USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 600 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 Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HE2:sc= -0.412 K(o=-0.41,f=-2.5) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.234 USER MOD Single : A 35 SER OG : rot 116:sc= 0.943 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -147:sc= -0.0138 USER MOD Single : A 45 ASN : amide:sc= -0.0155 K(o=-0.015,f=-4!) USER MOD Single : A 48 MET CE :methyl -114:sc= -0.204 (180deg=-1.67!) USER MOD Single : A 50 LYS NZ :NH3+ 164:sc= -0.543 (180deg=-1.55!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN :FLIP amide:sc= -3.06! C(o=-4.4!,f=-3.1!) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 MET CE :methyl -177:sc= -2.45 (180deg=-2.71) USER MOD Single : A 60 ASN : amide:sc= -10.7! C(o=-11!,f=-23!) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.732 USER MOD Single : A 66 ASN : amide:sc= -0.0209 X(o=-0.021,f=-0.16) USER MOD Single : A 67 THR OG1 : rot 91:sc= 0.321 USER MOD Single : A 68 MET CE :methyl -158:sc= -2.34! (180deg=-2.98!) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 115:sc= -5.66! USER MOD Single : A 73 THR OG1 : rot 37:sc= 0.24 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 16 -10.634 4.128 0.652 1.00 0.00 N ATOM 49 CA SER A 16 -10.712 2.952 1.512 1.00 0.00 C ATOM 50 C SER A 16 -9.523 2.893 2.465 1.00 0.00 C ATOM 51 O SER A 16 -8.585 3.682 2.352 1.00 0.00 O ATOM 52 CB SER A 16 -10.765 1.678 0.668 1.00 0.00 C ATOM 53 OG SER A 16 -12.104 1.294 0.405 1.00 0.00 O ATOM 0 HA SER A 16 -11.625 3.027 2.103 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.239 1.839 -0.273 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.248 0.872 1.188 1.00 0.00 H new ATOM 0 HG SER A 16 -12.110 0.478 -0.138 1.00 0.00 H new ATOM 59 N ARG A 17 -9.570 1.954 3.403 1.00 0.00 N ATOM 60 CA ARG A 17 -8.496 1.791 4.377 1.00 0.00 C ATOM 61 C ARG A 17 -7.417 0.852 3.845 1.00 0.00 C ATOM 62 O ARG A 17 -6.260 0.922 4.259 1.00 0.00 O ATOM 63 CB ARG A 17 -9.053 1.255 5.697 1.00 0.00 C ATOM 64 CG ARG A 17 -10.138 2.131 6.300 1.00 0.00 C ATOM 65 CD ARG A 17 -11.484 1.423 6.311 1.00 0.00 C ATOM 66 NE ARG A 17 -12.554 2.288 6.799 1.00 0.00 N ATOM 67 CZ ARG A 17 -13.750 1.842 7.166 1.00 0.00 C ATOM 68 NH1 ARG A 17 -14.027 0.547 7.098 1.00 0.00 N ATOM 69 NH2 ARG A 17 -14.673 2.691 7.600 1.00 0.00 N ATOM 0 H ARG A 17 -10.340 1.294 3.510 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.046 2.768 4.552 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.455 0.255 5.533 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.237 1.157 6.413 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.862 2.405 7.318 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.218 3.057 5.731 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.723 1.084 5.303 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.421 0.535 6.940 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.373 3.290 6.862 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -13.321 -0.109 6.763 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -14.946 0.207 7.380 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.465 3.688 7.652 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -15.591 2.346 7.881 1.00 0.00 H new ATOM 83 N VAL A 18 -7.805 -0.026 2.926 1.00 0.00 N ATOM 84 CA VAL A 18 -6.871 -0.977 2.338 1.00 0.00 C ATOM 85 C VAL A 18 -6.172 -0.380 1.121 1.00 0.00 C ATOM 86 O VAL A 18 -6.798 -0.142 0.088 1.00 0.00 O ATOM 87 CB VAL A 18 -7.582 -2.278 1.920 1.00 0.00 C ATOM 88 CG1 VAL A 18 -6.597 -3.244 1.279 1.00 0.00 C ATOM 89 CG2 VAL A 18 -8.268 -2.919 3.116 1.00 0.00 C ATOM 0 H VAL A 18 -8.759 -0.098 2.573 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.130 -1.207 3.104 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.345 -2.032 1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.118 -4.157 0.991 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.158 -2.782 0.395 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.809 -3.486 1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.765 -3.837 2.802 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.526 -3.151 3.880 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.006 -2.229 3.525 1.00 0.00 H new ATOM 99 N ILE A 19 -4.872 -0.137 1.252 1.00 0.00 N ATOM 100 CA ILE A 19 -4.088 0.434 0.163 1.00 0.00 C ATOM 101 C ILE A 19 -3.358 -0.652 -0.620 1.00 0.00 C ATOM 102 O ILE A 19 -2.360 -1.202 -0.154 1.00 0.00 O ATOM 103 CB ILE A 19 -3.057 1.451 0.690 1.00 0.00 C ATOM 104 CG1 ILE A 19 -3.763 2.593 1.425 1.00 0.00 C ATOM 105 CG2 ILE A 19 -2.213 1.993 -0.454 1.00 0.00 C ATOM 106 CD1 ILE A 19 -4.701 3.390 0.544 1.00 0.00 C ATOM 0 H ILE A 19 -4.339 -0.326 2.101 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.789 0.944 -0.498 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.397 0.944 1.394 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.326 2.182 2.263 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.013 3.264 1.844 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.490 2.710 -0.065 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.685 1.171 -0.938 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.859 2.487 -1.180 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.166 4.182 1.131 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.140 3.831 -0.280 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.473 2.732 0.146 1.00 0.00 H new ATOM 118 N HIS A 20 -3.860 -0.952 -1.812 1.00 0.00 N ATOM 119 CA HIS A 20 -3.253 -1.971 -2.662 1.00 0.00 C ATOM 120 C HIS A 20 -2.024 -1.419 -3.377 1.00 0.00 C ATOM 121 O HIS A 20 -2.117 -0.456 -4.137 1.00 0.00 O ATOM 122 CB HIS A 20 -4.267 -2.483 -3.687 1.00 0.00 C ATOM 123 CG HIS A 20 -3.967 -3.861 -4.188 1.00 0.00 C ATOM 124 ND1 HIS A 20 -4.823 -4.569 -5.005 1.00 0.00 N ATOM 125 CD2 HIS A 20 -2.897 -4.664 -3.982 1.00 0.00 C ATOM 126 CE1 HIS A 20 -4.293 -5.747 -5.279 1.00 0.00 C ATOM 127 NE2 HIS A 20 -3.124 -5.829 -4.672 1.00 0.00 N ATOM 0 H HIS A 20 -4.685 -0.505 -2.212 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.941 -2.800 -2.027 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -5.260 -2.477 -3.238 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -4.295 -1.796 -4.533 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -5.725 -4.235 -5.345 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.027 -4.432 -3.386 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -4.740 -6.513 -5.895 1.00 0.00 H new ATOM 136 N ILE A 21 -0.873 -2.033 -3.126 1.00 0.00 N ATOM 137 CA ILE A 21 0.372 -1.597 -3.747 1.00 0.00 C ATOM 138 C ILE A 21 0.695 -2.429 -4.984 1.00 0.00 C ATOM 139 O ILE A 21 0.777 -3.656 -4.915 1.00 0.00 O ATOM 140 CB ILE A 21 1.552 -1.688 -2.762 1.00 0.00 C ATOM 141 CG1 ILE A 21 1.197 -1.006 -1.440 1.00 0.00 C ATOM 142 CG2 ILE A 21 2.799 -1.061 -3.370 1.00 0.00 C ATOM 143 CD1 ILE A 21 2.377 -0.840 -0.509 1.00 0.00 C ATOM 0 H ILE A 21 -0.776 -2.832 -2.499 1.00 0.00 H new ATOM 0 HA ILE A 21 0.229 -0.557 -4.040 1.00 0.00 H new ATOM 0 HB ILE A 21 1.758 -2.740 -2.562 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.770 -0.026 -1.650 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.426 -1.589 -0.936 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.625 -1.133 -2.662 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.061 -1.588 -4.287 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.606 -0.012 -3.596 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.051 -0.349 0.408 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.792 -1.819 -0.269 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.140 -0.232 -0.994 1.00 0.00 H new ATOM 155 N ARG A 22 0.882 -1.753 -6.112 1.00 0.00 N ATOM 156 CA ARG A 22 1.203 -2.430 -7.363 1.00 0.00 C ATOM 157 C ARG A 22 2.660 -2.191 -7.744 1.00 0.00 C ATOM 158 O ARG A 22 3.349 -1.384 -7.119 1.00 0.00 O ATOM 159 CB ARG A 22 0.281 -1.944 -8.484 1.00 0.00 C ATOM 160 CG ARG A 22 -1.065 -2.648 -8.514 1.00 0.00 C ATOM 161 CD ARG A 22 -1.469 -3.021 -9.932 1.00 0.00 C ATOM 162 NE ARG A 22 -1.536 -1.853 -10.806 1.00 0.00 N ATOM 163 CZ ARG A 22 -2.323 -1.777 -11.875 1.00 0.00 C ATOM 164 NH1 ARG A 22 -3.103 -2.798 -12.203 1.00 0.00 N ATOM 165 NH2 ARG A 22 -2.330 -0.679 -12.619 1.00 0.00 N ATOM 0 H ARG A 22 0.817 -0.738 -6.186 1.00 0.00 H new ATOM 0 HA ARG A 22 1.051 -3.500 -7.221 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.118 -0.872 -8.370 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.780 -2.091 -9.442 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.020 -3.547 -7.899 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.825 -2.000 -8.077 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.753 -3.736 -10.337 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.440 -3.517 -9.914 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.946 -1.051 -10.584 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.100 -3.645 -11.635 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.706 -2.736 -13.024 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.731 0.109 -12.371 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.934 -0.622 -13.439 1.00 0.00 H new ATOM 179 N LYS A 23 3.127 -2.900 -8.766 1.00 0.00 N ATOM 180 CA LYS A 23 4.507 -2.759 -9.213 1.00 0.00 C ATOM 181 C LYS A 23 5.455 -2.851 -8.026 1.00 0.00 C ATOM 182 O LYS A 23 6.441 -2.116 -7.945 1.00 0.00 O ATOM 183 CB LYS A 23 4.703 -1.423 -9.932 1.00 0.00 C ATOM 184 CG LYS A 23 5.317 -1.561 -11.315 1.00 0.00 C ATOM 185 CD LYS A 23 4.262 -1.875 -12.363 1.00 0.00 C ATOM 186 CE LYS A 23 4.289 -3.343 -12.758 1.00 0.00 C ATOM 187 NZ LYS A 23 5.096 -3.573 -13.988 1.00 0.00 N ATOM 0 H LYS A 23 2.575 -3.573 -9.297 1.00 0.00 H new ATOM 0 HA LYS A 23 4.728 -3.568 -9.909 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.739 -0.922 -10.020 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.340 -0.782 -9.323 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.831 -0.637 -11.580 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.067 -2.352 -11.304 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.276 -1.619 -11.976 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.428 -1.257 -13.245 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.701 -3.932 -11.938 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.270 -3.694 -12.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.089 -4.586 -14.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.689 -3.031 -14.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.075 -3.262 -13.824 1.00 0.00 H new ATOM 201 N LEU A 24 5.145 -3.751 -7.100 1.00 0.00 N ATOM 202 CA LEU A 24 5.961 -3.933 -5.910 1.00 0.00 C ATOM 203 C LEU A 24 6.318 -5.398 -5.707 1.00 0.00 C ATOM 204 O LEU A 24 5.526 -6.171 -5.168 1.00 0.00 O ATOM 205 CB LEU A 24 5.223 -3.406 -4.677 1.00 0.00 C ATOM 206 CG LEU A 24 5.823 -3.830 -3.334 1.00 0.00 C ATOM 207 CD1 LEU A 24 7.002 -2.942 -2.971 1.00 0.00 C ATOM 208 CD2 LEU A 24 4.765 -3.788 -2.242 1.00 0.00 C ATOM 0 H LEU A 24 4.333 -4.366 -7.152 1.00 0.00 H new ATOM 0 HA LEU A 24 6.884 -3.370 -6.048 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.203 -2.317 -4.722 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.188 -3.745 -4.719 1.00 0.00 H new ATOM 0 HG LEU A 24 6.183 -4.855 -3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.415 -3.259 -2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.769 -3.023 -3.741 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.669 -1.907 -2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.208 -4.092 -1.294 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.376 -2.774 -2.152 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.952 -4.468 -2.497 1.00 0.00 H new ATOM 220 N PRO A 25 7.524 -5.797 -6.130 1.00 0.00 N ATOM 221 CA PRO A 25 7.992 -7.176 -5.985 1.00 0.00 C ATOM 222 C PRO A 25 7.945 -7.632 -4.533 1.00 0.00 C ATOM 223 O PRO A 25 8.972 -7.677 -3.857 1.00 0.00 O ATOM 224 CB PRO A 25 9.440 -7.125 -6.484 1.00 0.00 C ATOM 225 CG PRO A 25 9.504 -5.917 -7.355 1.00 0.00 C ATOM 226 CD PRO A 25 8.528 -4.934 -6.772 1.00 0.00 C ATOM 0 HA PRO A 25 7.372 -7.882 -6.537 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.142 -7.050 -5.653 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.698 -8.027 -7.039 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.512 -5.502 -7.373 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.242 -6.163 -8.384 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.007 -4.270 -6.053 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.084 -4.303 -7.542 1.00 0.00 H new ATOM 234 N ILE A 26 6.741 -7.955 -4.059 1.00 0.00 N ATOM 235 CA ILE A 26 6.550 -8.397 -2.681 1.00 0.00 C ATOM 236 C ILE A 26 7.773 -9.150 -2.173 1.00 0.00 C ATOM 237 O ILE A 26 8.224 -10.112 -2.793 1.00 0.00 O ATOM 238 CB ILE A 26 5.292 -9.278 -2.542 1.00 0.00 C ATOM 239 CG1 ILE A 26 4.036 -8.413 -2.650 1.00 0.00 C ATOM 240 CG2 ILE A 26 5.303 -10.031 -1.220 1.00 0.00 C ATOM 241 CD1 ILE A 26 3.899 -7.404 -1.531 1.00 0.00 C ATOM 0 H ILE A 26 5.884 -7.918 -4.611 1.00 0.00 H new ATOM 0 HA ILE A 26 6.412 -7.504 -2.072 1.00 0.00 H new ATOM 0 HB ILE A 26 5.290 -10.010 -3.349 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.049 -7.886 -3.604 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.159 -9.060 -2.655 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.406 -10.646 -1.144 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.185 -10.669 -1.172 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.325 -9.318 -0.396 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.986 -6.826 -1.672 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.854 -7.925 -0.575 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.758 -6.733 -1.539 1.00 0.00 H new ATOM 253 N ASP A 27 8.299 -8.682 -1.044 1.00 0.00 N ATOM 254 CA ASP A 27 9.480 -9.264 -0.416 1.00 0.00 C ATOM 255 C ASP A 27 10.305 -8.174 0.264 1.00 0.00 C ATOM 256 O ASP A 27 11.175 -8.462 1.085 1.00 0.00 O ATOM 257 CB ASP A 27 10.344 -10.001 -1.439 1.00 0.00 C ATOM 258 CG ASP A 27 11.739 -10.288 -0.918 1.00 0.00 C ATOM 259 OD1 ASP A 27 12.618 -9.411 -1.060 1.00 0.00 O ATOM 260 OD2 ASP A 27 11.953 -11.389 -0.368 1.00 0.00 O ATOM 0 H ASP A 27 7.915 -7.884 -0.537 1.00 0.00 H new ATOM 0 HA ASP A 27 9.142 -9.983 0.330 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.860 -10.939 -1.710 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.414 -9.404 -2.348 1.00 0.00 H new ATOM 265 N VAL A 28 10.018 -6.919 -0.087 1.00 0.00 N ATOM 266 CA VAL A 28 10.723 -5.777 0.488 1.00 0.00 C ATOM 267 C VAL A 28 10.636 -5.810 2.009 1.00 0.00 C ATOM 268 O VAL A 28 10.469 -6.873 2.607 1.00 0.00 O ATOM 269 CB VAL A 28 10.164 -4.426 -0.026 1.00 0.00 C ATOM 270 CG1 VAL A 28 11.267 -3.380 -0.090 1.00 0.00 C ATOM 271 CG2 VAL A 28 9.508 -4.579 -1.391 1.00 0.00 C ATOM 0 H VAL A 28 9.301 -6.670 -0.768 1.00 0.00 H new ATOM 0 HA VAL A 28 11.764 -5.855 0.173 1.00 0.00 H new ATOM 0 HB VAL A 28 9.403 -4.095 0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.855 -2.438 -0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.687 -3.233 0.905 1.00 0.00 H new ATOM 0 HG13 VAL A 28 12.051 -3.719 -0.768 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.127 -3.613 -1.722 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.242 -4.944 -2.109 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.684 -5.289 -1.321 1.00 0.00 H new ATOM 281 N THR A 29 10.754 -4.650 2.637 1.00 0.00 N ATOM 282 CA THR A 29 10.693 -4.571 4.089 1.00 0.00 C ATOM 283 C THR A 29 9.616 -3.600 4.555 1.00 0.00 C ATOM 284 O THR A 29 9.346 -2.592 3.902 1.00 0.00 O ATOM 285 CB THR A 29 12.046 -4.142 4.684 1.00 0.00 C ATOM 286 OG1 THR A 29 12.307 -2.768 4.371 1.00 0.00 O ATOM 287 CG2 THR A 29 13.172 -5.012 4.145 1.00 0.00 C ATOM 0 H THR A 29 10.892 -3.755 2.168 1.00 0.00 H new ATOM 0 HA THR A 29 10.445 -5.572 4.443 1.00 0.00 H new ATOM 0 HB THR A 29 11.997 -4.264 5.766 1.00 0.00 H new ATOM 0 HG1 THR A 29 13.169 -2.503 4.755 1.00 0.00 H new ATOM 0 HG21 THR A 29 14.119 -4.691 4.579 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.986 -6.053 4.409 1.00 0.00 H new ATOM 0 HG23 THR A 29 13.219 -4.916 3.060 1.00 0.00 H new ATOM 295 N GLU A 30 9.007 -3.912 5.695 1.00 0.00 N ATOM 296 CA GLU A 30 7.963 -3.069 6.259 1.00 0.00 C ATOM 297 C GLU A 30 8.536 -1.728 6.700 1.00 0.00 C ATOM 298 O GLU A 30 8.005 -0.672 6.360 1.00 0.00 O ATOM 299 CB GLU A 30 7.299 -3.771 7.446 1.00 0.00 C ATOM 300 CG GLU A 30 6.925 -5.218 7.165 1.00 0.00 C ATOM 301 CD GLU A 30 8.011 -6.191 7.578 1.00 0.00 C ATOM 302 OE1 GLU A 30 8.409 -6.170 8.762 1.00 0.00 O ATOM 303 OE2 GLU A 30 8.464 -6.976 6.718 1.00 0.00 O ATOM 0 H GLU A 30 9.220 -4.744 6.245 1.00 0.00 H new ATOM 0 HA GLU A 30 7.213 -2.890 5.489 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.974 -3.738 8.301 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.401 -3.220 7.727 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.004 -5.461 7.695 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.721 -5.337 6.101 1.00 0.00 H new ATOM 310 N GLY A 31 9.630 -1.776 7.454 1.00 0.00 N ATOM 311 CA GLY A 31 10.258 -0.556 7.920 1.00 0.00 C ATOM 312 C GLY A 31 10.382 0.475 6.817 1.00 0.00 C ATOM 313 O GLY A 31 10.241 1.674 7.058 1.00 0.00 O ATOM 0 H GLY A 31 10.091 -2.637 7.749 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.676 -0.139 8.742 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.248 -0.786 8.315 1.00 0.00 H new ATOM 317 N GLU A 32 10.640 0.005 5.600 1.00 0.00 N ATOM 318 CA GLU A 32 10.775 0.889 4.451 1.00 0.00 C ATOM 319 C GLU A 32 9.405 1.259 3.895 1.00 0.00 C ATOM 320 O GLU A 32 9.029 2.431 3.874 1.00 0.00 O ATOM 321 CB GLU A 32 11.620 0.223 3.363 1.00 0.00 C ATOM 322 CG GLU A 32 12.327 1.213 2.451 1.00 0.00 C ATOM 323 CD GLU A 32 13.742 1.515 2.904 1.00 0.00 C ATOM 324 OE1 GLU A 32 14.455 0.567 3.295 1.00 0.00 O ATOM 325 OE2 GLU A 32 14.137 2.699 2.868 1.00 0.00 O ATOM 0 H GLU A 32 10.760 -0.985 5.386 1.00 0.00 H new ATOM 0 HA GLU A 32 11.276 1.800 4.778 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.364 -0.419 3.834 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.979 -0.421 2.760 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.351 0.814 1.437 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.755 2.140 2.415 1.00 0.00 H new ATOM 332 N VAL A 33 8.659 0.250 3.455 1.00 0.00 N ATOM 333 CA VAL A 33 7.327 0.471 2.910 1.00 0.00 C ATOM 334 C VAL A 33 6.476 1.278 3.886 1.00 0.00 C ATOM 335 O VAL A 33 6.014 2.375 3.567 1.00 0.00 O ATOM 336 CB VAL A 33 6.618 -0.861 2.599 1.00 0.00 C ATOM 337 CG1 VAL A 33 5.259 -0.609 1.963 1.00 0.00 C ATOM 338 CG2 VAL A 33 7.485 -1.728 1.694 1.00 0.00 C ATOM 0 H VAL A 33 8.955 -0.726 3.466 1.00 0.00 H new ATOM 0 HA VAL A 33 7.445 1.029 1.981 1.00 0.00 H new ATOM 0 HB VAL A 33 6.461 -1.395 3.536 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.774 -1.562 1.751 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.639 -0.031 2.648 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.389 -0.054 1.034 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.969 -2.665 1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.675 -1.201 0.759 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.432 -1.939 2.191 1.00 0.00 H new ATOM 348 N ILE A 34 6.284 0.734 5.084 1.00 0.00 N ATOM 349 CA ILE A 34 5.509 1.404 6.106 1.00 0.00 C ATOM 350 C ILE A 34 6.047 2.810 6.350 1.00 0.00 C ATOM 351 O ILE A 34 5.284 3.761 6.512 1.00 0.00 O ATOM 352 CB ILE A 34 5.530 0.596 7.409 1.00 0.00 C ATOM 353 CG1 ILE A 34 4.575 -0.584 7.288 1.00 0.00 C ATOM 354 CG2 ILE A 34 5.158 1.467 8.594 1.00 0.00 C ATOM 355 CD1 ILE A 34 4.642 -1.521 8.462 1.00 0.00 C ATOM 0 H ILE A 34 6.659 -0.172 5.365 1.00 0.00 H new ATOM 0 HA ILE A 34 4.479 1.482 5.759 1.00 0.00 H new ATOM 0 HB ILE A 34 6.541 0.224 7.578 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.556 -0.210 7.187 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.803 -1.136 6.377 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.180 0.870 9.506 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.870 2.288 8.680 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.156 1.870 8.449 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.938 -2.340 8.315 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.652 -1.922 8.550 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.385 -0.981 9.373 1.00 0.00 H new ATOM 367 N SER A 35 7.372 2.934 6.363 1.00 0.00 N ATOM 368 CA SER A 35 8.014 4.224 6.574 1.00 0.00 C ATOM 369 C SER A 35 7.430 5.262 5.625 1.00 0.00 C ATOM 370 O SER A 35 7.190 6.406 6.009 1.00 0.00 O ATOM 371 CB SER A 35 9.525 4.109 6.363 1.00 0.00 C ATOM 372 OG SER A 35 10.203 3.965 7.600 1.00 0.00 O ATOM 0 H SER A 35 8.019 2.157 6.230 1.00 0.00 H new ATOM 0 HA SER A 35 7.829 4.541 7.600 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.742 3.253 5.724 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.892 4.995 5.845 1.00 0.00 H new ATOM 0 HG SER A 35 10.636 3.086 7.636 1.00 0.00 H new ATOM 378 N LEU A 36 7.192 4.846 4.385 1.00 0.00 N ATOM 379 CA LEU A 36 6.620 5.731 3.380 1.00 0.00 C ATOM 380 C LEU A 36 5.197 6.109 3.766 1.00 0.00 C ATOM 381 O LEU A 36 4.708 7.181 3.412 1.00 0.00 O ATOM 382 CB LEU A 36 6.629 5.055 2.008 1.00 0.00 C ATOM 383 CG LEU A 36 7.895 5.282 1.179 1.00 0.00 C ATOM 384 CD1 LEU A 36 7.852 6.640 0.495 1.00 0.00 C ATOM 385 CD2 LEU A 36 9.134 5.164 2.055 1.00 0.00 C ATOM 0 H LEU A 36 7.387 3.901 4.053 1.00 0.00 H new ATOM 0 HA LEU A 36 7.225 6.636 3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.493 3.983 2.148 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.772 5.413 1.438 1.00 0.00 H new ATOM 0 HG LEU A 36 7.943 4.512 0.409 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.761 6.782 -0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.986 6.688 -0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.779 7.425 1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.025 5.328 1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.092 5.911 2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.174 4.168 2.496 1.00 0.00 H new ATOM 397 N GLY A 37 4.542 5.216 4.499 1.00 0.00 N ATOM 398 CA GLY A 37 3.180 5.465 4.931 1.00 0.00 C ATOM 399 C GLY A 37 3.117 6.353 6.159 1.00 0.00 C ATOM 400 O GLY A 37 2.085 6.966 6.435 1.00 0.00 O ATOM 0 H GLY A 37 4.931 4.323 4.802 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.624 5.933 4.119 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.691 4.515 5.147 1.00 0.00 H new ATOM 404 N LEU A 38 4.220 6.424 6.900 1.00 0.00 N ATOM 405 CA LEU A 38 4.276 7.246 8.104 1.00 0.00 C ATOM 406 C LEU A 38 3.684 8.625 7.839 1.00 0.00 C ATOM 407 O LEU A 38 2.744 9.046 8.514 1.00 0.00 O ATOM 408 CB LEU A 38 5.716 7.373 8.605 1.00 0.00 C ATOM 409 CG LEU A 38 5.983 6.738 9.972 1.00 0.00 C ATOM 410 CD1 LEU A 38 5.198 7.460 11.056 1.00 0.00 C ATOM 411 CD2 LEU A 38 5.629 5.259 9.949 1.00 0.00 C ATOM 0 H LEU A 38 5.084 5.924 6.688 1.00 0.00 H new ATOM 0 HA LEU A 38 3.684 6.757 8.878 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.381 6.916 7.873 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.976 8.430 8.655 1.00 0.00 H new ATOM 0 HG LEU A 38 7.045 6.833 10.197 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.399 6.996 12.021 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.499 8.507 11.087 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.132 7.395 10.838 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.825 4.823 10.929 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.574 5.141 9.704 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.235 4.752 9.198 1.00 0.00 H new ATOM 423 N PRO A 39 4.216 9.346 6.838 1.00 0.00 N ATOM 424 CA PRO A 39 3.719 10.675 6.479 1.00 0.00 C ATOM 425 C PRO A 39 2.250 10.621 6.082 1.00 0.00 C ATOM 426 O PRO A 39 1.546 11.630 6.101 1.00 0.00 O ATOM 427 CB PRO A 39 4.584 11.082 5.280 1.00 0.00 C ATOM 428 CG PRO A 39 5.784 10.200 5.346 1.00 0.00 C ATOM 429 CD PRO A 39 5.323 8.915 5.970 1.00 0.00 C ATOM 0 HA PRO A 39 3.783 11.380 7.308 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.046 10.945 4.342 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.865 12.134 5.336 1.00 0.00 H new ATOM 0 HG2 PRO A 39 6.194 10.025 4.351 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.574 10.660 5.940 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.991 8.198 5.219 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.119 8.435 6.539 1.00 0.00 H new ATOM 437 N PHE A 40 1.802 9.422 5.727 1.00 0.00 N ATOM 438 CA PHE A 40 0.421 9.198 5.324 1.00 0.00 C ATOM 439 C PHE A 40 -0.430 8.797 6.522 1.00 0.00 C ATOM 440 O PHE A 40 -1.532 8.274 6.367 1.00 0.00 O ATOM 441 CB PHE A 40 0.365 8.107 4.257 1.00 0.00 C ATOM 442 CG PHE A 40 1.339 8.329 3.137 1.00 0.00 C ATOM 443 CD1 PHE A 40 1.788 9.606 2.842 1.00 0.00 C ATOM 444 CD2 PHE A 40 1.810 7.266 2.385 1.00 0.00 C ATOM 445 CE1 PHE A 40 2.689 9.819 1.817 1.00 0.00 C ATOM 446 CE2 PHE A 40 2.711 7.473 1.357 1.00 0.00 C ATOM 447 CZ PHE A 40 3.151 8.750 1.073 1.00 0.00 C ATOM 0 H PHE A 40 2.383 8.584 5.711 1.00 0.00 H new ATOM 0 HA PHE A 40 0.023 10.126 4.913 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.568 7.142 4.721 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.644 8.058 3.849 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.429 10.445 3.420 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.470 6.265 2.604 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.032 10.819 1.597 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.070 6.636 0.777 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.855 8.914 0.271 1.00 0.00 H new ATOM 457 N GLY A 41 0.096 9.038 7.717 1.00 0.00 N ATOM 458 CA GLY A 41 -0.624 8.690 8.925 1.00 0.00 C ATOM 459 C GLY A 41 0.022 7.534 9.658 1.00 0.00 C ATOM 460 O GLY A 41 1.116 7.671 10.204 1.00 0.00 O ATOM 0 H GLY A 41 1.008 9.468 7.870 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.668 9.558 9.583 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.652 8.430 8.672 1.00 0.00 H new ATOM 464 N LYS A 42 -0.653 6.390 9.669 1.00 0.00 N ATOM 465 CA LYS A 42 -0.128 5.210 10.341 1.00 0.00 C ATOM 466 C LYS A 42 -0.621 3.930 9.674 1.00 0.00 C ATOM 467 O LYS A 42 -1.680 3.912 9.046 1.00 0.00 O ATOM 468 CB LYS A 42 -0.530 5.217 11.817 1.00 0.00 C ATOM 469 CG LYS A 42 0.613 5.562 12.757 1.00 0.00 C ATOM 470 CD LYS A 42 0.802 4.494 13.821 1.00 0.00 C ATOM 471 CE LYS A 42 1.685 4.987 14.955 1.00 0.00 C ATOM 472 NZ LYS A 42 1.262 4.432 16.270 1.00 0.00 N ATOM 0 H LYS A 42 -1.560 6.256 9.222 1.00 0.00 H new ATOM 0 HA LYS A 42 0.959 5.238 10.265 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.338 5.935 11.962 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.924 4.236 12.082 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.534 5.674 12.185 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.415 6.522 13.235 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.169 4.198 14.217 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.247 3.606 13.372 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.719 4.706 14.758 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.653 6.076 14.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.889 4.792 17.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.283 4.721 16.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.317 3.394 16.243 1.00 0.00 H new ATOM 486 N VAL A 43 0.150 2.858 9.825 1.00 0.00 N ATOM 487 CA VAL A 43 -0.210 1.569 9.251 1.00 0.00 C ATOM 488 C VAL A 43 -0.785 0.653 10.326 1.00 0.00 C ATOM 489 O VAL A 43 -0.104 0.311 11.292 1.00 0.00 O ATOM 490 CB VAL A 43 1.001 0.884 8.593 1.00 0.00 C ATOM 491 CG1 VAL A 43 0.661 -0.545 8.200 1.00 0.00 C ATOM 492 CG2 VAL A 43 1.469 1.682 7.384 1.00 0.00 C ATOM 0 H VAL A 43 1.030 2.858 10.341 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.961 1.753 8.483 1.00 0.00 H new ATOM 0 HB VAL A 43 1.815 0.850 9.317 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.530 -1.012 7.737 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.377 -1.109 9.088 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.168 -0.540 7.493 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.326 1.185 6.929 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.660 1.748 6.656 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.757 2.685 7.699 1.00 0.00 H new ATOM 502 N THR A 44 -2.048 0.278 10.161 1.00 0.00 N ATOM 503 CA THR A 44 -2.720 -0.579 11.131 1.00 0.00 C ATOM 504 C THR A 44 -2.731 -2.034 10.676 1.00 0.00 C ATOM 505 O THR A 44 -3.398 -2.877 11.276 1.00 0.00 O ATOM 506 CB THR A 44 -4.167 -0.113 11.382 1.00 0.00 C ATOM 507 OG1 THR A 44 -5.088 -0.926 10.645 1.00 0.00 O ATOM 508 CG2 THR A 44 -4.324 1.334 10.983 1.00 0.00 C ATOM 0 H THR A 44 -2.626 0.553 9.367 1.00 0.00 H new ATOM 0 HA THR A 44 -2.156 -0.504 12.061 1.00 0.00 H new ATOM 0 HB THR A 44 -4.384 -0.213 12.445 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.852 -0.381 10.363 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.351 1.652 11.165 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.644 1.950 11.571 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.091 1.447 9.924 1.00 0.00 H new ATOM 516 N ASN A 45 -1.987 -2.323 9.613 1.00 0.00 N ATOM 517 CA ASN A 45 -1.911 -3.678 9.078 1.00 0.00 C ATOM 518 C ASN A 45 -1.079 -3.714 7.799 1.00 0.00 C ATOM 519 O ASN A 45 -1.116 -2.782 6.996 1.00 0.00 O ATOM 520 CB ASN A 45 -3.315 -4.218 8.800 1.00 0.00 C ATOM 521 CG ASN A 45 -3.415 -5.713 9.028 1.00 0.00 C ATOM 522 OD1 ASN A 45 -2.415 -6.430 8.973 1.00 0.00 O ATOM 523 ND2 ASN A 45 -4.626 -6.193 9.287 1.00 0.00 N ATOM 0 H ASN A 45 -1.428 -1.637 9.105 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.426 -4.308 9.823 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.032 -3.707 9.442 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.591 -3.991 7.770 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.755 -7.192 9.450 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.427 -5.563 9.323 1.00 0.00 H new ATOM 530 N LEU A 46 -0.332 -4.797 7.616 1.00 0.00 N ATOM 531 CA LEU A 46 0.508 -4.957 6.434 1.00 0.00 C ATOM 532 C LEU A 46 0.697 -6.432 6.096 1.00 0.00 C ATOM 533 O LEU A 46 1.107 -7.225 6.944 1.00 0.00 O ATOM 534 CB LEU A 46 1.869 -4.294 6.653 1.00 0.00 C ATOM 535 CG LEU A 46 2.895 -4.541 5.543 1.00 0.00 C ATOM 536 CD1 LEU A 46 2.231 -4.471 4.178 1.00 0.00 C ATOM 537 CD2 LEU A 46 4.032 -3.536 5.638 1.00 0.00 C ATOM 0 H LEU A 46 -0.291 -5.578 8.271 1.00 0.00 H new ATOM 0 HA LEU A 46 0.007 -4.472 5.597 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.720 -3.219 6.757 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.283 -4.651 7.596 1.00 0.00 H new ATOM 0 HG LEU A 46 3.309 -5.541 5.671 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.975 -4.649 3.402 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.451 -5.230 4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.790 -3.484 4.038 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.752 -3.725 4.842 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.635 -2.526 5.535 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.525 -3.635 6.605 1.00 0.00 H new ATOM 549 N LEU A 47 0.398 -6.792 4.853 1.00 0.00 N ATOM 550 CA LEU A 47 0.536 -8.173 4.404 1.00 0.00 C ATOM 551 C LEU A 47 1.075 -8.232 2.978 1.00 0.00 C ATOM 552 O LEU A 47 0.366 -7.917 2.022 1.00 0.00 O ATOM 553 CB LEU A 47 -0.811 -8.895 4.482 1.00 0.00 C ATOM 554 CG LEU A 47 -0.771 -10.380 4.120 1.00 0.00 C ATOM 555 CD1 LEU A 47 -0.723 -10.561 2.611 1.00 0.00 C ATOM 556 CD2 LEU A 47 0.422 -11.056 4.778 1.00 0.00 C ATOM 0 H LEU A 47 0.059 -6.148 4.139 1.00 0.00 H new ATOM 0 HA LEU A 47 1.247 -8.672 5.063 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.202 -8.794 5.494 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.514 -8.393 3.817 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.681 -10.850 4.492 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.695 -11.624 2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.609 -10.112 2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.169 -10.077 2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.435 -12.112 4.510 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.343 -10.583 4.436 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.344 -10.958 5.861 1.00 0.00 H new ATOM 568 N MET A 48 2.333 -8.639 2.843 1.00 0.00 N ATOM 569 CA MET A 48 2.967 -8.741 1.534 1.00 0.00 C ATOM 570 C MET A 48 2.677 -10.096 0.896 1.00 0.00 C ATOM 571 O MET A 48 3.042 -11.139 1.440 1.00 0.00 O ATOM 572 CB MET A 48 4.479 -8.534 1.657 1.00 0.00 C ATOM 573 CG MET A 48 4.873 -7.521 2.721 1.00 0.00 C ATOM 574 SD MET A 48 5.413 -5.951 2.018 1.00 0.00 S ATOM 575 CE MET A 48 7.006 -6.412 1.343 1.00 0.00 C ATOM 0 H MET A 48 2.933 -8.903 3.624 1.00 0.00 H new ATOM 0 HA MET A 48 2.553 -7.961 0.895 1.00 0.00 H new ATOM 0 HB2 MET A 48 4.950 -9.490 1.886 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.872 -8.208 0.694 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.025 -7.346 3.382 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.674 -7.935 3.333 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.795 -5.891 1.885 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.146 -7.488 1.444 1.00 0.00 H new ATOM 0 HE3 MET A 48 7.048 -6.138 0.289 1.00 0.00 H new ATOM 585 N LEU A 49 2.017 -10.075 -0.257 1.00 0.00 N ATOM 586 CA LEU A 49 1.677 -11.304 -0.966 1.00 0.00 C ATOM 587 C LEU A 49 2.626 -11.543 -2.136 1.00 0.00 C ATOM 588 O LEU A 49 2.474 -10.949 -3.202 1.00 0.00 O ATOM 589 CB LEU A 49 0.235 -11.243 -1.472 1.00 0.00 C ATOM 590 CG LEU A 49 -0.102 -12.235 -2.587 1.00 0.00 C ATOM 591 CD1 LEU A 49 -0.079 -13.661 -2.058 1.00 0.00 C ATOM 592 CD2 LEU A 49 -1.459 -11.912 -3.195 1.00 0.00 C ATOM 0 H LEU A 49 1.707 -9.221 -0.721 1.00 0.00 H new ATOM 0 HA LEU A 49 1.777 -12.134 -0.266 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.437 -11.422 -0.632 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.034 -10.234 -1.831 1.00 0.00 H new ATOM 0 HG LEU A 49 0.654 -12.146 -3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.321 -14.352 -2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.914 -13.889 -1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.813 -13.765 -1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.683 -12.627 -3.986 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.227 -11.972 -2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.441 -10.905 -3.611 1.00 0.00 H new ATOM 604 N LYS A 50 3.603 -12.421 -1.929 1.00 0.00 N ATOM 605 CA LYS A 50 4.575 -12.740 -2.968 1.00 0.00 C ATOM 606 C LYS A 50 3.875 -13.167 -4.254 1.00 0.00 C ATOM 607 O LYS A 50 4.468 -13.144 -5.332 1.00 0.00 O ATOM 608 CB LYS A 50 5.515 -13.850 -2.493 1.00 0.00 C ATOM 609 CG LYS A 50 6.197 -13.544 -1.169 1.00 0.00 C ATOM 610 CD LYS A 50 7.476 -12.748 -1.373 1.00 0.00 C ATOM 611 CE LYS A 50 7.796 -11.887 -0.162 1.00 0.00 C ATOM 612 NZ LYS A 50 7.060 -12.339 1.051 1.00 0.00 N ATOM 0 H LYS A 50 3.742 -12.923 -1.052 1.00 0.00 H new ATOM 0 HA LYS A 50 5.158 -11.842 -3.173 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.949 -14.777 -2.395 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.277 -14.020 -3.254 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.516 -12.983 -0.529 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.426 -14.476 -0.652 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.304 -13.431 -1.564 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.375 -12.115 -2.254 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.868 -11.917 0.032 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.540 -10.849 -0.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.494 -11.919 1.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.066 -12.039 0.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.104 -13.376 1.118 1.00 0.00 H new ATOM 626 N GLY A 51 2.610 -13.558 -4.131 1.00 0.00 N ATOM 627 CA GLY A 51 1.850 -13.987 -5.290 1.00 0.00 C ATOM 628 C GLY A 51 2.163 -13.172 -6.529 1.00 0.00 C ATOM 629 O GLY A 51 3.140 -13.442 -7.228 1.00 0.00 O ATOM 0 H GLY A 51 2.098 -13.585 -3.249 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.060 -15.038 -5.489 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.785 -13.911 -5.070 1.00 0.00 H new ATOM 633 N LYS A 52 1.331 -12.172 -6.805 1.00 0.00 N ATOM 634 CA LYS A 52 1.524 -11.317 -7.971 1.00 0.00 C ATOM 635 C LYS A 52 2.163 -9.989 -7.575 1.00 0.00 C ATOM 636 O LYS A 52 1.700 -8.922 -7.978 1.00 0.00 O ATOM 637 CB LYS A 52 0.188 -11.065 -8.671 1.00 0.00 C ATOM 638 CG LYS A 52 -0.019 -11.920 -9.911 1.00 0.00 C ATOM 639 CD LYS A 52 0.906 -11.500 -11.041 1.00 0.00 C ATOM 640 CE LYS A 52 1.922 -12.583 -11.363 1.00 0.00 C ATOM 641 NZ LYS A 52 1.648 -13.230 -12.677 1.00 0.00 N ATOM 0 H LYS A 52 0.517 -11.934 -6.237 1.00 0.00 H new ATOM 0 HA LYS A 52 2.196 -11.831 -8.659 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.623 -11.256 -7.968 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.126 -10.013 -8.950 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.158 -12.967 -9.665 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.055 -11.840 -10.240 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.317 -11.277 -11.930 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.426 -10.583 -10.765 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.922 -12.151 -11.373 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.909 -13.338 -10.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.363 -13.963 -12.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.704 -13.665 -12.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.686 -12.514 -13.431 1.00 0.00 H new ATOM 655 N ASN A 53 3.229 -10.064 -6.786 1.00 0.00 N ATOM 656 CA ASN A 53 3.934 -8.869 -6.336 1.00 0.00 C ATOM 657 C ASN A 53 2.955 -7.754 -5.986 1.00 0.00 C ATOM 658 O ASN A 53 2.825 -6.774 -6.720 1.00 0.00 O ATOM 659 CB ASN A 53 4.908 -8.390 -7.414 1.00 0.00 C ATOM 660 CG ASN A 53 6.021 -9.387 -7.670 1.00 0.00 C ATOM 661 OD1 ASN A 53 6.612 -9.907 -6.599 1.00 0.00 O flip ATOM 662 ND2 ASN A 53 6.346 -9.689 -8.818 1.00 0.00 N flip ATOM 0 H ASN A 53 3.624 -10.940 -6.445 1.00 0.00 H new ATOM 0 HA ASN A 53 4.494 -9.127 -5.438 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.362 -8.213 -8.341 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.340 -7.436 -7.112 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.866 -9.266 -9.612 1.00 0.00 H new ATOM 0 HD22 ASN A 53 7.096 -10.363 -8.975 1.00 0.00 H new ATOM 669 N GLN A 54 2.272 -7.909 -4.858 1.00 0.00 N ATOM 670 CA GLN A 54 1.306 -6.915 -4.405 1.00 0.00 C ATOM 671 C GLN A 54 1.205 -6.918 -2.883 1.00 0.00 C ATOM 672 O GLN A 54 1.095 -7.974 -2.261 1.00 0.00 O ATOM 673 CB GLN A 54 -0.067 -7.190 -5.020 1.00 0.00 C ATOM 674 CG GLN A 54 0.000 -7.777 -6.420 1.00 0.00 C ATOM 675 CD GLN A 54 -1.317 -7.661 -7.164 1.00 0.00 C ATOM 676 OE1 GLN A 54 -2.280 -8.363 -6.857 1.00 0.00 O ATOM 677 NE2 GLN A 54 -1.362 -6.772 -8.149 1.00 0.00 N ATOM 0 H GLN A 54 2.369 -8.714 -4.240 1.00 0.00 H new ATOM 0 HA GLN A 54 1.649 -5.933 -4.729 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.615 -7.876 -4.373 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.634 -6.260 -5.052 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.779 -7.268 -6.987 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.286 -8.827 -6.357 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.538 -6.212 -8.368 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -2.220 -6.649 -8.687 1.00 0.00 H new ATOM 686 N ALA A 55 1.240 -5.730 -2.289 1.00 0.00 N ATOM 687 CA ALA A 55 1.149 -5.600 -0.840 1.00 0.00 C ATOM 688 C ALA A 55 -0.187 -4.992 -0.436 1.00 0.00 C ATOM 689 O ALA A 55 -0.909 -4.445 -1.269 1.00 0.00 O ATOM 690 CB ALA A 55 2.298 -4.758 -0.309 1.00 0.00 C ATOM 0 H ALA A 55 1.331 -4.845 -2.788 1.00 0.00 H new ATOM 0 HA ALA A 55 1.217 -6.596 -0.403 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.215 -4.671 0.774 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.245 -5.233 -0.563 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.259 -3.765 -0.757 1.00 0.00 H new ATOM 696 N PHE A 56 -0.519 -5.097 0.847 1.00 0.00 N ATOM 697 CA PHE A 56 -1.777 -4.562 1.348 1.00 0.00 C ATOM 698 C PHE A 56 -1.615 -3.987 2.752 1.00 0.00 C ATOM 699 O PHE A 56 -1.325 -4.713 3.703 1.00 0.00 O ATOM 700 CB PHE A 56 -2.845 -5.657 1.355 1.00 0.00 C ATOM 701 CG PHE A 56 -2.861 -6.486 0.102 1.00 0.00 C ATOM 702 CD1 PHE A 56 -1.783 -7.295 -0.226 1.00 0.00 C ATOM 703 CD2 PHE A 56 -3.955 -6.457 -0.747 1.00 0.00 C ATOM 704 CE1 PHE A 56 -1.799 -8.058 -1.378 1.00 0.00 C ATOM 705 CE2 PHE A 56 -3.975 -7.218 -1.900 1.00 0.00 C ATOM 706 CZ PHE A 56 -2.895 -8.019 -2.217 1.00 0.00 C ATOM 0 H PHE A 56 0.063 -5.546 1.554 1.00 0.00 H new ATOM 0 HA PHE A 56 -2.088 -3.755 0.685 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.679 -6.310 2.211 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.824 -5.198 1.490 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.922 -7.329 0.426 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.802 -5.832 -0.505 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.954 -8.685 -1.622 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.835 -7.187 -2.553 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.908 -8.613 -3.119 1.00 0.00 H new ATOM 716 N ILE A 57 -1.818 -2.679 2.875 1.00 0.00 N ATOM 717 CA ILE A 57 -1.708 -2.006 4.163 1.00 0.00 C ATOM 718 C ILE A 57 -3.030 -1.353 4.543 1.00 0.00 C ATOM 719 O ILE A 57 -3.715 -0.777 3.698 1.00 0.00 O ATOM 720 CB ILE A 57 -0.598 -0.938 4.158 1.00 0.00 C ATOM 721 CG1 ILE A 57 -0.975 0.229 3.243 1.00 0.00 C ATOM 722 CG2 ILE A 57 0.724 -1.552 3.725 1.00 0.00 C ATOM 723 CD1 ILE A 57 -0.228 1.508 3.556 1.00 0.00 C ATOM 0 H ILE A 57 -2.060 -2.064 2.098 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.451 -2.768 4.899 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.486 -0.553 5.171 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.779 -0.053 2.208 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.046 0.414 3.326 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.499 -0.785 3.726 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.000 -2.348 4.417 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.622 -1.964 2.721 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.545 2.292 2.869 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.443 1.814 4.580 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.843 1.340 3.445 1.00 0.00 H new ATOM 735 N GLU A 58 -3.390 -1.455 5.816 1.00 0.00 N ATOM 736 CA GLU A 58 -4.639 -0.881 6.302 1.00 0.00 C ATOM 737 C GLU A 58 -4.383 0.350 7.164 1.00 0.00 C ATOM 738 O GLU A 58 -3.984 0.236 8.324 1.00 0.00 O ATOM 739 CB GLU A 58 -5.425 -1.920 7.102 1.00 0.00 C ATOM 740 CG GLU A 58 -6.927 -1.853 6.874 1.00 0.00 C ATOM 741 CD GLU A 58 -7.677 -1.326 8.081 1.00 0.00 C ATOM 742 OE1 GLU A 58 -7.345 -1.737 9.212 1.00 0.00 O ATOM 743 OE2 GLU A 58 -8.597 -0.502 7.894 1.00 0.00 O ATOM 0 H GLU A 58 -2.836 -1.929 6.530 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.225 -0.576 5.435 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.070 -2.916 6.837 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.220 -1.780 8.163 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.132 -1.213 6.016 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.298 -2.848 6.626 1.00 0.00 H new ATOM 750 N MET A 59 -4.623 1.526 6.594 1.00 0.00 N ATOM 751 CA MET A 59 -4.428 2.777 7.316 1.00 0.00 C ATOM 752 C MET A 59 -5.483 2.927 8.406 1.00 0.00 C ATOM 753 O MET A 59 -6.616 2.473 8.252 1.00 0.00 O ATOM 754 CB MET A 59 -4.481 3.960 6.350 1.00 0.00 C ATOM 755 CG MET A 59 -3.714 3.716 5.059 1.00 0.00 C ATOM 756 SD MET A 59 -2.646 5.097 4.606 1.00 0.00 S ATOM 757 CE MET A 59 -1.471 5.089 5.957 1.00 0.00 C ATOM 0 H MET A 59 -4.952 1.639 5.635 1.00 0.00 H new ATOM 0 HA MET A 59 -3.445 2.761 7.787 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.522 4.179 6.111 1.00 0.00 H new ATOM 0 HB3 MET A 59 -4.075 4.843 6.844 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.109 2.815 5.166 1.00 0.00 H new ATOM 0 HG3 MET A 59 -4.422 3.530 4.251 1.00 0.00 H new ATOM 0 HE1 MET A 59 -0.779 5.923 5.842 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.004 5.187 6.903 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.914 4.152 5.950 1.00 0.00 H new ATOM 767 N ASN A 60 -5.099 3.545 9.518 1.00 0.00 N ATOM 768 CA ASN A 60 -6.011 3.729 10.642 1.00 0.00 C ATOM 769 C ASN A 60 -7.156 4.667 10.279 1.00 0.00 C ATOM 770 O ASN A 60 -8.318 4.382 10.566 1.00 0.00 O ATOM 771 CB ASN A 60 -5.268 4.291 11.859 1.00 0.00 C ATOM 772 CG ASN A 60 -3.801 3.916 11.899 1.00 0.00 C ATOM 773 OD1 ASN A 60 -3.129 3.864 10.868 1.00 0.00 O ATOM 774 ND2 ASN A 60 -3.290 3.671 13.097 1.00 0.00 N ATOM 0 H ASN A 60 -4.165 3.926 9.665 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.421 2.749 10.887 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.357 5.377 11.859 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.751 3.932 12.767 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.304 3.428 13.191 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.883 3.725 13.925 1.00 0.00 H new ATOM 781 N THR A 61 -6.819 5.794 9.663 1.00 0.00 N ATOM 782 CA THR A 61 -7.821 6.778 9.281 1.00 0.00 C ATOM 783 C THR A 61 -7.929 6.903 7.768 1.00 0.00 C ATOM 784 O THR A 61 -7.094 6.382 7.029 1.00 0.00 O ATOM 785 CB THR A 61 -7.490 8.160 9.875 1.00 0.00 C ATOM 786 OG1 THR A 61 -7.885 9.193 8.965 1.00 0.00 O ATOM 787 CG2 THR A 61 -6.002 8.274 10.167 1.00 0.00 C ATOM 0 H THR A 61 -5.862 6.047 9.418 1.00 0.00 H new ATOM 0 HA THR A 61 -8.775 6.430 9.677 1.00 0.00 H new ATOM 0 HB THR A 61 -8.040 8.274 10.809 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.672 10.068 9.351 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.788 9.257 10.586 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.711 7.504 10.881 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.439 8.143 9.243 1.00 0.00 H new ATOM 795 N GLU A 62 -8.964 7.600 7.313 1.00 0.00 N ATOM 796 CA GLU A 62 -9.182 7.797 5.888 1.00 0.00 C ATOM 797 C GLU A 62 -8.157 8.769 5.316 1.00 0.00 C ATOM 798 O GLU A 62 -7.550 8.507 4.278 1.00 0.00 O ATOM 799 CB GLU A 62 -10.598 8.316 5.631 1.00 0.00 C ATOM 800 CG GLU A 62 -11.681 7.287 5.907 1.00 0.00 C ATOM 801 CD GLU A 62 -11.959 7.117 7.389 1.00 0.00 C ATOM 802 OE1 GLU A 62 -12.471 8.072 8.010 1.00 0.00 O ATOM 803 OE2 GLU A 62 -11.663 6.030 7.927 1.00 0.00 O ATOM 0 H GLU A 62 -9.664 8.037 7.912 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.064 6.835 5.389 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.774 9.193 6.255 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.674 8.642 4.594 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.599 7.586 5.401 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.382 6.328 5.485 1.00 0.00 H new ATOM 810 N GLU A 63 -7.964 9.890 6.004 1.00 0.00 N ATOM 811 CA GLU A 63 -7.006 10.894 5.564 1.00 0.00 C ATOM 812 C GLU A 63 -5.656 10.249 5.273 1.00 0.00 C ATOM 813 O GLU A 63 -4.879 10.748 4.459 1.00 0.00 O ATOM 814 CB GLU A 63 -6.848 11.982 6.628 1.00 0.00 C ATOM 815 CG GLU A 63 -7.266 13.363 6.151 1.00 0.00 C ATOM 816 CD GLU A 63 -7.164 14.411 7.241 1.00 0.00 C ATOM 817 OE1 GLU A 63 -6.028 14.792 7.593 1.00 0.00 O ATOM 818 OE2 GLU A 63 -8.220 14.851 7.744 1.00 0.00 O ATOM 0 H GLU A 63 -8.457 10.124 6.866 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.382 11.350 4.648 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.442 11.713 7.502 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.807 12.017 6.948 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.640 13.658 5.309 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.292 13.322 5.786 1.00 0.00 H new ATOM 825 N ALA A 64 -5.389 9.133 5.944 1.00 0.00 N ATOM 826 CA ALA A 64 -4.137 8.411 5.756 1.00 0.00 C ATOM 827 C ALA A 64 -4.136 7.663 4.427 1.00 0.00 C ATOM 828 O ALA A 64 -3.214 7.804 3.625 1.00 0.00 O ATOM 829 CB ALA A 64 -3.903 7.447 6.914 1.00 0.00 C ATOM 0 H ALA A 64 -6.023 8.710 6.622 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.323 9.135 5.736 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.964 6.915 6.760 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.854 8.006 7.849 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.723 6.730 6.962 1.00 0.00 H new ATOM 835 N ALA A 65 -5.178 6.868 4.202 1.00 0.00 N ATOM 836 CA ALA A 65 -5.302 6.097 2.970 1.00 0.00 C ATOM 837 C ALA A 65 -5.182 6.995 1.743 1.00 0.00 C ATOM 838 O ALA A 65 -4.310 6.794 0.896 1.00 0.00 O ATOM 839 CB ALA A 65 -6.627 5.348 2.950 1.00 0.00 C ATOM 0 H ALA A 65 -5.949 6.741 4.858 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.486 5.375 2.939 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.708 4.776 2.026 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.674 4.669 3.802 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.449 6.061 3.008 1.00 0.00 H new ATOM 845 N ASN A 66 -6.065 7.983 1.652 1.00 0.00 N ATOM 846 CA ASN A 66 -6.061 8.912 0.528 1.00 0.00 C ATOM 847 C ASN A 66 -4.650 9.413 0.235 1.00 0.00 C ATOM 848 O ASN A 66 -4.093 9.141 -0.828 1.00 0.00 O ATOM 849 CB ASN A 66 -6.984 10.096 0.815 1.00 0.00 C ATOM 850 CG ASN A 66 -8.236 10.075 -0.039 1.00 0.00 C ATOM 851 OD1 ASN A 66 -8.167 9.920 -1.259 1.00 0.00 O ATOM 852 ND2 ASN A 66 -9.390 10.232 0.598 1.00 0.00 N ATOM 0 H ASN A 66 -6.793 8.161 2.344 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.425 8.378 -0.350 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.266 10.086 1.868 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -6.443 11.026 0.639 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.266 10.227 0.075 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.401 10.357 1.610 1.00 0.00 H new ATOM 859 N THR A 67 -4.076 10.146 1.184 1.00 0.00 N ATOM 860 CA THR A 67 -2.731 10.685 1.022 1.00 0.00 C ATOM 861 C THR A 67 -1.806 9.665 0.367 1.00 0.00 C ATOM 862 O THR A 67 -1.188 9.942 -0.660 1.00 0.00 O ATOM 863 CB THR A 67 -2.129 11.110 2.374 1.00 0.00 C ATOM 864 OG1 THR A 67 -2.803 12.274 2.867 1.00 0.00 O ATOM 865 CG2 THR A 67 -0.641 11.402 2.236 1.00 0.00 C ATOM 0 H THR A 67 -4.521 10.380 2.072 1.00 0.00 H new ATOM 0 HA THR A 67 -2.817 11.561 0.379 1.00 0.00 H new ATOM 0 HB THR A 67 -2.260 10.289 3.078 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.553 12.001 3.436 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.237 11.700 3.204 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.125 10.507 1.888 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.494 12.208 1.517 1.00 0.00 H new ATOM 873 N MET A 68 -1.716 8.485 0.969 1.00 0.00 N ATOM 874 CA MET A 68 -0.865 7.423 0.444 1.00 0.00 C ATOM 875 C MET A 68 -0.865 7.425 -1.081 1.00 0.00 C ATOM 876 O MET A 68 0.168 7.653 -1.711 1.00 0.00 O ATOM 877 CB MET A 68 -1.333 6.064 0.967 1.00 0.00 C ATOM 878 CG MET A 68 -0.592 4.886 0.359 1.00 0.00 C ATOM 879 SD MET A 68 1.128 5.266 -0.029 1.00 0.00 S ATOM 880 CE MET A 68 1.983 4.253 1.175 1.00 0.00 C ATOM 0 H MET A 68 -2.221 8.239 1.820 1.00 0.00 H new ATOM 0 HA MET A 68 0.154 7.605 0.786 1.00 0.00 H new ATOM 0 HB2 MET A 68 -1.210 6.040 2.050 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.399 5.955 0.765 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.626 4.045 1.051 1.00 0.00 H new ATOM 0 HG3 MET A 68 -1.104 4.571 -0.550 1.00 0.00 H new ATOM 0 HE1 MET A 68 2.986 4.649 1.337 1.00 0.00 H new ATOM 0 HE2 MET A 68 1.433 4.263 2.116 1.00 0.00 H new ATOM 0 HE3 MET A 68 2.052 3.230 0.806 1.00 0.00 H new ATOM 890 N VAL A 69 -2.028 7.169 -1.669 1.00 0.00 N ATOM 891 CA VAL A 69 -2.159 7.139 -3.121 1.00 0.00 C ATOM 892 C VAL A 69 -2.352 8.542 -3.688 1.00 0.00 C ATOM 893 O VAL A 69 -1.566 9.000 -4.519 1.00 0.00 O ATOM 894 CB VAL A 69 -3.344 6.258 -3.557 1.00 0.00 C ATOM 895 CG1 VAL A 69 -3.469 6.243 -5.072 1.00 0.00 C ATOM 896 CG2 VAL A 69 -3.189 4.846 -3.012 1.00 0.00 C ATOM 0 H VAL A 69 -2.893 6.979 -1.163 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.233 6.717 -3.512 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.260 6.682 -3.145 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.312 5.615 -5.361 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.632 7.258 -5.434 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.553 5.845 -5.509 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.036 4.238 -3.330 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.265 4.409 -3.391 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.155 4.878 -1.923 1.00 0.00 H new ATOM 906 N ASN A 70 -3.403 9.216 -3.237 1.00 0.00 N ATOM 907 CA ASN A 70 -3.705 10.567 -3.701 1.00 0.00 C ATOM 908 C ASN A 70 -2.429 11.376 -3.907 1.00 0.00 C ATOM 909 O ASN A 70 -2.335 12.180 -4.834 1.00 0.00 O ATOM 910 CB ASN A 70 -4.617 11.280 -2.702 1.00 0.00 C ATOM 911 CG ASN A 70 -4.902 12.715 -3.099 1.00 0.00 C ATOM 912 OD1 ASN A 70 -4.477 13.653 -2.427 1.00 0.00 O ATOM 913 ND2 ASN A 70 -5.625 12.891 -4.200 1.00 0.00 N ATOM 0 H ASN A 70 -4.062 8.850 -2.550 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.218 10.485 -4.659 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.558 10.735 -2.620 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.153 11.264 -1.716 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.848 13.834 -4.518 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.957 12.083 -4.727 1.00 0.00 H new ATOM 920 N TYR A 71 -1.447 11.162 -3.035 1.00 0.00 N ATOM 921 CA TYR A 71 -0.180 11.878 -3.125 1.00 0.00 C ATOM 922 C TYR A 71 0.707 11.284 -4.214 1.00 0.00 C ATOM 923 O TYR A 71 1.190 11.998 -5.092 1.00 0.00 O ATOM 924 CB TYR A 71 0.551 11.839 -1.782 1.00 0.00 C ATOM 925 CG TYR A 71 1.980 12.326 -1.857 1.00 0.00 C ATOM 926 CD1 TYR A 71 2.371 13.246 -2.823 1.00 0.00 C ATOM 927 CD2 TYR A 71 2.939 11.864 -0.965 1.00 0.00 C ATOM 928 CE1 TYR A 71 3.677 13.692 -2.896 1.00 0.00 C ATOM 929 CE2 TYR A 71 4.247 12.306 -1.030 1.00 0.00 C ATOM 930 CZ TYR A 71 4.611 13.219 -1.998 1.00 0.00 C ATOM 931 OH TYR A 71 5.913 13.660 -2.067 1.00 0.00 O ATOM 0 H TYR A 71 -1.505 10.500 -2.261 1.00 0.00 H new ATOM 0 HA TYR A 71 -0.398 12.914 -3.383 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.005 12.450 -1.063 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.544 10.817 -1.403 1.00 0.00 H new ATOM 0 HD1 TYR A 71 1.642 13.618 -3.528 1.00 0.00 H new ATOM 0 HD2 TYR A 71 2.658 11.147 -0.208 1.00 0.00 H new ATOM 0 HE1 TYR A 71 3.965 14.407 -3.652 1.00 0.00 H new ATOM 0 HE2 TYR A 71 4.980 11.939 -0.327 1.00 0.00 H new ATOM 0 HH TYR A 71 6.442 13.230 -1.362 1.00 0.00 H new ATOM 941 N TYR A 72 0.920 9.973 -4.151 1.00 0.00 N ATOM 942 CA TYR A 72 1.753 9.288 -5.133 1.00 0.00 C ATOM 943 C TYR A 72 1.115 9.330 -6.517 1.00 0.00 C ATOM 944 O TYR A 72 1.740 8.958 -7.510 1.00 0.00 O ATOM 945 CB TYR A 72 1.994 7.837 -4.709 1.00 0.00 C ATOM 946 CG TYR A 72 2.929 7.695 -3.529 1.00 0.00 C ATOM 947 CD1 TYR A 72 3.986 8.580 -3.342 1.00 0.00 C ATOM 948 CD2 TYR A 72 2.756 6.677 -2.602 1.00 0.00 C ATOM 949 CE1 TYR A 72 4.841 8.453 -2.265 1.00 0.00 C ATOM 950 CE2 TYR A 72 3.608 6.543 -1.522 1.00 0.00 C ATOM 951 CZ TYR A 72 4.647 7.434 -1.358 1.00 0.00 C ATOM 952 OH TYR A 72 5.497 7.304 -0.284 1.00 0.00 O ATOM 0 H TYR A 72 0.528 9.365 -3.432 1.00 0.00 H new ATOM 0 HA TYR A 72 2.710 9.807 -5.182 1.00 0.00 H new ATOM 0 HB2 TYR A 72 1.038 7.377 -4.461 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.404 7.284 -5.554 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.141 9.380 -4.051 1.00 0.00 H new ATOM 0 HD2 TYR A 72 1.942 5.978 -2.726 1.00 0.00 H new ATOM 0 HE1 TYR A 72 5.657 9.148 -2.134 1.00 0.00 H new ATOM 0 HE2 TYR A 72 3.460 5.744 -0.810 1.00 0.00 H new ATOM 0 HH TYR A 72 4.999 7.454 0.547 1.00 0.00 H new ATOM 962 N THR A 73 -0.131 9.789 -6.580 1.00 0.00 N ATOM 963 CA THR A 73 -0.845 9.882 -7.846 1.00 0.00 C ATOM 964 C THR A 73 0.092 10.323 -8.966 1.00 0.00 C ATOM 965 O THR A 73 -0.022 9.866 -10.103 1.00 0.00 O ATOM 966 CB THR A 73 -2.023 10.870 -7.759 1.00 0.00 C ATOM 967 OG1 THR A 73 -3.038 10.348 -6.892 1.00 0.00 O ATOM 968 CG2 THR A 73 -2.614 11.133 -9.136 1.00 0.00 C ATOM 0 H THR A 73 -0.666 10.102 -5.770 1.00 0.00 H new ATOM 0 HA THR A 73 -1.234 8.888 -8.066 1.00 0.00 H new ATOM 0 HB THR A 73 -1.648 11.811 -7.356 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.617 9.881 -6.140 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.444 11.834 -9.048 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.848 11.557 -9.786 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.973 10.197 -9.563 1.00 0.00 H new ATOM 976 N SER A 74 1.021 11.214 -8.632 1.00 0.00 N ATOM 977 CA SER A 74 1.983 11.719 -9.604 1.00 0.00 C ATOM 978 C SER A 74 3.384 11.197 -9.299 1.00 0.00 C ATOM 979 O SER A 74 4.020 10.567 -10.144 1.00 0.00 O ATOM 980 CB SER A 74 1.984 13.249 -9.605 1.00 0.00 C ATOM 981 OG SER A 74 3.048 13.758 -10.389 1.00 0.00 O ATOM 0 H SER A 74 1.127 11.601 -7.694 1.00 0.00 H new ATOM 0 HA SER A 74 1.688 11.364 -10.591 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.034 13.616 -9.994 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.073 13.616 -8.583 1.00 0.00 H new ATOM 0 HG SER A 74 3.025 14.738 -10.375 1.00 0.00 H new ATOM 987 N VAL A 75 3.856 11.461 -8.085 1.00 0.00 N ATOM 988 CA VAL A 75 5.179 11.015 -7.664 1.00 0.00 C ATOM 989 C VAL A 75 5.154 9.543 -7.266 1.00 0.00 C ATOM 990 O VAL A 75 4.418 9.148 -6.362 1.00 0.00 O ATOM 991 CB VAL A 75 5.700 11.847 -6.477 1.00 0.00 C ATOM 992 CG1 VAL A 75 7.085 11.377 -6.061 1.00 0.00 C ATOM 993 CG2 VAL A 75 5.714 13.327 -6.828 1.00 0.00 C ATOM 0 H VAL A 75 3.341 11.982 -7.375 1.00 0.00 H new ATOM 0 HA VAL A 75 5.848 11.151 -8.513 1.00 0.00 H new ATOM 0 HB VAL A 75 5.025 11.704 -5.633 1.00 0.00 H new ATOM 0 HG11 VAL A 75 7.436 11.977 -5.221 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.040 10.329 -5.765 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.774 11.488 -6.899 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.085 13.899 -5.978 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.364 13.491 -7.687 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.703 13.653 -7.071 1.00 0.00 H new ATOM 1003 N THR A 76 5.959 8.733 -7.946 1.00 0.00 N ATOM 1004 CA THR A 76 6.022 7.309 -7.663 1.00 0.00 C ATOM 1005 C THR A 76 7.151 6.988 -6.688 1.00 0.00 C ATOM 1006 O THR A 76 8.232 7.571 -6.761 1.00 0.00 O ATOM 1007 CB THR A 76 6.214 6.497 -8.961 1.00 0.00 C ATOM 1008 OG1 THR A 76 4.951 6.298 -9.606 1.00 0.00 O ATOM 1009 CG2 THR A 76 6.859 5.150 -8.675 1.00 0.00 C ATOM 0 H THR A 76 6.576 9.042 -8.697 1.00 0.00 H new ATOM 0 HA THR A 76 5.074 7.028 -7.205 1.00 0.00 H new ATOM 0 HB THR A 76 6.875 7.063 -9.618 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.082 5.783 -10.430 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.982 4.600 -9.608 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.834 5.304 -8.214 1.00 0.00 H new ATOM 0 HG23 THR A 76 6.224 4.579 -7.998 1.00 0.00 H new ATOM 1017 N PRO A 77 6.913 6.045 -5.760 1.00 0.00 N ATOM 1018 CA PRO A 77 7.889 5.632 -4.774 1.00 0.00 C ATOM 1019 C PRO A 77 8.613 4.352 -5.177 1.00 0.00 C ATOM 1020 O PRO A 77 7.995 3.406 -5.665 1.00 0.00 O ATOM 1021 CB PRO A 77 7.010 5.386 -3.547 1.00 0.00 C ATOM 1022 CG PRO A 77 5.649 5.038 -4.089 1.00 0.00 C ATOM 1023 CD PRO A 77 5.669 5.292 -5.577 1.00 0.00 C ATOM 0 HA PRO A 77 8.682 6.365 -4.627 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.408 4.576 -2.936 1.00 0.00 H new ATOM 0 HB3 PRO A 77 6.965 6.271 -2.913 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.410 3.995 -3.882 1.00 0.00 H new ATOM 0 HG3 PRO A 77 4.880 5.642 -3.608 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.671 4.362 -6.146 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.799 5.863 -5.902 1.00 0.00 H new ATOM 1031 N VAL A 78 9.925 4.323 -4.964 1.00 0.00 N ATOM 1032 CA VAL A 78 10.725 3.151 -5.301 1.00 0.00 C ATOM 1033 C VAL A 78 11.473 2.630 -4.076 1.00 0.00 C ATOM 1034 O VAL A 78 11.359 3.188 -2.985 1.00 0.00 O ATOM 1035 CB VAL A 78 11.722 3.455 -6.447 1.00 0.00 C ATOM 1036 CG1 VAL A 78 11.152 4.510 -7.382 1.00 0.00 C ATOM 1037 CG2 VAL A 78 13.079 3.895 -5.909 1.00 0.00 C ATOM 0 H VAL A 78 10.455 5.095 -4.561 1.00 0.00 H new ATOM 0 HA VAL A 78 10.038 2.378 -5.646 1.00 0.00 H new ATOM 0 HB VAL A 78 11.873 2.532 -7.008 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.865 4.712 -8.181 1.00 0.00 H new ATOM 0 HG12 VAL A 78 10.218 4.149 -7.812 1.00 0.00 H new ATOM 0 HG13 VAL A 78 10.964 5.427 -6.824 1.00 0.00 H new ATOM 0 HG21 VAL A 78 13.752 4.099 -6.742 1.00 0.00 H new ATOM 0 HG22 VAL A 78 12.958 4.798 -5.311 1.00 0.00 H new ATOM 0 HG23 VAL A 78 13.499 3.103 -5.289 1.00 0.00 H new ATOM 1047 N LEU A 79 12.236 1.560 -4.264 1.00 0.00 N ATOM 1048 CA LEU A 79 13.000 0.969 -3.172 1.00 0.00 C ATOM 1049 C LEU A 79 14.370 0.510 -3.655 1.00 0.00 C ATOM 1050 O LEU A 79 14.474 -0.347 -4.533 1.00 0.00 O ATOM 1051 CB LEU A 79 12.236 -0.210 -2.569 1.00 0.00 C ATOM 1052 CG LEU A 79 12.167 -0.224 -1.042 1.00 0.00 C ATOM 1053 CD1 LEU A 79 13.534 0.064 -0.443 1.00 0.00 C ATOM 1054 CD2 LEU A 79 11.142 0.787 -0.548 1.00 0.00 C ATOM 0 H LEU A 79 12.342 1.085 -5.160 1.00 0.00 H new ATOM 0 HA LEU A 79 13.142 1.731 -2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.220 -0.204 -2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 79 12.703 -1.136 -2.905 1.00 0.00 H new ATOM 0 HG LEU A 79 11.855 -1.217 -0.719 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.465 0.050 0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 79 14.243 -0.696 -0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 79 13.876 1.045 -0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 79 11.105 0.765 0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.426 1.785 -0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 79 10.160 0.536 -0.950 1.00 0.00 H new ATOM 1066 N ARG A 80 15.420 1.089 -3.082 1.00 0.00 N ATOM 1067 CA ARG A 80 16.782 0.740 -3.464 1.00 0.00 C ATOM 1068 C ARG A 80 16.925 0.727 -4.981 1.00 0.00 C ATOM 1069 O ARG A 80 17.799 0.055 -5.529 1.00 0.00 O ATOM 1070 CB ARG A 80 17.161 -0.627 -2.889 1.00 0.00 C ATOM 1071 CG ARG A 80 17.871 -0.547 -1.548 1.00 0.00 C ATOM 1072 CD ARG A 80 18.490 -1.881 -1.166 1.00 0.00 C ATOM 1073 NE ARG A 80 17.701 -3.010 -1.651 1.00 0.00 N ATOM 1074 CZ ARG A 80 18.156 -4.257 -1.709 1.00 0.00 C ATOM 1075 NH1 ARG A 80 19.389 -4.534 -1.308 1.00 0.00 N ATOM 1076 NH2 ARG A 80 17.378 -5.229 -2.164 1.00 0.00 N ATOM 0 H ARG A 80 15.354 1.800 -2.354 1.00 0.00 H new ATOM 0 HA ARG A 80 17.457 1.493 -3.057 1.00 0.00 H new ATOM 0 HB2 ARG A 80 16.258 -1.228 -2.778 1.00 0.00 H new ATOM 0 HB3 ARG A 80 17.803 -1.146 -3.601 1.00 0.00 H new ATOM 0 HG2 ARG A 80 18.648 0.217 -1.591 1.00 0.00 H new ATOM 0 HG3 ARG A 80 17.163 -0.239 -0.778 1.00 0.00 H new ATOM 0 HD2 ARG A 80 19.499 -1.942 -1.574 1.00 0.00 H new ATOM 0 HD3 ARG A 80 18.580 -1.941 -0.081 1.00 0.00 H new ATOM 0 HE ARG A 80 16.746 -2.831 -1.963 1.00 0.00 H new ATOM 0 HH11 ARG A 80 19.990 -3.789 -0.954 1.00 0.00 H new ATOM 0 HH12 ARG A 80 19.737 -5.492 -1.353 1.00 0.00 H new ATOM 0 HH21 ARG A 80 16.428 -5.020 -2.471 1.00 0.00 H new ATOM 0 HH22 ARG A 80 17.730 -6.186 -2.208 1.00 0.00 H new ATOM 1090 N GLY A 81 16.054 1.473 -5.654 1.00 0.00 N ATOM 1091 CA GLY A 81 16.091 1.537 -7.102 1.00 0.00 C ATOM 1092 C GLY A 81 14.997 0.709 -7.745 1.00 0.00 C ATOM 1093 O GLY A 81 15.045 0.425 -8.942 1.00 0.00 O ATOM 0 H GLY A 81 15.322 2.035 -5.220 1.00 0.00 H new ATOM 0 HA2 GLY A 81 15.992 2.575 -7.420 1.00 0.00 H new ATOM 0 HA3 GLY A 81 17.062 1.188 -7.454 1.00 0.00 H new ATOM 1097 N GLN A 82 14.004 0.323 -6.949 1.00 0.00 N ATOM 1098 CA GLN A 82 12.891 -0.475 -7.450 1.00 0.00 C ATOM 1099 C GLN A 82 11.569 0.254 -7.250 1.00 0.00 C ATOM 1100 O GLN A 82 10.989 0.228 -6.164 1.00 0.00 O ATOM 1101 CB GLN A 82 12.852 -1.835 -6.749 1.00 0.00 C ATOM 1102 CG GLN A 82 12.437 -2.977 -7.662 1.00 0.00 C ATOM 1103 CD GLN A 82 13.543 -3.995 -7.860 1.00 0.00 C ATOM 1104 OE1 GLN A 82 13.386 -5.171 -7.532 1.00 0.00 O ATOM 1105 NE2 GLN A 82 14.671 -3.546 -8.400 1.00 0.00 N ATOM 0 H GLN A 82 13.948 0.550 -5.956 1.00 0.00 H new ATOM 0 HA GLN A 82 13.040 -0.632 -8.518 1.00 0.00 H new ATOM 0 HB2 GLN A 82 13.838 -2.050 -6.336 1.00 0.00 H new ATOM 0 HB3 GLN A 82 12.159 -1.782 -5.909 1.00 0.00 H new ATOM 0 HG2 GLN A 82 11.562 -3.473 -7.242 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.141 -2.574 -8.631 1.00 0.00 H new ATOM 0 HE21 GLN A 82 14.757 -2.563 -8.657 1.00 0.00 H new ATOM 0 HE22 GLN A 82 15.450 -4.185 -8.558 1.00 0.00 H new ATOM 1114 N PRO A 83 11.080 0.923 -8.304 1.00 0.00 N ATOM 1115 CA PRO A 83 9.822 1.676 -8.258 1.00 0.00 C ATOM 1116 C PRO A 83 8.632 0.814 -7.852 1.00 0.00 C ATOM 1117 O PRO A 83 8.396 -0.250 -8.425 1.00 0.00 O ATOM 1118 CB PRO A 83 9.647 2.176 -9.695 1.00 0.00 C ATOM 1119 CG PRO A 83 11.017 2.153 -10.280 1.00 0.00 C ATOM 1120 CD PRO A 83 11.724 1.001 -9.626 1.00 0.00 C ATOM 0 HA PRO A 83 9.861 2.472 -7.514 1.00 0.00 H new ATOM 0 HB2 PRO A 83 8.967 1.535 -10.256 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.226 3.181 -9.715 1.00 0.00 H new ATOM 0 HG2 PRO A 83 10.978 2.024 -11.362 1.00 0.00 H new ATOM 0 HG3 PRO A 83 11.539 3.091 -10.089 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.598 0.077 -10.191 1.00 0.00 H new ATOM 0 HD3 PRO A 83 12.796 1.180 -9.543 1.00 0.00 H new ATOM 1128 N ILE A 84 7.880 1.289 -6.864 1.00 0.00 N ATOM 1129 CA ILE A 84 6.704 0.575 -6.383 1.00 0.00 C ATOM 1130 C ILE A 84 5.526 1.535 -6.241 1.00 0.00 C ATOM 1131 O ILE A 84 5.520 2.404 -5.370 1.00 0.00 O ATOM 1132 CB ILE A 84 6.979 -0.124 -5.035 1.00 0.00 C ATOM 1133 CG1 ILE A 84 7.264 0.899 -3.933 1.00 0.00 C ATOM 1134 CG2 ILE A 84 8.149 -1.086 -5.176 1.00 0.00 C ATOM 1135 CD1 ILE A 84 7.874 0.286 -2.687 1.00 0.00 C ATOM 0 H ILE A 84 8.065 2.168 -6.380 1.00 0.00 H new ATOM 0 HA ILE A 84 6.458 -0.193 -7.117 1.00 0.00 H new ATOM 0 HB ILE A 84 6.088 -0.685 -4.753 1.00 0.00 H new ATOM 0 HG12 ILE A 84 7.938 1.662 -4.321 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.335 1.401 -3.664 1.00 0.00 H new ATOM 0 HG21 ILE A 84 8.336 -1.575 -4.220 1.00 0.00 H new ATOM 0 HG22 ILE A 84 7.913 -1.839 -5.928 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.038 -0.535 -5.482 1.00 0.00 H new ATOM 0 HD11 ILE A 84 8.050 1.066 -1.947 1.00 0.00 H new ATOM 0 HD12 ILE A 84 7.191 -0.457 -2.275 1.00 0.00 H new ATOM 0 HD13 ILE A 84 8.820 -0.192 -2.942 1.00 0.00 H new ATOM 1147 N TYR A 85 4.543 1.388 -7.126 1.00 0.00 N ATOM 1148 CA TYR A 85 3.369 2.257 -7.125 1.00 0.00 C ATOM 1149 C TYR A 85 2.348 1.839 -6.075 1.00 0.00 C ATOM 1150 O TYR A 85 2.185 0.654 -5.782 1.00 0.00 O ATOM 1151 CB TYR A 85 2.716 2.261 -8.509 1.00 0.00 C ATOM 1152 CG TYR A 85 3.702 2.135 -9.650 1.00 0.00 C ATOM 1153 CD1 TYR A 85 5.030 2.510 -9.492 1.00 0.00 C ATOM 1154 CD2 TYR A 85 3.304 1.639 -10.886 1.00 0.00 C ATOM 1155 CE1 TYR A 85 5.933 2.395 -10.531 1.00 0.00 C ATOM 1156 CE2 TYR A 85 4.201 1.522 -11.931 1.00 0.00 C ATOM 1157 CZ TYR A 85 5.514 1.901 -11.748 1.00 0.00 C ATOM 1158 OH TYR A 85 6.411 1.785 -12.786 1.00 0.00 O ATOM 0 H TYR A 85 4.536 0.674 -7.854 1.00 0.00 H new ATOM 0 HA TYR A 85 3.709 3.262 -6.875 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.002 1.439 -8.566 1.00 0.00 H new ATOM 0 HB3 TYR A 85 2.150 3.184 -8.631 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.362 2.898 -8.541 1.00 0.00 H new ATOM 0 HD2 TYR A 85 2.277 1.340 -11.032 1.00 0.00 H new ATOM 0 HE1 TYR A 85 6.962 2.691 -10.391 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.875 1.136 -12.886 1.00 0.00 H new ATOM 0 HH TYR A 85 5.955 1.419 -13.573 1.00 0.00 H new ATOM 1168 N ILE A 86 1.658 2.829 -5.515 1.00 0.00 N ATOM 1169 CA ILE A 86 0.643 2.593 -4.502 1.00 0.00 C ATOM 1170 C ILE A 86 -0.676 3.250 -4.906 1.00 0.00 C ATOM 1171 O ILE A 86 -0.797 4.475 -4.890 1.00 0.00 O ATOM 1172 CB ILE A 86 1.096 3.149 -3.138 1.00 0.00 C ATOM 1173 CG1 ILE A 86 2.177 2.255 -2.530 1.00 0.00 C ATOM 1174 CG2 ILE A 86 -0.085 3.277 -2.193 1.00 0.00 C ATOM 1175 CD1 ILE A 86 3.284 3.029 -1.850 1.00 0.00 C ATOM 0 H ILE A 86 1.789 3.812 -5.752 1.00 0.00 H new ATOM 0 HA ILE A 86 0.497 1.516 -4.416 1.00 0.00 H new ATOM 0 HB ILE A 86 1.517 4.142 -3.294 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.717 1.582 -1.807 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.608 1.633 -3.315 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.256 3.671 -1.236 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.823 3.955 -2.622 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.538 2.297 -2.041 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.016 2.333 -1.441 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.770 3.682 -2.575 1.00 0.00 H new ATOM 0 HD13 ILE A 86 2.865 3.630 -1.043 1.00 0.00 H new ATOM 1187 N GLN A 87 -1.661 2.434 -5.271 1.00 0.00 N ATOM 1188 CA GLN A 87 -2.963 2.951 -5.682 1.00 0.00 C ATOM 1189 C GLN A 87 -4.099 2.087 -5.144 1.00 0.00 C ATOM 1190 O GLN A 87 -3.877 0.968 -4.682 1.00 0.00 O ATOM 1191 CB GLN A 87 -3.046 3.025 -7.207 1.00 0.00 C ATOM 1192 CG GLN A 87 -1.888 3.775 -7.844 1.00 0.00 C ATOM 1193 CD GLN A 87 -1.903 3.695 -9.358 1.00 0.00 C ATOM 1194 OE1 GLN A 87 -2.076 4.704 -10.043 1.00 0.00 O ATOM 1195 NE2 GLN A 87 -1.723 2.492 -9.890 1.00 0.00 N ATOM 0 H GLN A 87 -1.583 1.417 -5.291 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.069 3.952 -5.265 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -3.078 2.013 -7.610 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.981 3.510 -7.488 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.926 4.821 -7.539 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -0.948 3.368 -7.472 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -1.583 1.683 -9.285 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -1.725 2.377 -10.904 1.00 0.00 H new ATOM 1204 N PHE A 88 -5.319 2.613 -5.210 1.00 0.00 N ATOM 1205 CA PHE A 88 -6.492 1.889 -4.735 1.00 0.00 C ATOM 1206 C PHE A 88 -6.865 0.772 -5.706 1.00 0.00 C ATOM 1207 O PHE A 88 -7.148 1.025 -6.877 1.00 0.00 O ATOM 1208 CB PHE A 88 -7.675 2.844 -4.568 1.00 0.00 C ATOM 1209 CG PHE A 88 -7.281 4.238 -4.168 1.00 0.00 C ATOM 1210 CD1 PHE A 88 -7.161 4.584 -2.831 1.00 0.00 C ATOM 1211 CD2 PHE A 88 -7.036 5.204 -5.130 1.00 0.00 C ATOM 1212 CE1 PHE A 88 -6.803 5.867 -2.462 1.00 0.00 C ATOM 1213 CE2 PHE A 88 -6.679 6.489 -4.767 1.00 0.00 C ATOM 1214 CZ PHE A 88 -6.562 6.820 -3.432 1.00 0.00 C ATOM 0 H PHE A 88 -5.520 3.539 -5.588 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.250 1.448 -3.768 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -8.228 2.889 -5.506 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -8.353 2.439 -3.817 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -7.349 3.842 -2.069 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -7.125 4.950 -6.176 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -6.712 6.124 -1.417 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -6.492 7.233 -5.527 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.282 7.823 -3.146 1.00 0.00 H new