1.00 43.11 N ATOM 1200 CA GLU A 78 -6.740 -33.308 -5.616 1.00 10.22 C ATOM 1201 C GLU A 78 -7.680 -32.186 -6.037 1.00 23.31 C ATOM 1202 O GLU A 78 -7.237 -31.119 -6.461 1.00 30.35 O ATOM 1203 CB GLU A 78 -6.765 -34.419 -6.671 1.00 42.54 C ATOM 1204 CG GLU A 78 -5.757 -35.535 -6.429 1.00 21.42 C ATOM 1205 CD GLU A 78 -5.737 -36.538 -7.570 1.00 43.31 C ATOM 1206 OE1 GLU A 78 -5.021 -36.294 -8.564 1.00 3.12 O ATOM 1207 OE2 GLU A 78 -6.452 -37.563 -7.486 1.00 24.35 O ATOM 0 H GLU A 78 -7.493 -34.767 -4.312 1.00 43.11 H new ATOM 0 HA GLU A 78 -5.720 -32.931 -5.541 1.00 10.22 H new ATOM 0 HB2 GLU A 78 -7.766 -34.850 -6.704 1.00 42.54 H new ATOM 0 HB3 GLU A 78 -6.574 -33.979 -7.650 1.00 42.54 H new ATOM 0 HG2 GLU A 78 -4.763 -35.106 -6.306 1.00 21.42 H new ATOM 0 HG3 GLU A 78 -6.000 -36.048 -5.499 1.00 21.42 H new ATOM 1214 N GLU A 79 -8.981 -32.435 -5.887 1.00 61.41 N ATOM 1215 CA GLU A 79 -9.999 -31.463 -6.237 1.00 62.11 C ATOM 1216 C GLU A 79 -9.800 -30.168 -5.455 1.00 42.33 C ATOM 1217 O GLU A 79 -10.067 -29.081 -5.954 1.00 30.53 O ATOM 1218 CB GLU A 79 -11.393 -32.043 -5.971 1.00 33.44 C ATOM 1219 CG GLU A 79 -11.611 -32.530 -4.541 1.00 54.04 C ATOM 1220 CD GLU A 79 -13.040 -32.987 -4.288 1.00 23.55 C ATOM 1221 OE1 GLU A 79 -13.419 -34.073 -4.779 1.00 35.41 O ATOM 1222 OE2 GLU A 79 -13.796 -32.252 -3.622 1.00 35.35 O ATOM 0 H GLU A 79 -9.350 -33.313 -5.521 1.00 61.41 H new ATOM 0 HA GLU A 79 -9.911 -31.234 -7.299 1.00 62.11 H new ATOM 0 HB2 GLU A 79 -12.139 -31.283 -6.201 1.00 33.44 H new ATOM 0 HB3 GLU A 79 -11.564 -32.874 -6.655 1.00 33.44 H new ATOM 0 HG2 GLU A 79 -10.928 -33.354 -4.334 1.00 54.04 H new ATOM 0 HG3 GLU A 79 -11.362 -31.728 -3.846 1.00 54.04 H new ATOM 1229 N ASP A 80 -9.323 -30.290 -4.226 1.00 22.20 N ATOM 1230 CA ASP A 80 -9.052 -29.123 -3.397 1.00 23.21 C ATOM 1231 C ASP A 80 -7.787 -28.416 -3.878 1.00 50.24 C ATOM 1232 O ASP A 80 -7.735 -27.183 -3.940 1.00 21.13 O ATOM 1233 CB ASP A 80 -8.938 -29.533 -1.920 1.00 4.30 C ATOM 1234 CG ASP A 80 -10.282 -29.899 -1.300 1.00 30.43 C ATOM 1235 OD1 ASP A 80 -11.338 -29.624 -1.920 1.00 72.24 O ATOM 1236 OD2 ASP A 80 -10.288 -30.477 -0.197 1.00 34.04 O ATOM 0 H ASP A 80 -9.115 -31.183 -3.780 1.00 22.20 H new ATOM 0 HA ASP A 80 -9.882 -28.422 -3.486 1.00 23.21 H new ATOM 0 HB2 ASP A 80 -8.261 -30.383 -1.835 1.00 4.30 H new ATOM 0 HB3 ASP A 80 -8.494 -28.714 -1.354 1.00 4.30 H new ATOM 1241 N ILE A 81 -6.772 -29.207 -4.243 1.00 52.33 N ATOM 1242 CA ILE A 81 -5.515 -28.664 -4.765 1.00 75.11 C ATOM 1243 C ILE A 81 -5.752 -27.859 -6.045 1.00 23.01 C ATOM 1244 O ILE A 81 -5.206 -26.763 -6.203 1.00 54.32 O ATOM 1245 CB ILE A 81 -4.469 -29.786 -5.031 1.00 63.24 C ATOM 1246 CG1 ILE A 81 -4.022 -30.434 -3.705 1.00 42.25 C ATOM 1247 CG2 ILE A 81 -3.254 -29.247 -5.793 1.00 1.12 C ATOM 1248 CD1 ILE A 81 -3.119 -31.641 -3.871 1.00 11.21 C ATOM 0 H ILE A 81 -6.797 -30.225 -4.186 1.00 52.33 H new ATOM 0 HA ILE A 81 -5.114 -27.999 -4.000 1.00 75.11 H new ATOM 0 HB ILE A 81 -4.947 -30.544 -5.651 1.00 63.24 H new ATOM 0 HG12 ILE A 81 -3.502 -29.686 -3.106 1.00 42.25 H new ATOM 0 HG13 ILE A 81 -4.908 -30.732 -3.144 1.00 42.25 H new ATOM 0 HG21 ILE A 81 -2.543 -30.055 -5.963 1.00 1.12 H new ATOM 0 HG22 ILE A 81 -3.577 -28.841 -6.752 1.00 1.12 H new ATOM 0 HG23 ILE A 81 -2.777 -28.461 -5.208 1.00 1.12 H new ATOM 0 HD11 ILE A 81 -2.853 -32.034 -2.890 1.00 11.21 H new ATOM 0 HD12 ILE A 81 -3.641 -32.410 -4.440 1.00 11.21 H new ATOM 0 HD13 ILE A 81 -2.214 -31.348 -4.402 1.00 11.21 H new ATOM 1260 N GLU A 82 -6.575 -28.387 -6.953 1.00 20.30 N ATOM 1261 CA GLU A 82 -6.854 -27.700 -8.213 1.00 13.24 C ATOM 1262 C GLU A 82 -7.617 -26.400 -7.951 1.00 5.44 C ATOM 1263 O GLU A 82 -7.277 -25.351 -8.502 1.00 1.51 O ATOM 1264 CB GLU A 82 -7.624 -28.611 -9.193 1.00 73.20 C ATOM 1265 CG GLU A 82 -9.033 -29.009 -8.740 1.00 75.31 C ATOM 1266 CD GLU A 82 -10.148 -28.327 -9.530 1.00 75.42 C ATOM 1267 OE1 GLU A 82 -10.097 -27.093 -9.710 1.00 2.33 O ATOM 1268 OE2 GLU A 82 -11.081 -29.030 -9.983 1.00 14.40 O ATOM 0 H GLU A 82 -7.055 -29.280 -6.840 1.00 20.30 H new ATOM 0 HA GLU A 82 -5.902 -27.452 -8.683 1.00 13.24 H new ATOM 0 HB2 GLU A 82 -7.698 -28.103 -10.155 1.00 73.20 H new ATOM 0 HB3 GLU A 82 -7.042 -29.518 -9.355 1.00 73.20 H new ATOM 0 HG2 GLU A 82 -9.143 -30.089 -8.832 1.00 75.31 H new ATOM 0 HG3 GLU A 82 -9.147 -28.766 -7.684 1.00 75.31 H new ATOM 1275 N ARG A 83 -8.612 -26.469 -7.068 1.00 62.13 N ATOM 1276 CA ARG A 83 -9.450 -25.314 -6.754 1.00 64.02 C ATOM 1277 C ARG A 83 -8.631 -24.182 -6.148 1.00 23.45 C ATOM 1278 O ARG A 83 -8.800 -23.017 -6.519 1.00 51.11 O ATOM 1279 CB ARG A 83 -10.585 -25.714 -5.805 1.00 1.04 C ATOM 1280 CG ARG A 83 -11.611 -26.633 -6.454 1.00 32.11 C ATOM 1281 CD ARG A 83 -12.582 -27.218 -5.438 1.00 70.23 C ATOM 1282 NE ARG A 83 -13.520 -28.143 -6.071 1.00 52.13 N ATOM 1283 CZ ARG A 83 -13.949 -29.277 -5.516 1.00 13.14 C ATOM 1284 NH1 ARG A 83 -13.542 -29.631 -4.301 1.00 14.02 N ATOM 1285 NH2 ARG A 83 -14.785 -30.060 -6.186 1.00 32.14 N ATOM 0 H ARG A 83 -8.858 -27.316 -6.556 1.00 62.13 H new ATOM 0 HA ARG A 83 -9.882 -24.955 -7.688 1.00 64.02 H new ATOM 0 HB2 ARG A 83 -10.162 -26.211 -4.932 1.00 1.04 H new ATOM 0 HB3 ARG A 83 -11.086 -24.814 -5.448 1.00 1.04 H new ATOM 0 HG2 ARG A 83 -12.168 -26.078 -7.209 1.00 32.11 H new ATOM 0 HG3 ARG A 83 -11.096 -27.443 -6.970 1.00 32.11 H new ATOM 0 HD2 ARG A 83 -12.026 -27.738 -4.658 1.00 70.23 H new ATOM 0 HD3 ARG A 83 -13.134 -26.412 -4.953 1.00 70.23 H new ATOM 0 HE ARG A 83 -13.870 -27.905 -6.999 1.00 52.13 H new ATOM 0 HH11 ARG A 83 -12.896 -29.033 -3.785 1.00 14.02 H new ATOM 0 HH12 ARG A 83 -13.876 -30.500 -3.885 1.00 14.02 H new ATOM 0 HH21 ARG A 83 -15.096 -29.793 -7.120 1.00 32.14 H new ATOM 0 HH22 ARG A 83 -15.117 -30.929 -5.767 1.00 32.14 H new ATOM 1299 N VAL A 84 -7.743 -24.518 -5.221 1.00 60.34 N ATOM 1300 CA VAL A 84 -6.930 -23.504 -4.566 1.00 41.51 C ATOM 1301 C VAL A 84 -5.881 -22.936 -5.535 1.00 42.42 C ATOM 1302 O VAL A 84 -5.817 -21.723 -5.751 1.00 71.31 O ATOM 1303 CB VAL A 84 -6.256 -24.048 -3.271 1.00 4.13 C ATOM 1304 CG1 VAL A 84 -5.185 -25.092 -3.576 1.00 3.32 C ATOM 1305 CG2 VAL A 84 -5.683 -22.906 -2.436 1.00 65.02 C ATOM 0 H VAL A 84 -7.569 -25.473 -4.909 1.00 60.34 H new ATOM 0 HA VAL A 84 -7.596 -22.695 -4.268 1.00 41.51 H new ATOM 0 HB VAL A 84 -7.031 -24.546 -2.689 1.00 4.13 H new ATOM 0 HG11 VAL A 84 -4.743 -25.443 -2.644 1.00 3.32 H new ATOM 0 HG12 VAL A 84 -5.636 -25.933 -4.102 1.00 3.32 H new ATOM 0 HG13 VAL A 84 -4.410 -24.647 -4.200 1.00 3.32 H new ATOM 0 HG21 VAL A 84 -5.218 -23.310 -1.537 1.00 65.02 H new ATOM 0 HG22 VAL A 84 -4.937 -22.367 -3.020 1.00 65.02 H new ATOM 0 HG23 VAL A 84 -6.485 -22.224 -2.154 1.00 65.02 H new ATOM 1315 N ARG A 85 -5.104 -23.818 -6.165 1.00 32.12 N ATOM 1316 CA ARG A 85 -4.019 -23.402 -7.050 1.00 63.21 C ATOM 1317 C ARG A 85 -4.546 -22.539 -8.199 1.00 31.04 C ATOM 1318 O ARG A 85 -3.938 -21.533 -8.557 1.00 74.34 O ATOM 1319 CB ARG A 85 -3.265 -24.624 -7.602 1.00 13.42 C ATOM 1320 CG ARG A 85 -4.003 -25.376 -8.709 1.00 50.13 C ATOM 1321 CD ARG A 85 -3.303 -26.674 -9.103 1.00 12.03 C ATOM 1322 NE ARG A 85 -3.880 -27.239 -10.325 1.00 64.53 N ATOM 1323 CZ ARG A 85 -4.200 -28.526 -10.502 1.00 65.33 C ATOM 1324 NH1 ARG A 85 -4.024 -29.411 -9.529 1.00 14.52 N ATOM 1325 NH2 ARG A 85 -4.706 -28.918 -11.663 1.00 44.23 N ATOM 0 H ARG A 85 -5.208 -24.829 -6.077 1.00 32.12 H new ATOM 0 HA ARG A 85 -3.324 -22.802 -6.463 1.00 63.21 H new ATOM 0 HB2 ARG A 85 -2.298 -24.296 -7.985 1.00 13.42 H new ATOM 0 HB3 ARG A 85 -3.066 -25.314 -6.782 1.00 13.42 H new ATOM 0 HG2 ARG A 85 -5.017 -25.600 -8.377 1.00 50.13 H new ATOM 0 HG3 ARG A 85 -4.089 -24.733 -9.585 1.00 50.13 H new ATOM 0 HD2 ARG A 85 -2.240 -26.485 -9.253 1.00 12.03 H new ATOM 0 HD3 ARG A 85 -3.387 -27.396 -8.291 1.00 12.03 H new ATOM 0 HE ARG A 85 -4.051 -26.601 -11.102 1.00 64.53 H new ATOM 0 HH11 ARG A 85 -3.640 -29.113 -8.632 1.00 14.52 H new ATOM 0 HH12 ARG A 85 -4.272 -30.389 -9.678 1.00 14.52 H new ATOM 0 HH21 ARG A 85 -4.848 -28.240 -12.412 1.00 44.23 H new ATOM 0 HH22 ARG A 85 -4.953 -29.897 -11.807 1.00 44.23 H new ATOM 1339 N ARG A 86 -5.690 -22.931 -8.763 1.00 54.02 N ATOM 1340 CA ARG A 86 -6.285 -22.191 -9.882 1.00 61.13 C ATOM 1341 C ARG A 86 -6.709 -20.794 -9.427 1.00 43.24 C ATOM 1342 O ARG A 86 -6.548 -19.812 -10.156 1.00 52.32 O ATOM 1343 CB ARG A 86 -7.490 -22.945 -10.474 1.00 71.32 C ATOM 1344 CG ARG A 86 -8.754 -22.877 -9.619 1.00 70.13 C ATOM 1345 CD ARG A 86 -9.923 -23.632 -10.243 1.00 34.11 C ATOM 1346 NE ARG A 86 -11.170 -23.406 -9.506 1.00 1.42 N ATOM 1347 CZ ARG A 86 -12.315 -24.046 -9.748 1.00 31.40 C ATOM 1348 NH1 ARG A 86 -12.373 -24.995 -10.673 1.00 20.14 N ATOM 1349 NH2 ARG A 86 -13.406 -23.733 -9.060 1.00 54.51 N ATOM 0 H ARG A 86 -6.221 -23.750 -8.467 1.00 54.02 H new ATOM 0 HA ARG A 86 -5.529 -22.098 -10.662 1.00 61.13 H new ATOM 0 HB2 ARG A 86 -7.710 -22.537 -11.461 1.00 71.32 H new ATOM 0 HB3 ARG A 86 -7.216 -23.991 -10.615 1.00 71.32 H new ATOM 0 HG2 ARG A 86 -8.544 -23.290 -8.632 1.00 70.13 H new ATOM 0 HG3 ARG A 86 -9.035 -21.834 -9.474 1.00 70.13 H new ATOM 0 HD2 ARG A 86 -10.050 -23.315 -11.278 1.00 34.11 H new ATOM 0 HD3 ARG A 86 -9.699 -24.699 -10.261 1.00 34.11 H new ATOM 0 HE ARG A 86 -11.161 -22.713 -8.758 1.00 1.42 H new ATOM 0 HH11 ARG A 86 -11.538 -25.240 -11.205 1.00 20.14 H new ATOM 0 HH12 ARG A 86 -13.252 -25.480 -10.852 1.00 20.14 H new ATOM 0 HH21 ARG A 86 -13.368 -23.004 -8.348 1.00 54.51 H new ATOM 0 HH22 ARG A 86 -14.282 -24.221 -9.244 1.00 54.51 H new ATOM 1363 N HIS A 87 -7.236 -20.712 -8.205 1.00 53.04 N ATOM 1364 CA HIS A 87 -7.675 -19.440 -7.636 1.00 5.31 C ATOM 1365 C HIS A 87 -6.470 -18.547 -7.379 1.00 35.45 C ATOM 1366 O HIS A 87 -6.553 -17.323 -7.468 1.00 13.34 O ATOM 1367 CB HIS A 87 -8.455 -19.679 -6.335 1.00 31.33 C ATOM 1368 CG HIS A 87 -9.054 -18.436 -5.749 1.00 1.11 C ATOM 1369 ND1 HIS A 87 -10.198 -17.852 -6.243 1.00 60.25 N ATOM 1370 CD2 HIS A 87 -8.662 -17.666 -4.704 1.00 1.45 C ATOM 1371 CE1 HIS A 87 -10.484 -16.776 -5.532 1.00 50.53 C ATOM 1372 NE2 HIS A 87 -9.569 -16.642 -4.591 1.00 10.01 N ATOM 0 H HIS A 87 -7.369 -21.515 -7.590 1.00 53.04 H new ATOM 0 HA HIS A 87 -8.337 -18.943 -8.345 1.00 5.31 H new ATOM 0 HB2 HIS A 87 -9.251 -20.398 -6.527 1.00 31.33 H new ATOM 0 HB3 HIS A 87 -7.788 -20.130 -5.601 1.00 31.33 H new ATOM 0 HD2 HIS A 87 -7.797 -17.828 -4.077 1.00 1.45 H new ATOM 0 HE1 HIS A 87 -11.325 -16.117 -5.694 1.00 50.53 H new ATOM 0 HE2 HIS A 87 -9.540 -15.899 -3.893 1.00 10.01 H new ATOM 1381 N LEU A 88 -5.354 -19.181 -7.042 1.00 42.33 N ATOM 1382 CA LEU A 88 -4.087 -18.487 -6.835 1.00 61.31 C ATOM 1383 C LEU A 88 -3.474 -18.065 -8.173 1.00 10.22 C ATOM 1384 O LEU A 88 -2.842 -17.008 -8.273 1.00 2.44 O ATOM 1385 CB LEU A 88 -3.126 -19.398 -6.054 1.00 25.40 C ATOM 1386 CG LEU A 88 -3.275 -19.370 -4.518 1.00 72.03 C ATOM 1387 CD1 LEU A 88 -2.700 -18.076 -3.947 1.00 20.14 C ATOM 1388 CD2 LEU A 88 -4.730 -19.528 -4.091 1.00 1.22 C ATOM 0 H LEU A 88 -5.301 -20.190 -6.904 1.00 42.33 H new ATOM 0 HA LEU A 88 -4.267 -17.582 -6.255 1.00 61.31 H new ATOM 0 HB2 LEU A 88 -3.269 -20.423 -6.396 1.00 25.40 H new ATOM 0 HB3 LEU A 88 -2.103 -19.117 -6.306 1.00 25.40 H new ATOM 0 HG LEU A 88 -2.714 -20.216 -4.120 1.00 72.03 H new ATOM 0 HD11 LEU A 88 -2.814 -18.074 -2.863 1.00 20.14 H new ATOM 0 HD12 LEU A 88 -1.642 -18.005 -4.201 1.00 20.14 H new ATOM 0 HD13 LEU A 88 -3.233 -17.224 -4.369 1.00 20.14 H new ATOM 0 HD21 LEU A 88 -4.795 -19.503 -3.003 1.00 1.22 H new ATOM 0 HD22 LEU A 88 -5.322 -18.714 -4.508 1.00 1.22 H new ATOM 0 HD23 LEU A 88 -5.115 -20.480 -4.456 1.00 1.22 H new ATOM 1400 N ALA A 89 -3.687 -18.885 -9.199 1.00 50.41 N ATOM 1401 CA ALA A 89 -3.168 -18.610 -10.540 1.00 61.34 C ATOM 1402 C ALA A 89 -3.727 -17.294 -11.076 1.00 73.12 C ATOM 1403 O ALA A 89 -3.124 -16.652 -11.943 1.00 14.30 O ATOM 1404 CB ALA A 89 -3.499 -19.760 -11.486 1.00 24.15 C ATOM 0 H ALA A 89 -4.219 -19.752 -9.128 1.00 50.41 H new ATOM 0 HA ALA A 89 -2.084 -18.518 -10.476 1.00 61.34 H new ATOM 0 HB1 ALA A 89 -3.106 -19.539 -12.478 1.00 24.15 H new ATOM 0 HB2 ALA A 89 -3.047 -20.679 -11.113 1.00 24.15 H new ATOM 0 HB3 ALA A 89 -4.580 -19.884 -11.543 1.00 24.15 H new ATOM 1410 N LEU A 90 -4.890 -16.904 -10.558 1.00 4.52 N ATOM 1411 CA LEU A 90 -5.522 -15.641 -10.922 1.00 63.34 C ATOM 1412 C LEU A 90 -4.650 -14.460 -10.494 1.00 72.14 C ATOM 1413 O LEU A 90 -4.563 -13.447 -11.194 1.00 72.44 O ATOM 1414 CB LEU A 90 -6.910 -15.536 -10.274 1.00 43.21 C ATOM 1415 CG LEU A 90 -7.901 -16.651 -10.652 1.00 31.03 C ATOM 1416 CD1 LEU A 90 -9.230 -16.464 -9.924 1.00 12.54 C ATOM 1417 CD2 LEU A 90 -8.112 -16.691 -12.165 1.00 12.44 C ATOM 0 H LEU A 90 -5.417 -17.452 -9.878 1.00 4.52 H new ATOM 0 HA LEU A 90 -5.635 -15.612 -12.006 1.00 63.34 H new ATOM 0 HB2 LEU A 90 -6.787 -15.534 -9.191 1.00 43.21 H new ATOM 0 HB3 LEU A 90 -7.348 -14.576 -10.547 1.00 43.21 H new ATOM 0 HG LEU A 90 -7.477 -17.606 -10.341 1.00 31.03 H new ATOM 0 HD11 LEU A 90 -9.915 -17.263 -10.206 1.00 12.54 H new ATOM 0 HD12 LEU A 90 -9.062 -16.493 -8.847 1.00 12.54 H new ATOM 0 HD13 LEU A 90 -9.663 -15.502 -10.198 1.00 12.54 H new ATOM 0 HD21 LEU A 90 -8.816 -17.486 -12.413 1.00 12.44 H new ATOM 0 HD22 LEU A 90 -8.511 -15.734 -12.502 1.00 12.44 H new ATOM 0 HD23 LEU A 90 -7.160 -16.882 -12.660 1.00 12.44 H new ATOM 1429 N GLN A 91 -4.009 -14.603 -9.334 1.00 52.33 N ATOM 1430 CA GLN A 91 -3.076 -13.597 -8.838 1.00 44.25 C ATOM 1431 C GLN A 91 -1.731 -13.758 -9.538 1.00 0.14 C ATOM 1432 O GLN A 91 -1.019 -12.781 -9.786 1.00 24.43 O ATOM 1433 CB GLN A 91 -2.894 -13.715 -7.315 1.00 40.32 C ATOM 1434 CG GLN A 91 -4.100 -13.277 -6.495 1.00 12.45 C ATOM 1435 CD GLN A 91 -5.310 -14.139 -6.751 1.00 74.20 C ATOM 1436 OE1 GLN A 91 -6.167 -13.815 -7.573 1.00 23.24 O ATOM 1437 NE2 GLN A 91 -5.368 -15.264 -6.077 1.00 3.21 N ATOM 0 H GLN A 91 -4.121 -15.410 -8.720 1.00 52.33 H new ATOM 0 HA GLN A 91 -3.485 -12.610 -9.054 1.00 44.25 H new ATOM 0 HB2 GLN A 91 -2.662 -14.751 -7.070 1.00 40.32 H new ATOM 0 HB3 GLN A 91 -2.033 -13.116 -7.018 1.00 40.32 H new ATOM 0 HG2 GLN A 91 -3.848 -13.314 -5.435 1.00 12.45 H new ATOM 0 HG3 GLN A 91 -4.339 -12.240 -6.730 1.00 12.45 H new ATOM 0 HE21 GLN A 91 -4.636 -15.494 -5.405 1.00 3.21 H new ATOM 0 HE22 GLN A 91 -6.145 -15.908 -6.226 1.00 3.21 H new ATOM 1446 N GLY A 92 -1.395 -15.005 -9.852 1.00 11.13 N ATOM 1447 CA GLY A 92 -0.158 -15.296 -10.558 1.00 34.23 C ATOM 1448 C GLY A 92 0.292 -16.730 -10.355 1.00 75.14 C ATOM 1449 O GLY A 92 -0.253 -17.445 -9.512 1.00 41.34 O ATOM 0 H GLY A 92 -1.960 -15.824 -9.629 1.00 11.13 H new ATOM 0 HA2 GLY A 92 -0.296 -15.107 -11.623 1.00 34.23 H new ATOM 0 HA3 GLY A 92 0.624 -14.619 -10.213 1.00 34.23 H new ATOM 1453 N TRP A 93 1.287 -17.151 -11.130 1.00 61.24 N ATOM 1454 CA TRP A 93 1.845 -18.494 -11.013 1.00 33.44 C ATOM 1455 C TRP A 93 3.375 -18.418 -11.011 1.00 44.25 C ATOM 1456 O TRP A 93 4.026 -18.660 -12.030 1.00 71.23 O ATOM 1457 CB TRP A 93 1.344 -19.388 -12.157 1.00 43.23 C ATOM 1458 CG TRP A 93 1.575 -20.851 -11.921 1.00 30.43 C ATOM 1459 CD1 TRP A 93 2.570 -21.628 -12.442 1.00 31.35 C ATOM 1460 CD2 TRP A 93 0.790 -21.712 -11.088 1.00 22.14 C ATOM 1461 NE1 TRP A 93 2.439 -22.921 -11.999 1.00 14.44 N ATOM 1462 CE2 TRP A 93 1.355 -22.997 -11.165 1.00 25.43 C ATOM 1463 CE3 TRP A 93 -0.339 -21.515 -10.290 1.00 50.15 C ATOM 1464 CZ2 TRP A 93 0.829 -24.082 -10.469 1.00 43.01 C ATOM 1465 CZ3 TRP A 93 -0.860 -22.590 -9.600 1.00 15.35 C ATOM 1466 CH2 TRP A 93 -0.279 -23.861 -9.696 1.00 55.20 C ATOM 0 H TRP A 93 1.726 -16.577 -11.850 1.00 61.24 H new ATOM 0 HA TRP A 93 1.514 -18.937 -10.073 1.00 33.44 H new ATOM 0 HB2 TRP A 93 0.277 -19.216 -12.301 1.00 43.23 H new ATOM 0 HB3 TRP A 93 1.842 -19.094 -13.081 1.00 43.23 H new ATOM 0 HD1 TRP A 93 3.346 -21.277 -13.105 1.00 31.35 H new ATOM 0 HE1 TRP A 93 3.050 -23.699 -12.250 1.00 14.44 H new ATOM 0 HE3 TRP A 93 -0.796 -20.539 -10.214 1.00 50.15 H new ATOM 0 HZ2 TRP A 93 1.278 -25.062 -10.536 1.00 43.01 H new ATOM 0 HZ3 TRP A 93 -1.730 -22.449 -8.976 1.00 15.35 H new ATOM 0 HH2 TRP A 93 -0.714 -24.684 -9.149 1.00 55.20 H new ATOM 1477 N PRO A 94 3.965 -18.043 -9.861 1.00 44.24 N ATOM 1478 CA PRO A 94 5.414 -17.843 -9.733 1.00 44.31 C ATOM 1479 C PRO A 94 6.184 -19.157 -9.596 1.00 13.14 C ATOM 1480 O PRO A 94 7.403 -19.191 -9.743 1.00 65.31 O ATOM 1481 CB PRO A 94 5.528 -17.012 -8.452 1.00 70.01 C ATOM 1482 CG PRO A 94 4.364 -17.443 -7.625 1.00 24.04 C ATOM 1483 CD PRO A 94 3.257 -17.774 -8.590 1.00 52.13 C ATOM 0 HA PRO A 94 5.844 -17.367 -10.615 1.00 44.31 H new ATOM 0 HB2 PRO A 94 6.471 -17.200 -7.939 1.00 70.01 H new ATOM 0 HB3 PRO A 94 5.489 -15.944 -8.666 1.00 70.01 H new ATOM 0 HG2 PRO A 94 4.620 -18.310 -7.016 1.00 24.04 H new ATOM 0 HG3 PRO A 94 4.059 -16.651 -6.941 1.00 24.04 H new ATOM 0 HD2 PRO A 94 2.684 -18.641 -8.260 1.00 52.13 H new ATOM 0 HD3 PRO A 94 2.554 -16.947 -8.691 1.00 52.13 H new ATOM 1491 N LEU A 95 5.458 -20.242 -9.333 1.00 20.13 N ATOM 1492 CA LEU A 95 6.076 -21.552 -9.113 1.00 2.45 C ATOM 1493 C LEU A 95 6.845 -22.046 -10.341 1.00 23.05 C ATOM 1494 O LEU A 95 7.684 -22.937 -10.230 1.00 42.11 O ATOM 1495 CB LEU A 95 5.015 -22.592 -8.712 1.00 12.24 C ATOM 1496 CG LEU A 95 4.883 -22.844 -7.200 1.00 45.14 C ATOM 1497 CD1 LEU A 95 4.374 -21.601 -6.467 1.00 71.12 C ATOM 1498 CD2 LEU A 95 3.977 -24.041 -6.935 1.00 44.11 C ATOM 0 H LEU A 95 4.440 -20.242 -9.267 1.00 20.13 H new ATOM 0 HA LEU A 95 6.792 -21.429 -8.300 1.00 2.45 H new ATOM 0 HB2 LEU A 95 4.048 -22.267 -9.096 1.00 12.24 H new ATOM 0 HB3 LEU A 95 5.252 -23.536 -9.202 1.00 12.24 H new ATOM 0 HG LEU A 95 5.876 -23.069 -6.811 1.00 45.14 H new ATOM 0 HD11 LEU A 95 4.293 -21.815 -5.401 1.00 71.12 H new ATOM 0 HD12 LEU A 95 5.071 -20.777 -6.620 1.00 71.12 H new ATOM 0 HD13 LEU A 95 3.395 -21.324 -6.857 1.00 71.12 H new ATOM 0 HD21 LEU A 95 3.895 -24.205 -5.860 1.00 44.11 H new ATOM 0 HD22 LEU A 95 2.987 -23.847 -7.349 1.00 44.11 H new ATOM 0 HD23 LEU A 95 4.400 -24.929 -7.406 1.00 44.11 H new ATOM 1510 N ASP A 96 6.551 -21.482 -11.505 1.00 4.21 N ATOM 1511 CA ASP A 96 7.179 -21.941 -12.745 1.00 41.33 C ATOM 1512 C ASP A 96 8.303 -21.001 -13.182 1.00 64.42 C ATOM 1513 O ASP A 96 9.087 -21.325 -14.080 1.00 63.40 O ATOM 1514 CB ASP A 96 6.125 -22.080 -13.846 1.00 13.44 C ATOM 1515 CG ASP A 96 6.649 -22.824 -15.061 1.00 10.32 C ATOM 1516 OD1 ASP A 96 7.236 -23.918 -14.887 1.00 32.34 O ATOM 1517 OD2 ASP A 96 6.458 -22.334 -16.195 1.00 52.41 O ATOM 0 H ASP A 96 5.890 -20.714 -11.621 1.00 4.21 H new ATOM 0 HA ASP A 96 7.625 -22.918 -12.561 1.00 41.33 H new ATOM 0 HB2 ASP A 96 5.256 -22.605 -13.449 1.00 13.44 H new ATOM 0 HB3 ASP A 96 5.787 -21.089 -14.149 1.00 13.44 H new ATOM 1522 N ASP A 97 8.390 -19.846 -12.525 1.00 25.14 N ATOM 1523 CA ASP A 97 9.428 -18.855 -12.813 1.00 42.42 C ATOM 1524 C ASP A 97 10.156 -18.480 -11.527 1.00 63.11 C ATOM 1525 O ASP A 97 9.737 -17.570 -10.808 1.00 10.23 O ATOM 1526 CB ASP A 97 8.829 -17.603 -13.472 1.00 35.12 C ATOM 1527 CG ASP A 97 8.365 -17.860 -14.897 1.00 13.01 C ATOM 1528 OD1 ASP A 97 9.195 -17.744 -15.827 1.00 25.30 O ATOM 1529 OD2 ASP A 97 7.169 -18.166 -15.101 1.00 24.13 O ATOM 0 H ASP A 97 7.748 -19.571 -11.782 1.00 25.14 H new ATOM 0 HA ASP A 97 10.139 -19.294 -13.513 1.00 42.42 H new ATOM 0 HB2 ASP A 97 7.986 -17.251 -12.877 1.00 35.12 H new ATOM 0 HB3 ASP A 97 9.573 -16.806 -13.474 1.00 35.12 H new ATOM 1534 N PRO A 98 11.247 -19.198 -11.211 1.00 61.44 N ATOM 1535 CA PRO A 98 11.983 -19.007 -9.965 1.00 22.22 C ATOM 1536 C PRO A 98 13.002 -17.869 -10.043 1.00 64.45 C ATOM 1537 O PRO A 98 13.464 -17.505 -11.125 1.00 40.33 O ATOM 1538 CB PRO A 98 12.684 -20.356 -9.788 1.00 75.31 C ATOM 1539 CG PRO A 98 12.964 -20.815 -11.183 1.00 75.22 C ATOM 1540 CD PRO A 98 11.853 -20.258 -12.047 1.00 2.44 C ATOM 0 HA PRO A 98 11.332 -18.726 -9.137 1.00 22.22 H new ATOM 0 HB2 PRO A 98 13.603 -20.254 -9.211 1.00 75.31 H new ATOM 0 HB3 PRO A 98 12.051 -21.066 -9.256 1.00 75.31 H new ATOM 0 HG2 PRO A 98 13.936 -20.457 -11.522 1.00 75.22 H new ATOM 0 HG3 PRO A 98 12.989 -21.903 -11.236 1.00 75.22 H new ATOM 0 HD2 PRO A 98 12.239 -19.856 -12.984 1.00 2.44 H new ATOM 0 HD3 PRO A 98 11.125 -21.027 -12.306 1.00 2.44 H new ATOM 1548 N ARG A 99 13.331 -17.300 -8.884 1.00 2.21 N ATOM 1549 CA ARG A 99 14.386 -16.287 -8.779 1.00 74.20 C ATOM 1550 C ARG A 99 15.697 -16.849 -9.302 1.00 12.43 C ATOM 1551 O ARG A 99 16.391 -16.233 -10.109 1.00 11.52 O ATOM 1552 CB ARG A 99 14.557 -15.844 -7.314 1.00 55.11 C ATOM 1553 CG ARG A 99 14.605 -17.000 -6.313 1.00 55.34 C ATOM 1554 CD ARG A 99 14.838 -16.528 -4.885 1.00 0.14 C ATOM 1555 NE ARG A 99 14.804 -17.649 -3.948 1.00 74.25 N ATOM 1556 CZ ARG A 99 15.697 -17.858 -2.982 1.00 14.31 C ATOM 1557 NH1 ARG A 99 16.716 -17.024 -2.806 1.00 71.15 N ATOM 1558 NH2 ARG A 99 15.571 -18.918 -2.200 1.00 34.22 N ATOM 0 H ARG A 99 12.880 -17.524 -7.997 1.00 2.21 H new ATOM 0 HA ARG A 99 14.101 -15.422 -9.378 1.00 74.20 H new ATOM 0 HB2 ARG A 99 15.475 -15.263 -7.226 1.00 55.11 H new ATOM 0 HB3 ARG A 99 13.734 -15.181 -7.048 1.00 55.11 H new ATOM 0 HG2 ARG A 99 13.668 -17.556 -6.360 1.00 55.34 H new ATOM 0 HG3 ARG A 99 15.399 -17.690 -6.598 1.00 55.34 H new ATOM 0 HD2 ARG A 99 15.802 -16.023 -4.818 1.00 0.14 H new ATOM 0 HD3 ARG A 99 14.076 -15.798 -4.611 1.00 0.14 H new ATOM 0 HE ARG A 99 14.041 -18.320 -4.040 1.00 74.25 H new ATOM 0 HH11 ARG A 99 16.821 -16.212 -3.414 1.00 71.15 H new ATOM 0 HH12 ARG A 99 17.393 -17.196 -2.062 1.00 71.15 H new ATOM 0 HH21 ARG A 99 14.796 -19.566 -2.340 1.00 34.22 H new ATOM 0 HH22 ARG A 99 16.249 -19.087 -1.457 1.00 34.22 H new ATOM 1572 N ASP A 100 16.006 -18.040 -8.830 1.00 34.03 N ATOM 1573 CA ASP A 100 17.227 -18.749 -9.223 1.00 4.54 C ATOM 1574 C ASP A 100 16.875 -20.051 -9.934 1.00 5.05 C ATOM 1575 O ASP A 100 15.845 -20.663 -9.647 1.00 4.23 O ATOM 1576 CB ASP A 100 18.114 -19.033 -7.996 1.00 74.24 C ATOM 1577 CG ASP A 100 19.427 -19.726 -8.355 1.00 41.42 C ATOM 1578 OD1 ASP A 100 20.020 -19.393 -9.405 1.00 53.41 O ATOM 1579 OD2 ASP A 100 19.887 -20.592 -7.571 1.00 64.40 O ATOM 0 H ASP A 100 15.425 -18.550 -8.164 1.00 34.03 H new ATOM 0 HA ASP A 100 17.787 -18.113 -9.909 1.00 4.54 H new ATOM 0 HB2 ASP A 100 18.333 -18.094 -7.488 1.00 74.24 H new ATOM 0 HB3 ASP A 100 17.562 -19.656 -7.292 1.00 74.24 H new ATOM 1584 N GLY A 101 17.737 -20.464 -10.852 1.00 74.34 N ATOM 1585 CA GLY A 101 17.490 -21.645 -11.654 1.00 25.12 C ATOM 1586 C GLY A 101 18.778 -22.376 -11.965 1.00 52.40 C ATOM 1587 O GLY A 101 19.506 -21.996 -12.879 1.00 71.02 O ATOM 0 H GLY A 101 18.618 -19.993 -11.058 1.00 74.34 H new ATOM 0 HA2 GLY A 101 16.810 -22.312 -11.124 1.00 25.12 H new ATOM 0 HA3 GLY A 101 16.997 -21.360 -12.584 1.00 25.12 H new ATOM 1591 N GLU A 102 19.057 -23.407 -11.177 1.00 61.22 N ATOM 1592 CA GLU A 102 20.284 -24.193 -11.300 1.00 32.33 C ATOM 1593 C GLU A 102 20.540 -24.628 -12.748 1.00 51.53 C ATOM 1594 O GLU A 102 19.958 -25.604 -13.228 1.00 60.02 O ATOM 1595 CB GLU A 102 20.199 -25.434 -10.399 1.00 34.42 C ATOM 1596 CG GLU A 102 19.858 -25.122 -8.945 1.00 13.32 C ATOM 1597 CD GLU A 102 19.761 -26.374 -8.091 1.00 54.40 C ATOM 1598 OE1 GLU A 102 18.699 -27.031 -8.102 1.00 2.40 O ATOM 1599 OE2 GLU A 102 20.753 -26.718 -7.414 1.00 20.04 O ATOM 0 H GLU A 102 18.438 -23.725 -10.431 1.00 61.22 H new ATOM 0 HA GLU A 102 21.115 -23.560 -10.988 1.00 32.33 H new ATOM 0 HB2 GLU A 102 19.446 -26.111 -10.801 1.00 34.42 H new ATOM 0 HB3 GLU A 102 21.152 -25.961 -10.433 1.00 34.42 H new ATOM 0 HG2 GLU A 102 20.619 -24.461 -8.530 1.00 13.32 H new ATOM 0 HG3 GLU A 102 18.911 -24.584 -8.904 1.00 13.32 H new ATOM 1606 N GLU A 103 21.398 -23.885 -13.444 1.00 70.30 N ATOM 1607 CA GLU A 103 21.792 -24.230 -14.811 1.00 12.44 C ATOM 1608 C GLU A 103 23.250 -24.712 -14.877 1.00 42.42 C ATOM 1609 O GLU A 103 23.514 -25.803 -15.383 1.00 71.41 O ATOM 1610 CB GLU A 103 21.564 -23.049 -15.769 1.00 24.55 C ATOM 1611 CG GLU A 103 20.099 -22.683 -15.967 1.00 24.21 C ATOM 1612 CD GLU A 103 19.927 -21.483 -16.882 1.00 42.24 C ATOM 1613 OE1 GLU A 103 20.017 -21.654 -18.116 1.00 42.02 O ATOM 1614 OE2 GLU A 103 19.718 -20.362 -16.370 1.00 25.23 O ATOM 0 H GLU A 103 21.836 -23.037 -13.083 1.00 70.30 H new ATOM 0 HA GLU A 103 21.157 -25.056 -15.131 1.00 12.44 H new ATOM 0 HB2 GLU A 103 22.097 -22.178 -15.388 1.00 24.55 H new ATOM 0 HB3 GLU A 103 22.001 -23.291 -16.738 1.00 24.55 H new ATOM 0 HG2 GLU A 103 19.566 -23.537 -16.386 1.00 24.21 H new ATOM 0 HG3 GLU A 103 19.646 -22.468 -14.999 1.00 24.21 H new ATOM 1621 N PRO A 104 24.224 -23.924 -14.355 1.00 15.24 N ATOM 1622 CA PRO A 104 25.639 -24.308 -14.378 1.00 63.11 C ATOM 1623 C PRO A 104 25.999 -25.231 -13.214 1.00 31.14 C ATOM 1624 O PRO A 104 27.146 -25.666 -13.079 1.00 73.41 O ATOM 1625 CB PRO A 104 26.352 -22.960 -14.241 1.00 43.14 C ATOM 1626 CG PRO A 104 25.444 -22.156 -13.374 1.00 23.44 C ATOM 1627 CD PRO A 104 24.036 -22.607 -13.707 1.00 13.25 C ATOM 0 HA PRO A 104 25.912 -24.865 -15.274 1.00 63.11 H new ATOM 0 HB2 PRO A 104 27.337 -23.074 -13.789 1.00 43.14 H new ATOM 0 HB3 PRO A 104 26.499 -22.486 -15.212 1.00 43.14 H new ATOM 0 HG2 PRO A 104 25.666 -22.319 -12.320 1.00 23.44 H new ATOM 0 HG3 PRO A 104 25.567 -21.090 -13.564 1.00 23.44 H new ATOM 0 HD2 PRO A 104 23.421 -22.688 -12.811 1.00 13.25 H new ATOM 0 HD3 PRO A 104 23.538 -21.902 -14.373 1.00 13.25 H new ATOM 1635 N ASP A 105 25.006 -25.523 -12.376 1.00 4.41 N ATOM 1636 CA ASP A 105 25.193 -26.380 -11.206 1.00 54.35 C ATOM 1637 C ASP A 105 25.204 -27.850 -11.610 1.00 44.21 C ATOM 1638 O ASP A 105 24.328 -28.631 -11.219 1.00 12.41 O ATOM 1639 CB ASP A 105 24.098 -26.120 -10.160 1.00 3.32 C ATOM 1640 CG ASP A 105 24.203 -24.735 -9.545 1.00 1.22 C ATOM 1641 OD1 ASP A 105 25.034 -24.548 -8.627 1.00 55.20 O ATOM 1642 OD2 ASP A 105 23.459 -23.827 -9.976 1.00 52.25 O ATOM 0 H ASP A 105 24.054 -25.175 -12.488 1.00 4.41 H new ATOM 0 HA ASP A 105 26.158 -26.138 -10.761 1.00 54.35 H new ATOM 0 HB2 ASP A 105 23.119 -26.235 -10.626 1.00 3.32 H new ATOM 0 HB3 ASP A 105 24.166 -26.871 -9.372 1.00 3.32 H new ATOM 1647 N GLY A 106 26.207 -28.216 -12.397 1.00 62.13 N ATOM 1648 CA GLY A 106 26.356 -29.582 -12.859 1.00 11.31 C ATOM 1649 C GLY A 106 27.793 -29.893 -13.216 1.00 65.20 C ATOM 1650 O GLY A 106 28.065 -30.653 -14.152 1.00 31.24 O ATOM 0 H GLY A 106 26.931 -27.579 -12.728 1.00 62.13 H new ATOM 0 HA2 GLY A 106 26.016 -30.269 -12.084 1.00 11.31 H new ATOM 0 HA3 GLY A 106 25.720 -29.744 -13.730 1.00 11.31 H new ATOM 1654 N GLU A 107 28.716 -29.300 -12.461 1.00 23.42 N ATOM 1655 CA GLU A 107 30.144 -29.484 -12.693 1.00 2.20 C ATOM 1656 C GLU A 107 30.562 -30.901 -12.313 1.00 40.21 C ATOM 1657 O GLU A 107 30.667 -31.233 -11.129 1.00 12.10 O ATOM 1658 CB GLU A 107 30.958 -28.459 -11.890 1.00 33.32 C ATOM 1659 CG GLU A 107 32.467 -28.568 -12.095 1.00 33.22 C ATOM 1660 CD GLU A 107 33.252 -27.605 -11.217 1.00 63.21 C ATOM 1661 OE1 GLU A 107 33.485 -26.456 -11.641 1.00 44.23 O ATOM 1662 OE2 GLU A 107 33.639 -27.994 -10.097 1.00 2.52 O ATOM 0 H GLU A 107 28.496 -28.684 -11.678 1.00 23.42 H new ATOM 0 HA GLU A 107 30.343 -29.330 -13.753 1.00 2.20 H new ATOM 0 HB2 GLU A 107 30.635 -27.456 -12.168 1.00 33.32 H new ATOM 0 HB3 GLU A 107 30.736 -28.583 -10.830 1.00 33.32 H new ATOM 0 HG2 GLU A 107 32.785 -29.589 -11.882 1.00 33.22 H new ATOM 0 HG3 GLU A 107 32.702 -28.373 -13.141 1.00 33.22 H new ATOM 1669 N SER A 108 30.770 -31.734 -13.321 1.00 21.32 N ATOM 1670 CA SER A 108 31.175 -33.115 -13.116 1.00 31.33 C ATOM 1671 C SER A 108 32.699 -33.221 -13.162 1.00 60.00 C ATOM 1672 O SER A 108 33.308 -33.056 -14.223 1.00 11.30 O ATOM 1673 CB SER A 108 30.536 -34.002 -14.193 1.00 12.23 C ATOM 1674 OG SER A 108 30.771 -35.380 -13.948 1.00 51.11 O ATOM 0 H SER A 108 30.663 -31.472 -14.301 1.00 21.32 H new ATOM 0 HA SER A 108 30.836 -33.454 -12.137 1.00 31.33 H new ATOM 0 HB2 SER A 108 29.462 -33.817 -14.227 1.00 12.23 H new ATOM 0 HB3 SER A 108 30.937 -33.733 -15.170 1.00 12.23 H new ATOM 0 HG SER A 108 30.348 -35.914 -14.653 1.00 51.11 H new ATOM 1680 N GLY A 109 33.313 -33.466 -12.008 1.00 11.40 N ATOM 1681 CA GLY A 109 34.755 -33.600 -11.942 1.00 74.12 C ATOM 1682 C GLY A 109 35.284 -33.515 -10.523 1.00 72.41 C ATOM 1683 O GLY A 109 34.552 -33.767 -9.558 1.00 14.04 O ATOM 0 H GLY A 109 32.834 -33.574 -11.114 1.00 11.40 H new ATOM 0 HA2 GLY A 109 35.048 -34.555 -12.378 1.00 74.12 H new ATOM 0 HA3 GLY A 109 35.217 -32.819 -12.546 1.00 74.12 H new ATOM 1687 N GLY A 110 36.555 -33.156 -10.397 1.00 13.43 N ATOM 1688 CA GLY A 110 37.189 -33.058 -9.098 1.00 33.40 C ATOM 1689 C GLY A 110 38.568 -32.441 -9.200 1.00 63.40 C ATOM 1690 O GLY A 110 38.870 -31.764 -10.188 1.00 25.54 O ATOM 0 H GLY A 110 37.164 -32.928 -11.183 1.00 13.43 H new ATOM 0 HA2 GLY A 110 36.568 -32.457 -8.433 1.00 33.40 H new ATOM 0 HA3 GLY A 110 37.265 -34.050 -8.653 1.00 33.40 H new ATOM 1694 N PRO A 111 39.441 -32.663 -8.202 1.00 53.01 N ATOM 1695 CA PRO A 111 40.791 -32.102 -8.192 1.00 61.42 C ATOM 1696 C PRO A 111 41.689 -32.788 -9.222 1.00 45.21 C ATOM 1697 O PRO A 111 42.251 -33.856 -8.960 1.00 22.42 O ATOM 1698 CB PRO A 111 41.298 -32.356 -6.758 1.00 10.14 C ATOM 1699 CG PRO A 111 40.118 -32.873 -5.996 1.00 0.34 C ATOM 1700 CD PRO A 111 39.192 -33.483 -7.010 1.00 40.33 C ATOM 0 HA PRO A 111 40.799 -31.045 -8.457 1.00 61.42 H new ATOM 0 HB2 PRO A 111 42.114 -33.079 -6.754 1.00 10.14 H new ATOM 0 HB3 PRO A 111 41.682 -31.439 -6.310 1.00 10.14 H new ATOM 0 HG2 PRO A 111 40.427 -33.613 -5.257 1.00 0.34 H new ATOM 0 HG3 PRO A 111 39.623 -32.068 -5.453 1.00 0.34 H new ATOM 0 HD2 PRO A 111 39.419 -34.534 -7.186 1.00 40.33 H new ATOM 0 HD3 PRO A 111 38.151 -33.431 -6.692 1.00 40.33 H new ATOM 1708 N ARG A 112 41.782 -32.189 -10.404 1.00 2.23 N ATOM 1709 CA ARG A 112 42.622 -32.716 -11.477 1.00 23.43 C ATOM 1710 C ARG A 112 44.104 -32.548 -11.125 1.00 64.04 C ATOM 1711 O ARG A 112 44.582 -31.396 -11.052 1.00 53.13 O ATOM 1712 CB ARG A 112 42.284 -32.047 -12.826 1.00 24.42 C ATOM 1713 CG ARG A 112 42.200 -30.524 -12.776 1.00 72.30 C ATOM 1714 CD ARG A 112 41.843 -29.919 -14.132 1.00 52.41 C ATOM 1715 NE ARG A 112 42.884 -30.159 -15.132 1.00 62.15 N ATOM 1716 CZ ARG A 112 42.949 -29.550 -16.319 1.00 31.24 C ATOM 1717 NH1 ARG A 112 42.009 -28.685 -16.683 1.00 32.13 N ATOM 1718 NH2 ARG A 112 43.952 -29.815 -17.143 1.00 30.31 N ATOM 1719 OXT ARG A 112 44.783 -33.569 -10.899 1.00 0.00 O ATOM 0 H ARG A 112 41.283 -31.333 -10.646 1.00 2.23 H new ATOM 0 HA ARG A 112 42.418 -33.781 -11.583 1.00 23.43 H new ATOM 0 HB2 ARG A 112 43.040 -32.332 -13.558 1.00 24.42 H new ATOM 0 HB3 ARG A 112 41.331 -32.439 -13.182 1.00 24.42 H new ATOM 0 HG2 ARG A 112 41.453 -30.227 -12.040 1.00 72.30 H new ATOM 0 HG3 ARG A 112 43.155 -30.120 -12.441 1.00 72.30 H new ATOM 0 HD2 ARG A 112 40.901 -30.342 -14.481 1.00 52.41 H new ATOM 0 HD3 ARG A 112 41.688 -28.846 -14.020 1.00 52.41 H new ATOM 0 HE ARG A 112 43.611 -30.839 -14.907 1.00 62.15 H new ATOM 0 HH11 ARG A 112 41.232 -28.482 -16.055 1.00 32.13 H new ATOM 0 HH12 ARG A 112 42.065 -28.223 -17.591 1.00 32.13 H new ATOM 0 HH21 ARG A 112 44.673 -30.483 -16.871 1.00 30.31 H new ATOM 0 HH22 ARG A 112 44.003 -29.351 -18.050 1.00 30.31 H new TER 1733 ARG A 112