USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 839 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 84 SER OG : rot 125:sc= 0.936 USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0.947 USER MOD Set 2.1: A 65 ASN : amide:sc= -0.586 K(o=-0.41,f=-5.7!) USER MOD Set 2.2: A 67 THR OG1 : rot 98:sc= 0.175 USER MOD Set 3.1: A 60 TYR OH : rot 180:sc= 0.114 USER MOD Set 3.2: A 81 TYR OH : rot -25:sc= -0.0357! USER MOD Single : A 5 ASN : amide:sc= -0.36 X(o=-0.36,f=-0.52) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.038) USER MOD Single : A 26 MET CE :methyl -147:sc= -2.17 (180deg=-6.9!) USER MOD Single : A 27 SER OG : rot 47:sc= 0.984 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 149:sc= 0.0153 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 96:sc= -3.77! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.26) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -161:sc= -0.0833 (180deg=-0.768) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HE2:sc= -0.211 K(o=-0.21,f=-0.99) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.0196 X(o=-0.02,f=-0.02) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.641 X(o=-0.64,f=-0.51) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 73 N ASN A 5 7.759 3.366 -11.669 1.00 0.00 N ATOM 74 CA ASN A 5 7.993 4.105 -10.433 1.00 0.00 C ATOM 75 C ASN A 5 7.068 3.608 -9.340 1.00 0.00 C ATOM 76 O ASN A 5 6.471 4.366 -8.564 1.00 0.00 O ATOM 77 CB ASN A 5 7.797 5.628 -10.684 1.00 0.00 C ATOM 78 CG ASN A 5 6.766 6.029 -11.745 1.00 0.00 C ATOM 79 OD1 ASN A 5 6.802 5.595 -12.886 1.00 0.00 O ATOM 80 ND2 ASN A 5 5.818 6.864 -11.415 1.00 0.00 N ATOM 0 HA ASN A 5 9.019 3.940 -10.104 1.00 0.00 H new ATOM 0 HB2 ASN A 5 7.511 6.093 -9.741 1.00 0.00 H new ATOM 0 HB3 ASN A 5 8.760 6.051 -10.970 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.122 7.144 -12.106 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.773 7.236 -10.466 1.00 0.00 H new ATOM 87 N ALA A 6 6.931 2.291 -9.286 1.00 0.00 N ATOM 88 CA ALA A 6 5.987 1.632 -8.391 1.00 0.00 C ATOM 89 C ALA A 6 6.693 1.041 -7.191 1.00 0.00 C ATOM 90 O ALA A 6 7.924 1.077 -7.061 1.00 0.00 O ATOM 91 CB ALA A 6 5.228 0.575 -9.213 1.00 0.00 C ATOM 0 H ALA A 6 7.472 1.647 -9.862 1.00 0.00 H new ATOM 0 HA ALA A 6 5.275 2.350 -7.984 1.00 0.00 H new ATOM 0 HB1 ALA A 6 4.511 0.061 -8.572 1.00 0.00 H new ATOM 0 HB2 ALA A 6 4.699 1.062 -10.032 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.936 -0.148 -9.618 1.00 0.00 H new ATOM 97 N LEU A 7 5.904 0.499 -6.279 1.00 0.00 N ATOM 98 CA LEU A 7 6.421 -0.160 -5.084 1.00 0.00 C ATOM 99 C LEU A 7 6.284 -1.661 -5.193 1.00 0.00 C ATOM 100 O LEU A 7 5.189 -2.228 -5.075 1.00 0.00 O ATOM 101 CB LEU A 7 5.701 0.373 -3.812 1.00 0.00 C ATOM 102 CG LEU A 7 5.762 1.897 -3.522 1.00 0.00 C ATOM 103 CD1 LEU A 7 4.584 2.399 -2.671 1.00 0.00 C ATOM 104 CD2 LEU A 7 7.085 2.248 -2.826 1.00 0.00 C ATOM 0 H LEU A 7 4.886 0.502 -6.343 1.00 0.00 H new ATOM 0 HA LEU A 7 7.482 0.073 -4.998 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.651 0.088 -3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.118 -0.147 -2.950 1.00 0.00 H new ATOM 0 HG LEU A 7 5.696 2.399 -4.487 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.686 3.471 -2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.648 2.201 -3.193 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.582 1.881 -1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.118 3.319 -2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.158 1.702 -1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.920 1.973 -3.471 1.00 0.00 H new ATOM 116 N GLU A 8 7.397 -2.325 -5.445 1.00 0.00 N ATOM 117 CA GLU A 8 7.430 -3.780 -5.557 1.00 0.00 C ATOM 118 C GLU A 8 6.752 -4.433 -4.374 1.00 0.00 C ATOM 119 O GLU A 8 7.251 -4.401 -3.239 1.00 0.00 O ATOM 120 CB GLU A 8 8.913 -4.232 -5.673 1.00 0.00 C ATOM 121 CG GLU A 8 9.781 -3.571 -6.794 1.00 0.00 C ATOM 122 CD GLU A 8 11.123 -2.948 -6.401 1.00 0.00 C ATOM 123 OE1 GLU A 8 11.217 -2.001 -5.632 1.00 0.00 O ATOM 124 OE2 GLU A 8 12.197 -3.545 -6.987 1.00 0.00 O ATOM 0 H GLU A 8 8.304 -1.877 -5.578 1.00 0.00 H new ATOM 0 HA GLU A 8 6.882 -4.091 -6.447 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.399 -4.043 -4.716 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.925 -5.311 -5.829 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.976 -4.328 -7.553 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.179 -2.794 -7.266 1.00 0.00 H new ATOM 131 N THR A 9 5.603 -5.033 -4.615 1.00 0.00 N ATOM 132 CA THR A 9 4.847 -5.722 -3.566 1.00 0.00 C ATOM 133 C THR A 9 4.777 -7.204 -3.859 1.00 0.00 C ATOM 134 O THR A 9 4.430 -7.616 -4.979 1.00 0.00 O ATOM 135 CB THR A 9 3.422 -5.088 -3.433 1.00 0.00 C ATOM 136 OG1 THR A 9 3.339 -4.290 -2.260 1.00 0.00 O ATOM 137 CG2 THR A 9 2.241 -6.075 -3.309 1.00 0.00 C ATOM 0 H THR A 9 5.162 -5.062 -5.534 1.00 0.00 H new ATOM 0 HA THR A 9 5.357 -5.601 -2.611 1.00 0.00 H new ATOM 0 HB THR A 9 3.323 -4.538 -4.369 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.443 -3.900 -2.193 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.308 -5.517 -3.223 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.204 -6.711 -4.194 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.376 -6.695 -2.422 1.00 0.00 H new ATOM 145 N TRP A 10 5.125 -8.033 -2.894 1.00 0.00 N ATOM 146 CA TRP A 10 5.229 -9.478 -3.097 1.00 0.00 C ATOM 147 C TRP A 10 4.343 -10.223 -2.127 1.00 0.00 C ATOM 148 O TRP A 10 4.108 -9.767 -0.990 1.00 0.00 O ATOM 149 CB TRP A 10 6.707 -9.915 -2.893 1.00 0.00 C ATOM 150 CG TRP A 10 7.651 -9.533 -4.038 1.00 0.00 C ATOM 151 CD1 TRP A 10 8.561 -8.456 -4.032 1.00 0.00 C ATOM 152 CD2 TRP A 10 7.724 -10.082 -5.301 1.00 0.00 C ATOM 153 NE1 TRP A 10 9.204 -8.312 -5.277 1.00 0.00 N ATOM 154 CE2 TRP A 10 8.667 -9.332 -6.047 1.00 0.00 C ATOM 155 CE3 TRP A 10 7.050 -11.184 -5.888 1.00 0.00 C ATOM 156 CZ2 TRP A 10 8.932 -9.671 -7.392 1.00 0.00 C ATOM 157 CZ3 TRP A 10 7.256 -11.435 -7.246 1.00 0.00 C ATOM 158 CH2 TRP A 10 8.182 -10.689 -7.989 1.00 0.00 C ATOM 0 H TRP A 10 5.345 -7.731 -1.945 1.00 0.00 H new ATOM 0 HA TRP A 10 4.904 -9.715 -4.110 1.00 0.00 H new ATOM 0 HB2 TRP A 10 7.079 -9.471 -1.970 1.00 0.00 H new ATOM 0 HB3 TRP A 10 6.737 -10.997 -2.761 1.00 0.00 H new ATOM 0 HD1 TRP A 10 8.743 -7.820 -3.178 1.00 0.00 H new ATOM 0 HE1 TRP A 10 9.902 -7.619 -5.548 1.00 0.00 H new ATOM 0 HE3 TRP A 10 6.396 -11.811 -5.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 9.699 -9.154 -7.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 6.692 -12.217 -7.733 1.00 0.00 H new ATOM 0 HH2 TRP A 10 8.318 -10.904 -9.039 1.00 0.00 H new ATOM 169 N GLY A 11 3.841 -11.382 -2.517 1.00 0.00 N ATOM 170 CA GLY A 11 3.080 -12.233 -1.607 1.00 0.00 C ATOM 171 C GLY A 11 3.019 -13.667 -2.077 1.00 0.00 C ATOM 172 O GLY A 11 3.639 -14.075 -3.069 1.00 0.00 O ATOM 0 H GLY A 11 3.945 -11.759 -3.459 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.533 -12.197 -0.616 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.067 -11.842 -1.509 1.00 0.00 H new ATOM 176 N ALA A 12 2.271 -14.476 -1.344 1.00 0.00 N ATOM 177 CA ALA A 12 1.981 -15.857 -1.717 1.00 0.00 C ATOM 178 C ALA A 12 0.505 -16.040 -1.987 1.00 0.00 C ATOM 179 O ALA A 12 -0.321 -15.153 -1.723 1.00 0.00 O ATOM 180 CB ALA A 12 2.501 -16.763 -0.587 1.00 0.00 C ATOM 0 H ALA A 12 1.842 -14.192 -0.463 1.00 0.00 H new ATOM 0 HA ALA A 12 2.484 -16.127 -2.645 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.300 -17.805 -0.835 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.575 -16.619 -0.470 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.997 -16.508 0.345 1.00 0.00 H new ATOM 186 N LEU A 13 0.143 -17.197 -2.518 1.00 0.00 N ATOM 187 CA LEU A 13 -1.237 -17.425 -2.956 1.00 0.00 C ATOM 188 C LEU A 13 -2.157 -17.765 -1.806 1.00 0.00 C ATOM 189 O LEU A 13 -1.864 -18.616 -0.954 1.00 0.00 O ATOM 190 CB LEU A 13 -1.307 -18.542 -4.039 1.00 0.00 C ATOM 191 CG LEU A 13 -1.050 -18.163 -5.521 1.00 0.00 C ATOM 192 CD1 LEU A 13 0.445 -18.156 -5.879 1.00 0.00 C ATOM 193 CD2 LEU A 13 -1.793 -19.134 -6.451 1.00 0.00 C ATOM 0 H LEU A 13 0.772 -17.988 -2.658 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.581 -16.486 -3.391 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.586 -19.312 -3.766 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.296 -18.996 -3.981 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.426 -17.149 -5.657 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.567 -17.884 -6.928 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.966 -17.431 -5.253 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.864 -19.148 -5.710 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.606 -18.859 -7.489 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.438 -20.150 -6.275 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.863 -19.084 -6.250 1.00 0.00 H new ATOM 205 N GLY A 14 -3.301 -17.100 -1.772 1.00 0.00 N ATOM 206 CA GLY A 14 -4.258 -17.261 -0.671 1.00 0.00 C ATOM 207 C GLY A 14 -3.799 -16.440 0.519 1.00 0.00 C ATOM 208 O GLY A 14 -3.903 -16.824 1.690 1.00 0.00 O ATOM 0 H GLY A 14 -3.596 -16.441 -2.492 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.251 -16.940 -0.987 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.336 -18.312 -0.393 1.00 0.00 H new ATOM 212 N GLN A 15 -3.249 -15.274 0.195 1.00 0.00 N ATOM 213 CA GLN A 15 -2.568 -14.441 1.182 1.00 0.00 C ATOM 214 C GLN A 15 -3.004 -12.993 1.139 1.00 0.00 C ATOM 215 O GLN A 15 -3.041 -12.335 0.090 1.00 0.00 O ATOM 216 CB GLN A 15 -1.043 -14.550 0.937 1.00 0.00 C ATOM 217 CG GLN A 15 -0.125 -13.762 1.929 1.00 0.00 C ATOM 218 CD GLN A 15 1.164 -14.422 2.435 1.00 0.00 C ATOM 219 OE1 GLN A 15 1.136 -15.493 3.021 1.00 0.00 O ATOM 220 NE2 GLN A 15 2.321 -13.851 2.218 1.00 0.00 N ATOM 0 H GLN A 15 -3.261 -14.883 -0.747 1.00 0.00 H new ATOM 0 HA GLN A 15 -2.833 -14.805 2.175 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.764 -15.603 0.976 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.833 -14.202 -0.074 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.153 -12.825 1.446 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.727 -13.505 2.801 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.365 -12.956 1.730 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.179 -14.301 2.537 1.00 0.00 H new ATOM 229 N ASP A 16 -3.302 -12.457 2.312 1.00 0.00 N ATOM 230 CA ASP A 16 -3.663 -11.051 2.457 1.00 0.00 C ATOM 231 C ASP A 16 -2.432 -10.175 2.450 1.00 0.00 C ATOM 232 O ASP A 16 -1.425 -10.455 3.116 1.00 0.00 O ATOM 233 CB ASP A 16 -4.515 -10.845 3.737 1.00 0.00 C ATOM 234 CG ASP A 16 -4.296 -9.535 4.508 1.00 0.00 C ATOM 235 OD1 ASP A 16 -4.077 -8.466 3.956 1.00 0.00 O ATOM 236 OD2 ASP A 16 -4.376 -9.697 5.863 1.00 0.00 O ATOM 0 H ASP A 16 -3.301 -12.979 3.188 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.271 -10.753 1.603 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.567 -10.904 3.459 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.317 -11.676 4.415 1.00 0.00 H new ATOM 241 N ILE A 17 -2.495 -9.093 1.697 1.00 0.00 N ATOM 242 CA ILE A 17 -1.346 -8.210 1.507 1.00 0.00 C ATOM 243 C ILE A 17 -1.776 -6.762 1.529 1.00 0.00 C ATOM 244 O ILE A 17 -2.940 -6.428 1.241 1.00 0.00 O ATOM 245 CB ILE A 17 -0.545 -8.580 0.193 1.00 0.00 C ATOM 246 CG1 ILE A 17 0.751 -7.739 -0.042 1.00 0.00 C ATOM 247 CG2 ILE A 17 -1.420 -8.491 -1.095 1.00 0.00 C ATOM 248 CD1 ILE A 17 1.968 -8.118 0.827 1.00 0.00 C ATOM 0 H ILE A 17 -3.335 -8.798 1.200 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.659 -8.357 2.341 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.249 -9.613 0.375 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.035 -7.831 -1.090 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.516 -6.689 0.134 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.817 -8.756 -1.964 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.260 -9.181 -1.013 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.796 -7.474 -1.210 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.808 -7.470 0.579 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.715 -7.997 1.880 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.242 -9.156 0.637 1.00 0.00 H new ATOM 260 N ASN A 18 -0.859 -5.867 1.844 1.00 0.00 N ATOM 261 CA ASN A 18 -1.193 -4.460 2.055 1.00 0.00 C ATOM 262 C ASN A 18 -0.530 -3.550 1.043 1.00 0.00 C ATOM 263 O ASN A 18 0.218 -3.955 0.143 1.00 0.00 O ATOM 264 CB ASN A 18 -0.780 -4.053 3.502 1.00 0.00 C ATOM 265 CG ASN A 18 -1.571 -4.686 4.651 1.00 0.00 C ATOM 266 OD1 ASN A 18 -1.889 -5.866 4.653 1.00 0.00 O ATOM 267 ND2 ASN A 18 -1.919 -3.936 5.662 1.00 0.00 N ATOM 0 H ASN A 18 0.130 -6.085 1.961 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.269 -4.344 1.922 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.273 -4.301 3.637 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.865 -2.970 3.587 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.448 -4.337 6.437 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.662 -2.949 5.677 1.00 0.00 H new ATOM 274 N LEU A 19 -0.789 -2.260 1.200 1.00 0.00 N ATOM 275 CA LEU A 19 -0.290 -1.211 0.316 1.00 0.00 C ATOM 276 C LEU A 19 0.135 -0.010 1.136 1.00 0.00 C ATOM 277 O LEU A 19 -0.655 0.510 1.951 1.00 0.00 O ATOM 278 CB LEU A 19 -1.365 -0.834 -0.743 1.00 0.00 C ATOM 279 CG LEU A 19 -1.993 -1.992 -1.571 1.00 0.00 C ATOM 280 CD1 LEU A 19 -2.895 -1.433 -2.679 1.00 0.00 C ATOM 281 CD2 LEU A 19 -0.932 -2.920 -2.186 1.00 0.00 C ATOM 0 H LEU A 19 -1.365 -1.903 1.962 1.00 0.00 H new ATOM 0 HA LEU A 19 0.583 -1.578 -0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.172 -0.310 -0.231 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.917 -0.126 -1.440 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.588 -2.586 -0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.326 -2.257 -3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.695 -0.842 -2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.306 -0.802 -3.344 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.424 -3.710 -2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.287 -2.345 -2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.332 -3.364 -1.391 1.00 0.00 H new ATOM 293 N ASP A 20 1.347 0.473 0.946 1.00 0.00 N ATOM 294 CA ASP A 20 1.918 1.506 1.808 1.00 0.00 C ATOM 295 C ASP A 20 2.261 2.761 1.036 1.00 0.00 C ATOM 296 O ASP A 20 3.127 2.791 0.152 1.00 0.00 O ATOM 297 CB ASP A 20 3.153 0.943 2.561 1.00 0.00 C ATOM 298 CG ASP A 20 3.001 -0.455 3.179 1.00 0.00 C ATOM 299 OD1 ASP A 20 2.246 -0.451 4.319 1.00 0.00 O ATOM 300 OD2 ASP A 20 3.489 -1.460 2.684 1.00 0.00 O ATOM 0 H ASP A 20 1.966 0.167 0.196 1.00 0.00 H new ATOM 0 HA ASP A 20 1.164 1.792 2.542 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.994 0.920 1.868 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.415 1.641 3.356 1.00 0.00 H new ATOM 305 N ILE A 21 1.589 3.846 1.388 1.00 0.00 N ATOM 306 CA ILE A 21 1.847 5.171 0.835 1.00 0.00 C ATOM 307 C ILE A 21 3.058 5.812 1.472 1.00 0.00 C ATOM 308 O ILE A 21 3.402 5.556 2.635 1.00 0.00 O ATOM 309 CB ILE A 21 0.561 6.093 0.957 1.00 0.00 C ATOM 310 CG1 ILE A 21 0.783 7.610 0.653 1.00 0.00 C ATOM 311 CG2 ILE A 21 -0.120 5.982 2.358 1.00 0.00 C ATOM 312 CD1 ILE A 21 -0.170 8.584 1.380 1.00 0.00 C ATOM 0 H ILE A 21 0.837 3.833 2.077 1.00 0.00 H new ATOM 0 HA ILE A 21 2.071 5.054 -0.225 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.085 5.695 0.174 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.808 7.869 0.917 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.682 7.765 -0.421 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.994 6.632 2.390 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.428 4.951 2.532 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.586 6.286 3.131 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.072 9.609 1.097 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.200 8.363 1.099 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.056 8.468 2.458 1.00 0.00 H new ATOM 324 N PRO A 22 3.730 6.666 0.718 1.00 0.00 N ATOM 325 CA PRO A 22 4.907 7.539 1.140 1.00 0.00 C ATOM 326 C PRO A 22 4.734 8.277 2.452 1.00 0.00 C ATOM 327 O PRO A 22 3.746 8.144 3.186 1.00 0.00 O ATOM 328 CB PRO A 22 5.077 8.578 0.035 1.00 0.00 C ATOM 329 CG PRO A 22 4.681 7.749 -1.198 1.00 0.00 C ATOM 330 CD PRO A 22 3.462 6.956 -0.716 1.00 0.00 C ATOM 0 HA PRO A 22 5.763 6.881 1.289 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.430 9.443 0.177 1.00 0.00 H new ATOM 0 HB3 PRO A 22 6.099 8.952 -0.028 1.00 0.00 H new ATOM 0 HG2 PRO A 22 4.436 8.385 -2.048 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.489 7.090 -1.516 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.544 7.532 -0.837 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.339 6.036 -1.288 1.00 0.00 H new ATOM 338 N SER A 23 5.722 9.114 2.750 1.00 0.00 N ATOM 339 CA SER A 23 5.705 9.929 3.961 1.00 0.00 C ATOM 340 C SER A 23 5.030 11.265 3.746 1.00 0.00 C ATOM 341 O SER A 23 5.364 12.271 4.399 1.00 0.00 O ATOM 342 CB SER A 23 7.143 10.113 4.513 1.00 0.00 C ATOM 343 OG SER A 23 7.519 9.089 5.440 1.00 0.00 O ATOM 0 H SER A 23 6.548 9.247 2.167 1.00 0.00 H new ATOM 0 HA SER A 23 5.112 9.394 4.703 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.848 10.120 3.682 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.217 11.084 5.002 1.00 0.00 H new ATOM 0 HG SER A 23 8.433 9.252 5.755 1.00 0.00 H new ATOM 349 N PHE A 24 4.061 11.315 2.853 1.00 0.00 N ATOM 350 CA PHE A 24 3.216 12.492 2.655 1.00 0.00 C ATOM 351 C PHE A 24 1.756 12.103 2.714 1.00 0.00 C ATOM 352 O PHE A 24 1.108 11.864 1.680 1.00 0.00 O ATOM 353 CB PHE A 24 3.511 13.140 1.268 1.00 0.00 C ATOM 354 CG PHE A 24 4.781 13.991 1.117 1.00 0.00 C ATOM 355 CD1 PHE A 24 5.430 14.543 2.224 1.00 0.00 C ATOM 356 CD2 PHE A 24 5.292 14.227 -0.169 1.00 0.00 C ATOM 357 CE1 PHE A 24 6.593 15.292 2.052 1.00 0.00 C ATOM 358 CE2 PHE A 24 6.456 14.968 -0.337 1.00 0.00 C ATOM 359 CZ PHE A 24 7.110 15.497 0.773 1.00 0.00 C ATOM 0 H PHE A 24 3.830 10.537 2.236 1.00 0.00 H new ATOM 0 HA PHE A 24 3.436 13.208 3.447 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.558 12.339 0.530 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.658 13.766 1.005 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.030 14.389 3.215 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.778 13.831 -1.032 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.094 15.714 2.910 1.00 0.00 H new ATOM 0 HE2 PHE A 24 6.853 15.133 -1.328 1.00 0.00 H new ATOM 0 HZ PHE A 24 8.018 16.067 0.643 1.00 0.00 H new ATOM 369 N GLN A 25 1.208 12.012 3.911 1.00 0.00 N ATOM 370 CA GLN A 25 -0.143 11.488 4.120 1.00 0.00 C ATOM 371 C GLN A 25 -1.021 12.483 4.844 1.00 0.00 C ATOM 372 O GLN A 25 -0.570 13.513 5.364 1.00 0.00 O ATOM 373 CB GLN A 25 -0.044 10.166 4.914 1.00 0.00 C ATOM 374 CG GLN A 25 1.387 9.743 5.386 1.00 0.00 C ATOM 375 CD GLN A 25 2.011 10.438 6.603 1.00 0.00 C ATOM 376 OE1 GLN A 25 3.172 10.232 6.919 1.00 0.00 O ATOM 377 NE2 GLN A 25 1.292 11.253 7.331 1.00 0.00 N ATOM 0 H GLN A 25 1.680 12.297 4.769 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.606 11.305 3.150 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.684 10.247 5.793 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.451 9.365 4.296 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.360 8.674 5.597 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.065 9.885 4.544 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.320 11.437 7.082 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.703 11.705 8.148 1.00 0.00 H new ATOM 386 N MET A 26 -2.305 12.168 4.906 1.00 0.00 N ATOM 387 CA MET A 26 -3.305 13.063 5.478 1.00 0.00 C ATOM 388 C MET A 26 -2.966 13.413 6.909 1.00 0.00 C ATOM 389 O MET A 26 -2.283 12.667 7.624 1.00 0.00 O ATOM 390 CB MET A 26 -4.715 12.415 5.389 1.00 0.00 C ATOM 391 CG MET A 26 -5.016 11.305 6.419 1.00 0.00 C ATOM 392 SD MET A 26 -6.791 11.199 6.701 1.00 0.00 S ATOM 393 CE MET A 26 -7.112 9.667 5.815 1.00 0.00 C ATOM 0 H MET A 26 -2.686 11.286 4.562 1.00 0.00 H new ATOM 0 HA MET A 26 -3.308 13.988 4.902 1.00 0.00 H new ATOM 0 HB2 MET A 26 -5.462 13.201 5.502 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.839 11.999 4.389 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.638 10.349 6.057 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.502 11.517 7.356 1.00 0.00 H new ATOM 0 HE1 MET A 26 -8.105 9.707 5.367 1.00 0.00 H new ATOM 0 HE2 MET A 26 -6.365 9.536 5.032 1.00 0.00 H new ATOM 0 HE3 MET A 26 -7.061 8.828 6.509 1.00 0.00 H new ATOM 403 N SER A 27 -3.459 14.555 7.352 1.00 0.00 N ATOM 404 CA SER A 27 -3.123 15.095 8.665 1.00 0.00 C ATOM 405 C SER A 27 -3.950 16.329 8.970 1.00 0.00 C ATOM 406 O SER A 27 -4.920 16.318 9.739 1.00 0.00 O ATOM 407 CB SER A 27 -1.603 15.382 8.768 1.00 0.00 C ATOM 408 OG SER A 27 -0.865 14.275 9.300 1.00 0.00 O ATOM 0 H SER A 27 -4.103 15.137 6.816 1.00 0.00 H new ATOM 0 HA SER A 27 -3.367 14.346 9.418 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.217 15.629 7.779 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.445 16.256 9.400 1.00 0.00 H new ATOM 0 HG SER A 27 -1.149 13.449 8.856 1.00 0.00 H new ATOM 414 N ASP A 28 -3.533 17.433 8.366 1.00 0.00 N ATOM 415 CA ASP A 28 -4.151 18.733 8.598 1.00 0.00 C ATOM 416 C ASP A 28 -5.541 18.802 8.011 1.00 0.00 C ATOM 417 O ASP A 28 -6.561 18.818 8.729 1.00 0.00 O ATOM 418 CB ASP A 28 -3.239 19.864 8.047 1.00 0.00 C ATOM 419 CG ASP A 28 -2.638 19.653 6.650 1.00 0.00 C ATOM 420 OD1 ASP A 28 -1.667 18.941 6.441 1.00 0.00 O ATOM 421 OD2 ASP A 28 -3.295 20.359 5.680 1.00 0.00 O ATOM 0 H ASP A 28 -2.759 17.454 7.703 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.259 18.874 9.673 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.816 20.788 8.032 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.419 20.012 8.750 1.00 0.00 H new ATOM 426 N ASP A 29 -5.635 18.822 6.693 1.00 0.00 N ATOM 427 CA ASP A 29 -6.913 19.042 6.017 1.00 0.00 C ATOM 428 C ASP A 29 -7.086 18.149 4.810 1.00 0.00 C ATOM 429 O ASP A 29 -7.872 18.470 3.891 1.00 0.00 O ATOM 430 CB ASP A 29 -7.057 20.541 5.636 1.00 0.00 C ATOM 431 CG ASP A 29 -7.137 21.550 6.790 1.00 0.00 C ATOM 432 OD1 ASP A 29 -6.587 21.383 7.869 1.00 0.00 O ATOM 433 OD2 ASP A 29 -7.867 22.662 6.469 1.00 0.00 O ATOM 0 H ASP A 29 -4.843 18.689 6.064 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.709 18.775 6.712 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.210 20.813 5.007 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.955 20.651 5.027 1.00 0.00 H new ATOM 438 N ILE A 30 -6.407 17.019 4.761 1.00 0.00 N ATOM 439 CA ILE A 30 -6.623 16.038 3.695 1.00 0.00 C ATOM 440 C ILE A 30 -7.864 15.220 3.970 1.00 0.00 C ATOM 441 O ILE A 30 -8.073 14.713 5.084 1.00 0.00 O ATOM 442 CB ILE A 30 -5.347 15.130 3.471 1.00 0.00 C ATOM 443 CG1 ILE A 30 -4.254 15.763 2.550 1.00 0.00 C ATOM 444 CG2 ILE A 30 -5.698 13.719 2.907 1.00 0.00 C ATOM 445 CD1 ILE A 30 -4.131 17.299 2.610 1.00 0.00 C ATOM 0 H ILE A 30 -5.699 16.750 5.444 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.785 16.579 2.762 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.934 15.038 4.476 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.289 15.330 2.813 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.463 15.474 1.520 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.783 13.142 2.774 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.355 13.201 3.606 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.202 13.826 1.946 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.343 17.628 1.932 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.077 17.752 2.314 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.885 17.605 3.627 1.00 0.00 H new ATOM 457 N ASP A 31 -8.697 15.060 2.957 1.00 0.00 N ATOM 458 CA ASP A 31 -10.002 14.425 3.123 1.00 0.00 C ATOM 459 C ASP A 31 -10.232 13.301 2.138 1.00 0.00 C ATOM 460 O ASP A 31 -10.994 12.350 2.443 1.00 0.00 O ATOM 461 CB ASP A 31 -11.125 15.497 3.029 1.00 0.00 C ATOM 462 CG ASP A 31 -12.062 15.622 4.239 1.00 0.00 C ATOM 463 OD1 ASP A 31 -12.291 14.426 4.860 1.00 0.00 O ATOM 464 OD2 ASP A 31 -12.561 16.682 4.588 1.00 0.00 O ATOM 0 H ASP A 31 -8.496 15.361 2.004 1.00 0.00 H new ATOM 0 HA ASP A 31 -10.025 13.969 4.113 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.657 16.467 2.860 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.731 15.278 2.150 1.00 0.00 H new ATOM 469 N ASP A 32 -9.608 13.319 0.977 1.00 0.00 N ATOM 470 CA ASP A 32 -9.918 12.352 -0.079 1.00 0.00 C ATOM 471 C ASP A 32 -8.833 11.308 -0.203 1.00 0.00 C ATOM 472 O ASP A 32 -7.630 11.586 -0.095 1.00 0.00 O ATOM 473 CB ASP A 32 -10.168 13.091 -1.419 1.00 0.00 C ATOM 474 CG ASP A 32 -11.127 12.411 -2.408 1.00 0.00 C ATOM 475 OD1 ASP A 32 -10.663 11.203 -2.850 1.00 0.00 O ATOM 476 OD2 ASP A 32 -12.198 12.898 -2.740 1.00 0.00 O ATOM 0 H ASP A 32 -8.880 13.991 0.732 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.832 11.822 0.189 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.558 14.084 -1.194 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.208 13.231 -1.916 1.00 0.00 H new ATOM 481 N ILE A 33 -9.250 10.074 -0.417 1.00 0.00 N ATOM 482 CA ILE A 33 -8.339 8.968 -0.693 1.00 0.00 C ATOM 483 C ILE A 33 -8.821 8.161 -1.874 1.00 0.00 C ATOM 484 O ILE A 33 -10.032 8.105 -2.166 1.00 0.00 O ATOM 485 CB ILE A 33 -8.127 8.064 0.590 1.00 0.00 C ATOM 486 CG1 ILE A 33 -8.398 8.789 1.948 1.00 0.00 C ATOM 487 CG2 ILE A 33 -6.705 7.426 0.655 1.00 0.00 C ATOM 488 CD1 ILE A 33 -7.240 9.647 2.497 1.00 0.00 C ATOM 0 H ILE A 33 -10.234 9.805 -0.405 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.366 9.385 -0.953 1.00 0.00 H new ATOM 0 HB ILE A 33 -8.879 7.285 0.465 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -9.273 9.428 1.828 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.653 8.037 2.695 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.620 6.818 1.556 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.547 6.799 -0.222 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.953 8.215 0.677 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.540 10.101 3.441 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.365 9.017 2.659 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.995 10.430 1.779 1.00 0.00 H new ATOM 500 N LYS A 34 -7.906 7.537 -2.595 1.00 0.00 N ATOM 501 CA LYS A 34 -8.284 6.624 -3.672 1.00 0.00 C ATOM 502 C LYS A 34 -7.228 5.567 -3.921 1.00 0.00 C ATOM 503 O LYS A 34 -6.015 5.763 -3.768 1.00 0.00 O ATOM 504 CB LYS A 34 -8.564 7.433 -4.967 1.00 0.00 C ATOM 505 CG LYS A 34 -9.378 6.640 -6.023 1.00 0.00 C ATOM 506 CD LYS A 34 -10.076 7.500 -7.079 1.00 0.00 C ATOM 507 CE LYS A 34 -9.386 7.302 -8.436 1.00 0.00 C ATOM 508 NZ LYS A 34 -10.403 7.045 -9.470 1.00 0.00 N ATOM 0 H LYS A 34 -6.900 7.641 -2.460 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.190 6.101 -3.366 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.106 8.343 -4.709 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.615 7.741 -5.406 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.709 5.943 -6.528 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.130 6.043 -5.507 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.128 7.225 -7.150 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.040 8.550 -6.790 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.805 8.188 -8.694 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.687 6.467 -8.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.937 6.911 -10.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.938 6.188 -9.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.053 7.855 -9.526 1.00 0.00 H new ATOM 522 N TRP A 35 -7.699 4.405 -4.345 1.00 0.00 N ATOM 523 CA TRP A 35 -6.851 3.291 -4.755 1.00 0.00 C ATOM 524 C TRP A 35 -7.496 2.542 -5.900 1.00 0.00 C ATOM 525 O TRP A 35 -8.521 1.863 -5.724 1.00 0.00 O ATOM 526 CB TRP A 35 -6.647 2.322 -3.559 1.00 0.00 C ATOM 527 CG TRP A 35 -5.484 2.663 -2.625 1.00 0.00 C ATOM 528 CD1 TRP A 35 -5.592 3.373 -1.409 1.00 0.00 C ATOM 529 CD2 TRP A 35 -4.166 2.271 -2.724 1.00 0.00 C ATOM 530 NE1 TRP A 35 -4.356 3.428 -0.734 1.00 0.00 N ATOM 531 CE2 TRP A 35 -3.491 2.736 -1.567 1.00 0.00 C ATOM 532 CE3 TRP A 35 -3.470 1.545 -3.727 1.00 0.00 C ATOM 533 CZ2 TRP A 35 -2.122 2.443 -1.382 1.00 0.00 C ATOM 534 CZ3 TRP A 35 -2.134 1.214 -3.488 1.00 0.00 C ATOM 535 CH2 TRP A 35 -1.476 1.637 -2.324 1.00 0.00 C ATOM 0 H TRP A 35 -8.696 4.204 -4.416 1.00 0.00 H new ATOM 0 HA TRP A 35 -5.887 3.682 -5.079 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -7.566 2.298 -2.973 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.493 1.317 -3.951 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.506 3.817 -1.043 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -4.147 3.873 0.159 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.959 1.258 -4.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.585 2.834 -0.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.597 0.621 -4.214 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.453 1.335 -2.153 1.00 0.00 H new ATOM 546 N GLU A 36 -6.936 2.663 -7.088 1.00 0.00 N ATOM 547 CA GLU A 36 -7.560 2.102 -8.284 1.00 0.00 C ATOM 548 C GLU A 36 -6.846 0.846 -8.722 1.00 0.00 C ATOM 549 O GLU A 36 -5.649 0.649 -8.435 1.00 0.00 O ATOM 550 CB GLU A 36 -7.550 3.182 -9.402 1.00 0.00 C ATOM 551 CG GLU A 36 -8.844 3.326 -10.270 1.00 0.00 C ATOM 552 CD GLU A 36 -8.775 4.177 -11.540 1.00 0.00 C ATOM 553 OE1 GLU A 36 -7.881 4.985 -11.752 1.00 0.00 O ATOM 554 OE2 GLU A 36 -9.799 3.949 -12.409 1.00 0.00 O ATOM 0 H GLU A 36 -6.052 3.143 -7.257 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.591 1.821 -8.067 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.346 4.147 -8.938 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.717 2.968 -10.071 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.164 2.325 -10.558 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.626 3.740 -9.634 1.00 0.00 H new ATOM 561 N LYS A 37 -7.551 -0.003 -9.444 1.00 0.00 N ATOM 562 CA LYS A 37 -6.963 -1.238 -9.964 1.00 0.00 C ATOM 563 C LYS A 37 -6.349 -0.970 -11.318 1.00 0.00 C ATOM 564 O LYS A 37 -6.978 -1.180 -12.364 1.00 0.00 O ATOM 565 CB LYS A 37 -8.042 -2.352 -10.037 1.00 0.00 C ATOM 566 CG LYS A 37 -7.533 -3.658 -10.696 1.00 0.00 C ATOM 567 CD LYS A 37 -8.631 -4.646 -11.100 1.00 0.00 C ATOM 568 CE LYS A 37 -9.907 -3.868 -11.448 1.00 0.00 C ATOM 569 NZ LYS A 37 -10.979 -4.817 -11.797 1.00 0.00 N ATOM 0 H LYS A 37 -8.532 0.133 -9.688 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.176 -1.584 -9.294 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.393 -2.575 -9.029 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.900 -1.981 -10.598 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.954 -3.399 -11.582 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.853 -4.156 -10.005 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.307 -5.238 -11.956 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.827 -5.344 -10.286 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.213 -3.252 -10.602 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.718 -3.193 -12.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.900 -4.415 -11.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.966 -4.994 -12.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.829 -5.712 -11.289 1.00 0.00 H new ATOM 583 N THR A 38 -5.126 -0.478 -11.305 1.00 0.00 N ATOM 584 CA THR A 38 -4.475 0.053 -12.502 1.00 0.00 C ATOM 585 C THR A 38 -4.590 -0.865 -13.700 1.00 0.00 C ATOM 586 O THR A 38 -4.475 -0.408 -14.857 1.00 0.00 O ATOM 587 CB THR A 38 -2.968 0.382 -12.220 1.00 0.00 C ATOM 588 OG1 THR A 38 -2.207 -0.814 -12.132 1.00 0.00 O ATOM 589 CG2 THR A 38 -2.667 1.139 -10.910 1.00 0.00 C ATOM 0 H THR A 38 -4.548 -0.432 -10.466 1.00 0.00 H new ATOM 0 HA THR A 38 -5.007 0.971 -12.752 1.00 0.00 H new ATOM 0 HB THR A 38 -2.704 1.026 -13.059 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.792 -1.002 -13.000 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.594 1.309 -10.826 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.187 2.097 -10.916 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.008 0.547 -10.061 1.00 0.00 H new ATOM 597 N SER A 39 -4.790 -2.151 -13.489 1.00 0.00 N ATOM 598 CA SER A 39 -4.945 -3.112 -14.581 1.00 0.00 C ATOM 599 C SER A 39 -5.918 -2.618 -15.628 1.00 0.00 C ATOM 600 O SER A 39 -5.537 -2.300 -16.768 1.00 0.00 O ATOM 601 CB SER A 39 -5.362 -4.502 -14.037 1.00 0.00 C ATOM 602 OG SER A 39 -5.043 -5.569 -14.937 1.00 0.00 O ATOM 0 H SER A 39 -4.851 -2.566 -12.559 1.00 0.00 H new ATOM 0 HA SER A 39 -3.975 -3.216 -15.068 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.866 -4.677 -13.083 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.435 -4.504 -13.844 1.00 0.00 H new ATOM 0 HG SER A 39 -5.325 -6.422 -14.546 1.00 0.00 H new ATOM 608 N ASP A 40 -7.189 -2.563 -15.279 1.00 0.00 N ATOM 609 CA ASP A 40 -8.218 -1.999 -16.151 1.00 0.00 C ATOM 610 C ASP A 40 -8.771 -0.701 -15.606 1.00 0.00 C ATOM 611 O ASP A 40 -9.903 -0.297 -15.945 1.00 0.00 O ATOM 612 CB ASP A 40 -9.343 -3.042 -16.388 1.00 0.00 C ATOM 613 CG ASP A 40 -9.197 -4.395 -15.678 1.00 0.00 C ATOM 614 OD1 ASP A 40 -8.163 -5.047 -15.690 1.00 0.00 O ATOM 615 OD2 ASP A 40 -10.348 -4.796 -15.058 1.00 0.00 O ATOM 0 H ASP A 40 -7.543 -2.906 -14.386 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.757 -1.761 -17.110 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.289 -2.597 -16.079 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.413 -3.227 -17.460 1.00 0.00 H new ATOM 620 N LYS A 41 -8.011 0.000 -14.786 1.00 0.00 N ATOM 621 CA LYS A 41 -8.426 1.302 -14.265 1.00 0.00 C ATOM 622 C LYS A 41 -9.786 1.212 -13.616 1.00 0.00 C ATOM 623 O LYS A 41 -10.757 1.857 -14.036 1.00 0.00 O ATOM 624 CB LYS A 41 -8.427 2.343 -15.418 1.00 0.00 C ATOM 625 CG LYS A 41 -8.222 3.799 -14.922 1.00 0.00 C ATOM 626 CD LYS A 41 -9.076 4.848 -15.637 1.00 0.00 C ATOM 627 CE LYS A 41 -8.161 5.859 -16.341 1.00 0.00 C ATOM 628 NZ LYS A 41 -8.926 7.079 -16.651 1.00 0.00 N ATOM 0 H LYS A 41 -7.095 -0.308 -14.460 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.719 1.622 -13.500 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.638 2.092 -16.127 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.372 2.279 -15.957 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.441 3.838 -13.855 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.171 4.064 -15.041 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.730 4.366 -16.363 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.718 5.360 -14.920 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.311 6.102 -15.704 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.759 5.426 -17.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.307 7.765 -17.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.723 6.840 -17.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.289 7.495 -15.769 1.00 0.00 H new ATOM 642 N LYS A 42 -9.884 0.385 -12.584 1.00 0.00 N ATOM 643 CA LYS A 42 -11.175 0.100 -11.957 1.00 0.00 C ATOM 644 C LYS A 42 -11.151 0.287 -10.454 1.00 0.00 C ATOM 645 O LYS A 42 -10.638 -0.538 -9.687 1.00 0.00 O ATOM 646 CB LYS A 42 -11.609 -1.347 -12.320 1.00 0.00 C ATOM 647 CG LYS A 42 -12.650 -1.409 -13.467 1.00 0.00 C ATOM 648 CD LYS A 42 -13.930 -0.602 -13.231 1.00 0.00 C ATOM 649 CE LYS A 42 -14.777 -1.294 -12.155 1.00 0.00 C ATOM 650 NZ LYS A 42 -15.932 -0.442 -11.818 1.00 0.00 N ATOM 0 H LYS A 42 -9.092 -0.100 -12.162 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.899 0.817 -12.343 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.728 -1.921 -12.608 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.026 -1.826 -11.434 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.179 -1.053 -14.383 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.922 -2.451 -13.633 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.681 0.412 -12.918 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.497 -0.519 -14.158 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.119 -2.264 -12.514 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.175 -1.478 -11.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.507 -0.910 -11.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.595 0.474 -11.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.510 -0.288 -12.669 1.00 0.00 H new ATOM 664 N LYS A 43 -11.760 1.376 -10.009 1.00 0.00 N ATOM 665 CA LYS A 43 -11.761 1.787 -8.610 1.00 0.00 C ATOM 666 C LYS A 43 -12.110 0.639 -7.688 1.00 0.00 C ATOM 667 O LYS A 43 -13.098 -0.087 -7.861 1.00 0.00 O ATOM 668 CB LYS A 43 -12.759 2.964 -8.418 1.00 0.00 C ATOM 669 CG LYS A 43 -13.953 2.933 -9.404 1.00 0.00 C ATOM 670 CD LYS A 43 -15.272 3.465 -8.838 1.00 0.00 C ATOM 671 CE LYS A 43 -15.113 4.950 -8.486 1.00 0.00 C ATOM 672 NZ LYS A 43 -15.550 5.774 -9.626 1.00 0.00 N ATOM 0 H LYS A 43 -12.276 2.010 -10.619 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.755 2.114 -8.348 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.141 2.942 -7.397 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -12.224 3.906 -8.538 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.692 3.517 -10.286 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.105 1.906 -9.735 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -16.072 3.336 -9.567 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -15.555 2.898 -7.951 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.704 5.191 -7.602 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.073 5.168 -8.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.442 6.781 -9.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.968 5.551 -10.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.548 5.573 -9.837 1.00 0.00 H new ATOM 686 N ILE A 44 -11.270 0.446 -6.685 1.00 0.00 N ATOM 687 CA ILE A 44 -11.420 -0.624 -5.706 1.00 0.00 C ATOM 688 C ILE A 44 -11.654 -0.074 -4.318 1.00 0.00 C ATOM 689 O ILE A 44 -12.306 -0.712 -3.470 1.00 0.00 O ATOM 690 CB ILE A 44 -10.177 -1.607 -5.743 1.00 0.00 C ATOM 691 CG1 ILE A 44 -8.796 -0.912 -5.515 1.00 0.00 C ATOM 692 CG2 ILE A 44 -10.094 -2.429 -7.067 1.00 0.00 C ATOM 693 CD1 ILE A 44 -7.635 -1.837 -5.096 1.00 0.00 C ATOM 0 H ILE A 44 -10.453 1.035 -6.523 1.00 0.00 H new ATOM 0 HA ILE A 44 -12.304 -1.201 -5.976 1.00 0.00 H new ATOM 0 HB ILE A 44 -10.366 -2.274 -4.902 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.513 -0.400 -6.435 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.919 -0.146 -4.749 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -9.223 -3.084 -7.035 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.996 -3.030 -7.179 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.004 -1.748 -7.913 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.728 -1.247 -4.966 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.884 -2.331 -4.157 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.472 -2.588 -5.868 1.00 0.00 H new ATOM 705 N ALA A 45 -11.125 1.102 -4.037 1.00 0.00 N ATOM 706 CA ALA A 45 -11.159 1.668 -2.689 1.00 0.00 C ATOM 707 C ALA A 45 -11.028 3.176 -2.743 1.00 0.00 C ATOM 708 O ALA A 45 -10.068 3.691 -3.366 1.00 0.00 O ATOM 709 CB ALA A 45 -10.039 0.978 -1.886 1.00 0.00 C ATOM 0 H ALA A 45 -10.661 1.693 -4.727 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.112 1.485 -2.192 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.026 1.370 -0.869 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.220 -0.096 -1.858 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.078 1.172 -2.362 1.00 0.00 H new ATOM 715 N GLN A 46 -11.918 3.921 -2.112 1.00 0.00 N ATOM 716 CA GLN A 46 -11.869 5.385 -2.200 1.00 0.00 C ATOM 717 C GLN A 46 -12.791 6.074 -1.219 1.00 0.00 C ATOM 718 O GLN A 46 -13.853 5.584 -0.813 1.00 0.00 O ATOM 719 CB GLN A 46 -12.228 5.788 -3.650 1.00 0.00 C ATOM 720 CG GLN A 46 -12.584 7.295 -3.875 1.00 0.00 C ATOM 721 CD GLN A 46 -13.682 7.663 -4.880 1.00 0.00 C ATOM 722 OE1 GLN A 46 -13.443 8.375 -5.843 1.00 0.00 O ATOM 723 NE2 GLN A 46 -14.902 7.225 -4.706 1.00 0.00 N ATOM 0 H GLN A 46 -12.676 3.551 -1.539 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.862 5.709 -1.937 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.387 5.534 -4.295 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.074 5.183 -3.975 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -12.870 7.712 -2.909 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -11.672 7.805 -4.185 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -15.121 6.629 -3.908 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -15.635 7.479 -5.369 1.00 0.00 H new ATOM 732 N PHE A 47 -12.391 7.278 -0.831 1.00 0.00 N ATOM 733 CA PHE A 47 -13.200 8.178 -0.018 1.00 0.00 C ATOM 734 C PHE A 47 -13.421 9.489 -0.741 1.00 0.00 C ATOM 735 O PHE A 47 -12.481 10.288 -0.922 1.00 0.00 O ATOM 736 CB PHE A 47 -12.487 8.479 1.337 1.00 0.00 C ATOM 737 CG PHE A 47 -12.935 7.661 2.559 1.00 0.00 C ATOM 738 CD1 PHE A 47 -12.375 6.399 2.788 1.00 0.00 C ATOM 739 CD2 PHE A 47 -13.845 8.187 3.480 1.00 0.00 C ATOM 740 CE1 PHE A 47 -12.693 5.687 3.939 1.00 0.00 C ATOM 741 CE2 PHE A 47 -14.168 7.470 4.630 1.00 0.00 C ATOM 742 CZ PHE A 47 -13.589 6.224 4.861 1.00 0.00 C ATOM 0 H PHE A 47 -11.479 7.664 -1.077 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.157 7.690 0.167 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -11.417 8.323 1.199 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -12.628 9.535 1.566 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -11.692 5.976 2.066 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -14.298 9.151 3.300 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -12.247 4.720 4.118 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -14.868 7.880 5.343 1.00 0.00 H new ATOM 0 HZ PHE A 47 -13.835 5.673 5.757 1.00 0.00 H new ATOM 752 N ARG A 48 -14.639 9.753 -1.172 1.00 0.00 N ATOM 753 CA ARG A 48 -14.923 10.929 -1.997 1.00 0.00 C ATOM 754 C ARG A 48 -16.173 11.637 -1.527 1.00 0.00 C ATOM 755 O ARG A 48 -17.300 11.143 -1.678 1.00 0.00 O ATOM 756 CB ARG A 48 -15.047 10.495 -3.483 1.00 0.00 C ATOM 757 CG ARG A 48 -16.034 11.342 -4.329 1.00 0.00 C ATOM 758 CD ARG A 48 -15.790 11.204 -5.838 1.00 0.00 C ATOM 759 NE ARG A 48 -15.013 12.385 -6.295 1.00 0.00 N ATOM 760 CZ ARG A 48 -14.610 12.607 -7.539 1.00 0.00 C ATOM 761 NH1 ARG A 48 -14.897 11.842 -8.551 1.00 0.00 N ATOM 762 NH2 ARG A 48 -13.889 13.650 -7.752 1.00 0.00 N ATOM 0 H ARG A 48 -15.454 9.174 -0.969 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.100 11.638 -1.902 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -14.061 10.544 -3.944 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.364 9.453 -3.517 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -17.055 11.038 -4.101 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -15.943 12.390 -4.045 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -15.245 10.285 -6.052 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -16.738 11.144 -6.372 1.00 0.00 H new ATOM 0 HE ARG A 48 -14.769 13.084 -5.593 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -15.468 11.008 -8.414 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -14.551 12.076 -9.482 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -13.648 14.270 -6.979 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -13.558 13.858 -8.694 1.00 0.00 H new ATOM 776 N LYS A 49 -15.988 12.801 -0.933 1.00 0.00 N ATOM 777 CA LYS A 49 -17.091 13.543 -0.328 1.00 0.00 C ATOM 778 C LYS A 49 -17.623 12.815 0.883 1.00 0.00 C ATOM 779 O LYS A 49 -17.605 11.578 0.967 1.00 0.00 O ATOM 780 CB LYS A 49 -18.208 13.765 -1.385 1.00 0.00 C ATOM 781 CG LYS A 49 -18.566 15.256 -1.603 1.00 0.00 C ATOM 782 CD LYS A 49 -18.626 15.697 -3.069 1.00 0.00 C ATOM 783 CE LYS A 49 -19.644 16.835 -3.215 1.00 0.00 C ATOM 784 NZ LYS A 49 -20.912 16.295 -3.737 1.00 0.00 N ATOM 0 H LYS A 49 -15.080 13.260 -0.854 1.00 0.00 H new ATOM 0 HA LYS A 49 -16.729 14.515 0.007 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -17.890 13.334 -2.334 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -19.103 13.226 -1.074 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -19.532 15.454 -1.139 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -17.831 15.871 -1.084 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.642 16.029 -3.401 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -18.910 14.856 -3.702 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -19.810 17.315 -2.250 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -19.257 17.599 -3.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -21.603 17.066 -3.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -20.747 15.857 -4.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -21.283 15.581 -3.078 1.00 0.00 H new ATOM 798 N GLU A 50 -18.126 13.574 1.839 1.00 0.00 N ATOM 799 CA GLU A 50 -18.795 13.009 3.007 1.00 0.00 C ATOM 800 C GLU A 50 -20.279 12.843 2.775 1.00 0.00 C ATOM 801 O GLU A 50 -21.098 13.007 3.703 1.00 0.00 O ATOM 802 CB GLU A 50 -18.521 13.935 4.226 1.00 0.00 C ATOM 803 CG GLU A 50 -18.994 15.422 4.120 1.00 0.00 C ATOM 804 CD GLU A 50 -17.986 16.474 3.652 1.00 0.00 C ATOM 805 OE1 GLU A 50 -17.008 16.739 4.563 1.00 0.00 O ATOM 806 OE2 GLU A 50 -18.055 17.025 2.561 1.00 0.00 O ATOM 0 H GLU A 50 -18.085 14.593 1.833 1.00 0.00 H new ATOM 0 HA GLU A 50 -18.398 12.013 3.201 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -18.998 13.491 5.100 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -17.447 13.935 4.414 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -19.845 15.452 3.440 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -19.359 15.725 5.101 1.00 0.00 H new ATOM 813 N LYS A 51 -20.680 12.520 1.561 1.00 0.00 N ATOM 814 CA LYS A 51 -22.077 12.185 1.234 1.00 0.00 C ATOM 815 C LYS A 51 -22.290 10.728 0.823 1.00 0.00 C ATOM 816 O LYS A 51 -23.414 10.230 0.704 1.00 0.00 O ATOM 817 CB LYS A 51 -22.531 13.105 0.068 1.00 0.00 C ATOM 818 CG LYS A 51 -23.970 13.656 0.209 1.00 0.00 C ATOM 819 CD LYS A 51 -24.642 14.042 -1.114 1.00 0.00 C ATOM 820 CE LYS A 51 -25.953 14.785 -0.824 1.00 0.00 C ATOM 821 NZ LYS A 51 -26.333 15.584 -2.003 1.00 0.00 N ATOM 0 H LYS A 51 -20.051 12.479 0.759 1.00 0.00 H new ATOM 0 HA LYS A 51 -22.664 12.336 2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.840 13.944 -0.006 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -22.458 12.549 -0.867 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -24.584 12.906 0.707 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -23.947 14.531 0.858 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -23.976 14.674 -1.702 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -24.841 13.149 -1.707 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -26.742 14.073 -0.584 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -25.833 15.432 0.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -27.221 16.089 -1.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -25.582 16.273 -2.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -26.464 14.955 -2.821 1.00 0.00 H new ATOM 835 N GLU A 52 -21.173 10.051 0.635 1.00 0.00 N ATOM 836 CA GLU A 52 -21.154 8.686 0.124 1.00 0.00 C ATOM 837 C GLU A 52 -19.746 8.256 -0.217 1.00 0.00 C ATOM 838 O GLU A 52 -19.094 8.818 -1.110 1.00 0.00 O ATOM 839 CB GLU A 52 -22.081 8.611 -1.121 1.00 0.00 C ATOM 840 CG GLU A 52 -21.882 7.401 -2.093 1.00 0.00 C ATOM 841 CD GLU A 52 -23.009 7.063 -3.072 1.00 0.00 C ATOM 842 OE1 GLU A 52 -23.140 7.620 -4.154 1.00 0.00 O ATOM 843 OE2 GLU A 52 -23.849 6.089 -2.626 1.00 0.00 O ATOM 0 H GLU A 52 -20.247 10.431 0.832 1.00 0.00 H new ATOM 0 HA GLU A 52 -21.519 8.002 0.890 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -23.114 8.597 -0.772 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -21.951 9.529 -1.694 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -20.980 7.588 -2.676 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -21.692 6.515 -1.487 1.00 0.00 H new ATOM 850 N THR A 53 -19.252 7.249 0.479 1.00 0.00 N ATOM 851 CA THR A 53 -17.906 6.732 0.248 1.00 0.00 C ATOM 852 C THR A 53 -17.945 5.296 -0.223 1.00 0.00 C ATOM 853 O THR A 53 -18.999 4.643 -0.247 1.00 0.00 O ATOM 854 CB THR A 53 -17.037 6.864 1.544 1.00 0.00 C ATOM 855 OG1 THR A 53 -17.640 6.160 2.622 1.00 0.00 O ATOM 856 CG2 THR A 53 -16.829 8.296 2.086 1.00 0.00 C ATOM 0 H THR A 53 -19.764 6.766 1.217 1.00 0.00 H new ATOM 0 HA THR A 53 -17.447 7.330 -0.540 1.00 0.00 H new ATOM 0 HB THR A 53 -16.074 6.468 1.223 1.00 0.00 H new ATOM 0 HG1 THR A 53 -17.084 6.251 3.424 1.00 0.00 H new ATOM 0 HG21 THR A 53 -16.212 8.259 2.984 1.00 0.00 H new ATOM 0 HG22 THR A 53 -16.332 8.903 1.329 1.00 0.00 H new ATOM 0 HG23 THR A 53 -17.796 8.738 2.328 1.00 0.00 H new ATOM 864 N PHE A 54 -16.793 4.779 -0.606 1.00 0.00 N ATOM 865 CA PHE A 54 -16.688 3.452 -1.207 1.00 0.00 C ATOM 866 C PHE A 54 -15.760 2.568 -0.406 1.00 0.00 C ATOM 867 O PHE A 54 -14.527 2.628 -0.539 1.00 0.00 O ATOM 868 CB PHE A 54 -16.144 3.571 -2.663 1.00 0.00 C ATOM 869 CG PHE A 54 -15.980 2.275 -3.471 1.00 0.00 C ATOM 870 CD1 PHE A 54 -15.753 1.051 -2.839 1.00 0.00 C ATOM 871 CD2 PHE A 54 -16.070 2.322 -4.869 1.00 0.00 C ATOM 872 CE1 PHE A 54 -15.630 -0.114 -3.591 1.00 0.00 C ATOM 873 CE2 PHE A 54 -15.941 1.158 -5.620 1.00 0.00 C ATOM 874 CZ PHE A 54 -15.725 -0.060 -4.980 1.00 0.00 C ATOM 0 H PHE A 54 -15.900 5.263 -0.512 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.682 3.006 -1.215 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -16.812 4.230 -3.218 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -15.173 4.064 -2.619 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -15.673 1.008 -1.763 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -16.240 3.266 -5.365 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -15.461 -1.060 -3.098 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -16.008 1.199 -6.697 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.631 -0.965 -5.562 1.00 0.00 H new ATOM 884 N LYS A 55 -16.339 1.718 0.421 1.00 0.00 N ATOM 885 CA LYS A 55 -15.578 0.759 1.218 1.00 0.00 C ATOM 886 C LYS A 55 -16.455 -0.385 1.674 1.00 0.00 C ATOM 887 O LYS A 55 -16.404 -0.826 2.833 1.00 0.00 O ATOM 888 CB LYS A 55 -14.941 1.489 2.433 1.00 0.00 C ATOM 889 CG LYS A 55 -15.960 1.913 3.520 1.00 0.00 C ATOM 890 CD LYS A 55 -15.453 1.791 4.960 1.00 0.00 C ATOM 891 CE LYS A 55 -14.163 2.608 5.113 1.00 0.00 C ATOM 892 NZ LYS A 55 -13.319 2.002 6.157 1.00 0.00 N ATOM 0 H LYS A 55 -17.348 1.668 0.563 1.00 0.00 H new ATOM 0 HA LYS A 55 -14.786 0.335 0.601 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -14.194 0.836 2.885 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -14.416 2.375 2.077 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -16.253 2.947 3.339 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -16.858 1.304 3.413 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -16.210 2.151 5.656 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -15.266 0.745 5.205 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.624 2.637 4.166 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.402 3.639 5.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.445 2.555 6.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.835 1.996 7.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.081 1.026 5.888 1.00 0.00 H new ATOM 906 N GLU A 56 -17.256 -0.906 0.765 1.00 0.00 N ATOM 907 CA GLU A 56 -18.263 -1.910 1.100 1.00 0.00 C ATOM 908 C GLU A 56 -17.724 -3.318 1.003 1.00 0.00 C ATOM 909 O GLU A 56 -18.505 -4.283 0.830 1.00 0.00 O ATOM 910 CB GLU A 56 -19.475 -1.716 0.140 1.00 0.00 C ATOM 911 CG GLU A 56 -20.591 -0.711 0.577 1.00 0.00 C ATOM 912 CD GLU A 56 -20.996 -0.669 2.052 1.00 0.00 C ATOM 913 OE1 GLU A 56 -21.979 -1.555 2.376 1.00 0.00 O ATOM 914 OE2 GLU A 56 -20.483 0.092 2.863 1.00 0.00 O ATOM 0 H GLU A 56 -17.233 -0.651 -0.222 1.00 0.00 H new ATOM 0 HA GLU A 56 -18.569 -1.773 2.137 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -19.090 -1.391 -0.826 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -19.941 -2.689 -0.014 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -20.266 0.290 0.293 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -21.485 -0.933 -0.006 1.00 0.00 H new ATOM 921 N LYS A 57 -16.425 -3.511 1.125 1.00 0.00 N ATOM 922 CA LYS A 57 -15.835 -4.850 1.068 1.00 0.00 C ATOM 923 C LYS A 57 -14.415 -4.844 1.582 1.00 0.00 C ATOM 924 O LYS A 57 -13.584 -4.007 1.186 1.00 0.00 O ATOM 925 CB LYS A 57 -15.895 -5.373 -0.394 1.00 0.00 C ATOM 926 CG LYS A 57 -15.898 -6.918 -0.501 1.00 0.00 C ATOM 927 CD LYS A 57 -16.716 -7.483 -1.666 1.00 0.00 C ATOM 928 CE LYS A 57 -16.097 -7.024 -2.993 1.00 0.00 C ATOM 929 NZ LYS A 57 -16.813 -7.657 -4.114 1.00 0.00 N ATOM 0 H LYS A 57 -15.749 -2.760 1.265 1.00 0.00 H new ATOM 0 HA LYS A 57 -16.407 -5.517 1.712 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.792 -4.982 -0.874 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.041 -4.981 -0.947 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.869 -7.263 -0.598 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.286 -7.331 0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.734 -8.572 -1.618 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -17.750 -7.144 -1.597 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.155 -5.939 -3.077 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.041 -7.291 -3.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -16.394 -7.346 -5.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.736 -8.691 -4.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.815 -7.381 -4.086 1.00 0.00 H new ATOM 943 N ASP A 58 -14.092 -5.782 2.457 1.00 0.00 N ATOM 944 CA ASP A 58 -12.765 -5.829 3.066 1.00 0.00 C ATOM 945 C ASP A 58 -11.663 -6.085 2.059 1.00 0.00 C ATOM 946 O ASP A 58 -10.525 -5.622 2.218 1.00 0.00 O ATOM 947 CB ASP A 58 -12.690 -6.918 4.179 1.00 0.00 C ATOM 948 CG ASP A 58 -13.731 -6.900 5.296 1.00 0.00 C ATOM 949 OD1 ASP A 58 -14.860 -6.440 5.159 1.00 0.00 O ATOM 950 OD2 ASP A 58 -13.268 -7.426 6.473 1.00 0.00 O ATOM 0 H ASP A 58 -14.725 -6.521 2.763 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.608 -4.842 3.501 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.745 -7.892 3.692 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.706 -6.848 4.643 1.00 0.00 H new ATOM 955 N THR A 59 -11.998 -6.860 1.042 1.00 0.00 N ATOM 956 CA THR A 59 -10.971 -7.365 0.134 1.00 0.00 C ATOM 957 C THR A 59 -10.175 -6.228 -0.469 1.00 0.00 C ATOM 958 O THR A 59 -9.138 -6.464 -1.124 1.00 0.00 O ATOM 959 CB THR A 59 -11.539 -8.243 -1.040 1.00 0.00 C ATOM 960 OG1 THR A 59 -12.343 -9.309 -0.560 1.00 0.00 O ATOM 961 CG2 THR A 59 -10.482 -8.937 -1.931 1.00 0.00 C ATOM 0 H THR A 59 -12.951 -7.151 0.823 1.00 0.00 H new ATOM 0 HA THR A 59 -10.336 -8.000 0.752 1.00 0.00 H new ATOM 0 HB THR A 59 -12.088 -7.506 -1.625 1.00 0.00 H new ATOM 0 HG1 THR A 59 -12.680 -9.832 -1.318 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.983 -9.515 -2.707 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.845 -8.183 -2.394 1.00 0.00 H new ATOM 0 HG23 THR A 59 -9.872 -9.602 -1.320 1.00 0.00 H new ATOM 969 N TYR A 60 -10.646 -5.002 -0.354 1.00 0.00 N ATOM 970 CA TYR A 60 -9.855 -3.843 -0.771 1.00 0.00 C ATOM 971 C TYR A 60 -10.186 -2.640 0.080 1.00 0.00 C ATOM 972 O TYR A 60 -11.043 -1.808 -0.298 1.00 0.00 O ATOM 973 CB TYR A 60 -10.146 -3.472 -2.253 1.00 0.00 C ATOM 974 CG TYR A 60 -9.563 -4.402 -3.325 1.00 0.00 C ATOM 975 CD1 TYR A 60 -8.197 -4.699 -3.316 1.00 0.00 C ATOM 976 CD2 TYR A 60 -10.384 -4.961 -4.309 1.00 0.00 C ATOM 977 CE1 TYR A 60 -7.662 -5.562 -4.267 1.00 0.00 C ATOM 978 CE2 TYR A 60 -9.846 -5.827 -5.258 1.00 0.00 C ATOM 979 CZ TYR A 60 -8.486 -6.124 -5.238 1.00 0.00 C ATOM 980 OH TYR A 60 -7.961 -6.968 -6.175 1.00 0.00 O ATOM 0 H TYR A 60 -11.567 -4.775 0.022 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.805 -4.113 -0.655 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -11.227 -3.433 -2.388 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.766 -2.466 -2.433 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.555 -4.257 -2.568 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -11.437 -4.721 -4.333 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.608 -5.796 -4.252 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -10.484 -6.268 -6.010 1.00 0.00 H new ATOM 0 HH TYR A 60 -8.672 -7.272 -6.777 1.00 0.00 H new ATOM 990 N LYS A 61 -9.570 -2.496 1.238 1.00 0.00 N ATOM 991 CA LYS A 61 -9.938 -1.456 2.203 1.00 0.00 C ATOM 992 C LYS A 61 -8.826 -0.454 2.416 1.00 0.00 C ATOM 993 O LYS A 61 -7.637 -0.756 2.242 1.00 0.00 O ATOM 994 CB LYS A 61 -10.334 -2.134 3.545 1.00 0.00 C ATOM 995 CG LYS A 61 -9.749 -1.446 4.804 1.00 0.00 C ATOM 996 CD LYS A 61 -9.957 -2.215 6.112 1.00 0.00 C ATOM 997 CE LYS A 61 -9.808 -1.252 7.298 1.00 0.00 C ATOM 998 NZ LYS A 61 -10.997 -1.349 8.164 1.00 0.00 N ATOM 0 H LYS A 61 -8.800 -3.092 1.544 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.784 -0.898 1.803 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.421 -2.148 3.625 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.003 -3.172 3.526 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.680 -1.294 4.654 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.200 -0.459 4.904 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.946 -2.674 6.124 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.230 -3.023 6.192 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.910 -1.495 7.867 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.690 -0.230 6.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.896 -0.696 8.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.846 -1.097 7.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.090 -2.322 8.518 1.00 0.00 H new ATOM 1012 N LEU A 62 -9.183 0.755 2.821 1.00 0.00 N ATOM 1013 CA LEU A 62 -8.226 1.815 3.122 1.00 0.00 C ATOM 1014 C LEU A 62 -7.871 1.829 4.591 1.00 0.00 C ATOM 1015 O LEU A 62 -8.411 1.061 5.402 1.00 0.00 O ATOM 1016 CB LEU A 62 -8.785 3.206 2.692 1.00 0.00 C ATOM 1017 CG LEU A 62 -8.668 3.598 1.195 1.00 0.00 C ATOM 1018 CD1 LEU A 62 -9.224 2.467 0.318 1.00 0.00 C ATOM 1019 CD2 LEU A 62 -9.382 4.916 0.852 1.00 0.00 C ATOM 0 H LEU A 62 -10.155 1.033 2.952 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.319 1.612 2.552 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.839 3.244 2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.274 3.969 3.280 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.608 3.753 0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.140 2.746 -0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.656 1.554 0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.272 2.296 0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.260 5.130 -0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.443 4.826 1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.949 5.727 1.438 1.00 0.00 H new ATOM 1031 N PHE A 63 -6.973 2.720 4.969 1.00 0.00 N ATOM 1032 CA PHE A 63 -6.640 2.968 6.370 1.00 0.00 C ATOM 1033 C PHE A 63 -6.473 4.448 6.633 1.00 0.00 C ATOM 1034 O PHE A 63 -6.528 5.290 5.719 1.00 0.00 O ATOM 1035 CB PHE A 63 -5.315 2.242 6.757 1.00 0.00 C ATOM 1036 CG PHE A 63 -5.350 0.706 6.783 1.00 0.00 C ATOM 1037 CD1 PHE A 63 -5.740 0.005 5.636 1.00 0.00 C ATOM 1038 CD2 PHE A 63 -4.957 -0.002 7.922 1.00 0.00 C ATOM 1039 CE1 PHE A 63 -5.795 -1.384 5.648 1.00 0.00 C ATOM 1040 CE2 PHE A 63 -5.007 -1.394 7.931 1.00 0.00 C ATOM 1041 CZ PHE A 63 -5.441 -2.083 6.800 1.00 0.00 C ATOM 0 H PHE A 63 -6.448 3.298 4.313 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.462 2.582 6.973 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.540 2.553 6.056 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.011 2.592 7.744 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.999 0.546 4.738 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.614 0.531 8.797 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.112 -1.920 4.766 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -4.709 -1.939 8.814 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.503 -3.161 6.817 1.00 0.00 H new ATOM 1051 N LYS A 64 -6.279 4.807 7.889 1.00 0.00 N ATOM 1052 CA LYS A 64 -6.113 6.209 8.271 1.00 0.00 C ATOM 1053 C LYS A 64 -4.860 6.792 7.659 1.00 0.00 C ATOM 1054 O LYS A 64 -4.822 7.957 7.234 1.00 0.00 O ATOM 1055 CB LYS A 64 -6.077 6.332 9.819 1.00 0.00 C ATOM 1056 CG LYS A 64 -7.076 5.403 10.552 1.00 0.00 C ATOM 1057 CD LYS A 64 -8.486 5.371 9.957 1.00 0.00 C ATOM 1058 CE LYS A 64 -9.408 4.570 10.887 1.00 0.00 C ATOM 1059 NZ LYS A 64 -8.800 3.256 11.165 1.00 0.00 N ATOM 0 H LYS A 64 -6.232 4.150 8.668 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.962 6.777 7.891 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.068 6.109 10.167 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.289 7.365 10.095 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.674 4.390 10.551 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.144 5.718 11.593 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.865 6.386 9.835 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.465 4.917 8.966 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.566 5.114 11.818 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.386 4.440 10.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.531 2.601 11.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.379 2.877 10.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.060 3.362 11.888 1.00 0.00 H new ATOM 1073 N ASN A 65 -3.805 6.000 7.622 1.00 0.00 N ATOM 1074 CA ASN A 65 -2.501 6.465 7.155 1.00 0.00 C ATOM 1075 C ASN A 65 -2.335 6.279 5.664 1.00 0.00 C ATOM 1076 O ASN A 65 -1.194 6.266 5.148 1.00 0.00 O ATOM 1077 CB ASN A 65 -1.381 5.697 7.923 1.00 0.00 C ATOM 1078 CG ASN A 65 -1.366 4.172 7.753 1.00 0.00 C ATOM 1079 OD1 ASN A 65 -1.614 3.640 6.682 1.00 0.00 O ATOM 1080 ND2 ASN A 65 -1.098 3.398 8.824 1.00 0.00 N ATOM 0 H ASN A 65 -3.821 5.022 7.911 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.427 7.534 7.355 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.416 6.087 7.601 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.478 5.922 8.985 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.104 2.382 8.733 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.889 3.828 9.725 1.00 0.00 H new ATOM 1086 N GLY A 66 -3.415 6.126 4.922 1.00 0.00 N ATOM 1087 CA GLY A 66 -3.349 6.057 3.464 1.00 0.00 C ATOM 1088 C GLY A 66 -2.880 4.711 2.966 1.00 0.00 C ATOM 1089 O GLY A 66 -2.462 4.576 1.795 1.00 0.00 O ATOM 0 H GLY A 66 -4.358 6.046 5.303 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.334 6.270 3.049 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.674 6.831 3.098 1.00 0.00 H new ATOM 1093 N THR A 67 -2.944 3.681 3.788 1.00 0.00 N ATOM 1094 CA THR A 67 -2.581 2.329 3.361 1.00 0.00 C ATOM 1095 C THR A 67 -3.770 1.606 2.776 1.00 0.00 C ATOM 1096 O THR A 67 -4.934 1.977 2.995 1.00 0.00 O ATOM 1097 CB THR A 67 -1.978 1.523 4.561 1.00 0.00 C ATOM 1098 OG1 THR A 67 -0.577 1.750 4.658 1.00 0.00 O ATOM 1099 CG2 THR A 67 -2.118 -0.013 4.495 1.00 0.00 C ATOM 0 H THR A 67 -3.244 3.748 4.760 1.00 0.00 H new ATOM 0 HA THR A 67 -1.824 2.410 2.581 1.00 0.00 H new ATOM 0 HB THR A 67 -2.560 1.889 5.407 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.403 2.435 5.337 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.663 -0.458 5.380 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.174 -0.281 4.456 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.616 -0.386 3.602 1.00 0.00 H new ATOM 1107 N LEU A 68 -3.502 0.548 2.034 1.00 0.00 N ATOM 1108 CA LEU A 68 -4.559 -0.314 1.510 1.00 0.00 C ATOM 1109 C LEU A 68 -4.307 -1.760 1.865 1.00 0.00 C ATOM 1110 O LEU A 68 -3.159 -2.212 1.992 1.00 0.00 O ATOM 1111 CB LEU A 68 -4.700 -0.136 -0.028 1.00 0.00 C ATOM 1112 CG LEU A 68 -5.862 -0.863 -0.758 1.00 0.00 C ATOM 1113 CD1 LEU A 68 -6.338 -0.110 -2.013 1.00 0.00 C ATOM 1114 CD2 LEU A 68 -5.432 -2.285 -1.142 1.00 0.00 C ATOM 0 H LEU A 68 -2.558 0.259 1.776 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.499 -0.017 1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.798 0.931 -0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.766 -0.462 -0.486 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.701 -0.899 -0.063 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.151 -0.663 -2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.690 0.882 -1.730 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.510 -0.014 -2.716 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.253 -2.788 -1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.567 -2.237 -1.804 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.170 -2.841 -0.242 1.00 0.00 H new ATOM 1126 N LYS A 69 -5.374 -2.517 2.044 1.00 0.00 N ATOM 1127 CA LYS A 69 -5.265 -3.913 2.461 1.00 0.00 C ATOM 1128 C LYS A 69 -6.160 -4.796 1.626 1.00 0.00 C ATOM 1129 O LYS A 69 -7.332 -4.475 1.366 1.00 0.00 O ATOM 1130 CB LYS A 69 -5.616 -4.029 3.970 1.00 0.00 C ATOM 1131 CG LYS A 69 -5.199 -5.379 4.605 1.00 0.00 C ATOM 1132 CD LYS A 69 -6.319 -6.114 5.348 1.00 0.00 C ATOM 1133 CE LYS A 69 -5.739 -6.798 6.593 1.00 0.00 C ATOM 1134 NZ LYS A 69 -5.864 -5.896 7.752 1.00 0.00 N ATOM 0 H LYS A 69 -6.331 -2.192 1.908 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.240 -4.252 2.309 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.129 -3.218 4.511 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.691 -3.895 4.095 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.815 -6.030 3.820 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.379 -5.199 5.300 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.101 -5.412 5.636 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.780 -6.854 4.694 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.266 -7.732 6.787 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.692 -7.052 6.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.471 -6.359 8.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.342 -5.016 7.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.867 -5.675 7.914 1.00 0.00 H new ATOM 1148 N ILE A 70 -5.638 -5.933 1.208 1.00 0.00 N ATOM 1149 CA ILE A 70 -6.350 -6.820 0.286 1.00 0.00 C ATOM 1150 C ILE A 70 -6.419 -8.220 0.848 1.00 0.00 C ATOM 1151 O ILE A 70 -5.393 -8.876 1.082 1.00 0.00 O ATOM 1152 CB ILE A 70 -5.720 -6.805 -1.166 1.00 0.00 C ATOM 1153 CG1 ILE A 70 -5.231 -5.405 -1.661 1.00 0.00 C ATOM 1154 CG2 ILE A 70 -6.684 -7.388 -2.246 1.00 0.00 C ATOM 1155 CD1 ILE A 70 -3.833 -5.374 -2.313 1.00 0.00 C ATOM 0 H ILE A 70 -4.718 -6.272 1.490 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.367 -6.442 0.183 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.844 -7.444 -1.052 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.955 -5.022 -2.380 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.231 -4.720 -0.813 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.200 -7.353 -3.222 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.926 -8.421 -1.998 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.600 -6.797 -2.273 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.596 -4.355 -2.618 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.089 -5.720 -1.595 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.825 -6.026 -3.187 1.00 0.00 H new ATOM 1167 N LYS A 71 -7.629 -8.695 1.095 1.00 0.00 N ATOM 1168 CA LYS A 71 -7.805 -9.977 1.783 1.00 0.00 C ATOM 1169 C LYS A 71 -7.796 -11.170 0.848 1.00 0.00 C ATOM 1170 O LYS A 71 -8.483 -11.214 -0.181 1.00 0.00 O ATOM 1171 CB LYS A 71 -9.134 -9.935 2.590 1.00 0.00 C ATOM 1172 CG LYS A 71 -9.067 -9.034 3.848 1.00 0.00 C ATOM 1173 CD LYS A 71 -10.013 -9.441 4.982 1.00 0.00 C ATOM 1174 CE LYS A 71 -9.194 -10.044 6.131 1.00 0.00 C ATOM 1175 NZ LYS A 71 -8.960 -11.475 5.868 1.00 0.00 N ATOM 0 H LYS A 71 -8.497 -8.225 0.836 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.952 -10.111 2.448 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.933 -9.578 1.940 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.398 -10.948 2.893 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.045 -9.039 4.227 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.293 -8.009 3.556 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.572 -8.574 5.334 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.743 -10.165 4.620 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.243 -9.521 6.228 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.724 -9.919 7.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.405 -11.885 6.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.873 -11.969 5.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.437 -11.583 4.976 1.00 0.00 H new ATOM 1189 N HIS A 72 -7.025 -12.178 1.220 1.00 0.00 N ATOM 1190 CA HIS A 72 -7.010 -13.475 0.548 1.00 0.00 C ATOM 1191 C HIS A 72 -6.729 -13.353 -0.931 1.00 0.00 C ATOM 1192 O HIS A 72 -7.658 -13.195 -1.751 1.00 0.00 O ATOM 1193 CB HIS A 72 -8.411 -14.077 0.772 1.00 0.00 C ATOM 1194 CG HIS A 72 -8.588 -15.399 0.084 1.00 0.00 C ATOM 1195 ND1 HIS A 72 -9.038 -15.584 -1.221 1.00 0.00 N ATOM 1196 CD2 HIS A 72 -8.316 -16.610 0.705 1.00 0.00 C ATOM 1197 CE1 HIS A 72 -9.006 -16.929 -1.286 1.00 0.00 C ATOM 1198 NE2 HIS A 72 -8.589 -17.614 -0.187 1.00 0.00 N ATOM 0 H HIS A 72 -6.381 -12.122 2.009 1.00 0.00 H new ATOM 0 HA HIS A 72 -6.215 -14.101 0.953 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.582 -14.202 1.841 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.165 -13.379 0.409 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -9.313 -14.899 -1.925 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -7.953 -16.739 1.714 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -9.303 -17.449 -2.185 1.00 0.00 H new ATOM 1207 N LEU A 73 -5.477 -13.455 -1.332 1.00 0.00 N ATOM 1208 CA LEU A 73 -5.095 -13.203 -2.726 1.00 0.00 C ATOM 1209 C LEU A 73 -4.023 -14.114 -3.290 1.00 0.00 C ATOM 1210 O LEU A 73 -2.882 -14.228 -2.823 1.00 0.00 O ATOM 1211 CB LEU A 73 -4.645 -11.718 -2.855 1.00 0.00 C ATOM 1212 CG LEU A 73 -3.363 -11.205 -3.561 1.00 0.00 C ATOM 1213 CD1 LEU A 73 -2.737 -12.133 -4.613 1.00 0.00 C ATOM 1214 CD2 LEU A 73 -3.652 -9.831 -4.216 1.00 0.00 C ATOM 0 H LEU A 73 -4.701 -13.710 -0.721 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.981 -13.421 -3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.473 -11.202 -3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.589 -11.339 -1.834 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.622 -11.146 -2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.849 -11.661 -5.032 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.459 -13.078 -4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.458 -12.320 -5.409 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.752 -9.468 -4.713 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.453 -9.938 -4.948 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.955 -9.119 -3.449 1.00 0.00 H new ATOM 1226 N LYS A 74 -4.358 -14.753 -4.412 1.00 0.00 N ATOM 1227 CA LYS A 74 -3.451 -15.553 -5.226 1.00 0.00 C ATOM 1228 C LYS A 74 -3.207 -14.904 -6.573 1.00 0.00 C ATOM 1229 O LYS A 74 -3.433 -13.699 -6.757 1.00 0.00 O ATOM 1230 CB LYS A 74 -4.041 -16.980 -5.403 1.00 0.00 C ATOM 1231 CG LYS A 74 -5.441 -17.156 -4.760 1.00 0.00 C ATOM 1232 CD LYS A 74 -5.886 -18.612 -4.589 1.00 0.00 C ATOM 1233 CE LYS A 74 -6.999 -18.924 -5.599 1.00 0.00 C ATOM 1234 NZ LYS A 74 -7.723 -20.134 -5.170 1.00 0.00 N ATOM 0 H LYS A 74 -5.305 -14.724 -4.790 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.489 -15.621 -4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.108 -17.207 -6.467 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.355 -17.705 -4.965 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.441 -16.673 -3.783 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.176 -16.635 -5.373 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.041 -19.283 -4.743 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.244 -18.778 -3.573 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.687 -18.081 -5.671 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.574 -19.074 -6.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.478 -20.347 -5.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.062 -20.936 -5.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.141 -19.974 -4.231 1.00 0.00 H new ATOM 1248 N THR A 75 -2.716 -15.676 -7.523 1.00 0.00 N ATOM 1249 CA THR A 75 -2.480 -15.180 -8.882 1.00 0.00 C ATOM 1250 C THR A 75 -3.648 -14.381 -9.427 1.00 0.00 C ATOM 1251 O THR A 75 -3.496 -13.462 -10.244 1.00 0.00 O ATOM 1252 CB THR A 75 -2.150 -16.373 -9.843 1.00 0.00 C ATOM 1253 OG1 THR A 75 -0.886 -16.938 -9.520 1.00 0.00 O ATOM 1254 CG2 THR A 75 -2.049 -16.034 -11.346 1.00 0.00 C ATOM 0 H THR A 75 -2.469 -16.656 -7.386 1.00 0.00 H new ATOM 0 HA THR A 75 -1.628 -14.503 -8.828 1.00 0.00 H new ATOM 0 HB THR A 75 -2.999 -17.039 -9.691 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.696 -17.683 -10.128 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.817 -16.939 -11.908 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.999 -15.626 -11.691 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.260 -15.298 -11.501 1.00 0.00 H new ATOM 1262 N ASP A 76 -4.832 -14.721 -8.952 1.00 0.00 N ATOM 1263 CA ASP A 76 -6.069 -14.106 -9.424 1.00 0.00 C ATOM 1264 C ASP A 76 -6.315 -12.776 -8.750 1.00 0.00 C ATOM 1265 O ASP A 76 -6.786 -11.809 -9.367 1.00 0.00 O ATOM 1266 CB ASP A 76 -7.259 -15.082 -9.229 1.00 0.00 C ATOM 1267 CG ASP A 76 -8.641 -14.590 -9.684 1.00 0.00 C ATOM 1268 OD1 ASP A 76 -9.061 -14.742 -10.821 1.00 0.00 O ATOM 1269 OD2 ASP A 76 -9.348 -13.994 -8.677 1.00 0.00 O ATOM 0 H ASP A 76 -4.968 -15.429 -8.230 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.971 -13.903 -10.490 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.033 -16.004 -9.765 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.320 -15.335 -8.171 1.00 0.00 H new ATOM 1274 N ASP A 77 -6.021 -12.707 -7.465 1.00 0.00 N ATOM 1275 CA ASP A 77 -6.167 -11.472 -6.697 1.00 0.00 C ATOM 1276 C ASP A 77 -5.008 -10.526 -6.907 1.00 0.00 C ATOM 1277 O ASP A 77 -5.084 -9.335 -6.522 1.00 0.00 O ATOM 1278 CB ASP A 77 -6.366 -11.809 -5.193 1.00 0.00 C ATOM 1279 CG ASP A 77 -7.754 -12.335 -4.800 1.00 0.00 C ATOM 1280 OD1 ASP A 77 -8.728 -11.374 -4.917 1.00 0.00 O ATOM 1281 OD2 ASP A 77 -7.979 -13.484 -4.449 1.00 0.00 O ATOM 0 H ASP A 77 -5.676 -13.498 -6.921 1.00 0.00 H new ATOM 0 HA ASP A 77 -7.052 -10.950 -7.060 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.623 -12.553 -4.906 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.161 -10.912 -4.610 1.00 0.00 H new ATOM 1286 N GLN A 78 -3.933 -10.966 -7.530 1.00 0.00 N ATOM 1287 CA GLN A 78 -2.712 -10.164 -7.624 1.00 0.00 C ATOM 1288 C GLN A 78 -2.784 -9.206 -8.788 1.00 0.00 C ATOM 1289 O GLN A 78 -2.753 -9.598 -9.963 1.00 0.00 O ATOM 1290 CB GLN A 78 -1.504 -11.117 -7.756 1.00 0.00 C ATOM 1291 CG GLN A 78 -0.231 -10.533 -8.454 1.00 0.00 C ATOM 1292 CD GLN A 78 0.031 -10.866 -9.928 1.00 0.00 C ATOM 1293 OE1 GLN A 78 0.103 -9.985 -10.770 1.00 0.00 O ATOM 1294 NE2 GLN A 78 0.168 -12.112 -10.302 1.00 0.00 N ATOM 0 H GLN A 78 -3.872 -11.878 -7.983 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.599 -9.561 -6.723 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -1.223 -11.453 -6.758 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.824 -11.999 -8.311 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -0.277 -9.448 -8.366 1.00 0.00 H new ATOM 0 HG3 GLN A 78 0.637 -10.863 -7.883 1.00 0.00 H new ATOM 0 HE21 GLN A 78 0.111 -12.861 -9.612 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.332 -12.335 -11.284 1.00 0.00 H new ATOM 1303 N ASP A 79 -2.860 -7.922 -8.483 1.00 0.00 N ATOM 1304 CA ASP A 79 -3.078 -6.905 -9.508 1.00 0.00 C ATOM 1305 C ASP A 79 -2.214 -5.685 -9.280 1.00 0.00 C ATOM 1306 O ASP A 79 -1.644 -5.461 -8.203 1.00 0.00 O ATOM 1307 CB ASP A 79 -4.584 -6.535 -9.576 1.00 0.00 C ATOM 1308 CG ASP A 79 -5.581 -7.693 -9.422 1.00 0.00 C ATOM 1309 OD1 ASP A 79 -5.443 -8.643 -10.396 1.00 0.00 O ATOM 1310 OD2 ASP A 79 -6.392 -7.759 -8.510 1.00 0.00 O ATOM 0 H ASP A 79 -2.775 -7.555 -7.535 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.781 -7.320 -10.471 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.791 -5.801 -8.797 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.773 -6.047 -10.532 1.00 0.00 H new ATOM 1315 N ILE A 80 -2.126 -4.857 -10.307 1.00 0.00 N ATOM 1316 CA ILE A 80 -1.414 -3.585 -10.237 1.00 0.00 C ATOM 1317 C ILE A 80 -2.323 -2.491 -9.720 1.00 0.00 C ATOM 1318 O ILE A 80 -3.516 -2.417 -10.050 1.00 0.00 O ATOM 1319 CB ILE A 80 -0.755 -3.230 -11.634 1.00 0.00 C ATOM 1320 CG1 ILE A 80 0.017 -4.409 -12.315 1.00 0.00 C ATOM 1321 CG2 ILE A 80 0.211 -2.008 -11.554 1.00 0.00 C ATOM 1322 CD1 ILE A 80 0.068 -4.370 -13.857 1.00 0.00 C ATOM 0 H ILE A 80 -2.546 -5.045 -11.217 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.596 -3.677 -9.522 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.620 -2.989 -12.252 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.039 -4.418 -11.936 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.445 -5.347 -12.008 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.632 -1.812 -12.540 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.339 -1.131 -11.213 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.016 -2.226 -10.852 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.626 -5.231 -14.224 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.946 -4.397 -14.255 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.561 -3.453 -14.182 1.00 0.00 H new ATOM 1334 N TYR A 81 -1.781 -1.631 -8.878 1.00 0.00 N ATOM 1335 CA TYR A 81 -2.541 -0.609 -8.164 1.00 0.00 C ATOM 1336 C TYR A 81 -1.835 0.724 -8.214 1.00 0.00 C ATOM 1337 O TYR A 81 -0.642 0.823 -8.533 1.00 0.00 O ATOM 1338 CB TYR A 81 -2.714 -1.002 -6.666 1.00 0.00 C ATOM 1339 CG TYR A 81 -3.357 -2.370 -6.405 1.00 0.00 C ATOM 1340 CD1 TYR A 81 -4.476 -2.801 -7.126 1.00 0.00 C ATOM 1341 CD2 TYR A 81 -2.806 -3.200 -5.424 1.00 0.00 C ATOM 1342 CE1 TYR A 81 -5.087 -4.011 -6.802 1.00 0.00 C ATOM 1343 CE2 TYR A 81 -3.428 -4.399 -5.092 1.00 0.00 C ATOM 1344 CZ TYR A 81 -4.567 -4.803 -5.783 1.00 0.00 C ATOM 1345 OH TYR A 81 -5.175 -5.985 -5.463 1.00 0.00 O ATOM 0 H TYR A 81 -0.784 -1.619 -8.664 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.513 -0.533 -8.651 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.734 -0.986 -6.190 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.319 -0.238 -6.177 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -4.866 -2.197 -7.932 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.895 -2.909 -4.923 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -5.965 -4.334 -7.342 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -3.028 -5.015 -4.300 1.00 0.00 H new ATOM 0 HH TYR A 81 -6.120 -5.947 -5.721 1.00 0.00 H new ATOM 1355 N LYS A 82 -2.578 1.778 -7.926 1.00 0.00 N ATOM 1356 CA LYS A 82 -1.996 3.112 -7.801 1.00 0.00 C ATOM 1357 C LYS A 82 -2.820 3.972 -6.874 1.00 0.00 C ATOM 1358 O LYS A 82 -4.053 4.056 -6.981 1.00 0.00 O ATOM 1359 CB LYS A 82 -1.882 3.760 -9.207 1.00 0.00 C ATOM 1360 CG LYS A 82 -1.329 5.207 -9.179 1.00 0.00 C ATOM 1361 CD LYS A 82 -2.029 6.179 -10.133 1.00 0.00 C ATOM 1362 CE LYS A 82 -2.389 5.442 -11.430 1.00 0.00 C ATOM 1363 NZ LYS A 82 -2.360 6.390 -12.557 1.00 0.00 N ATOM 0 H LYS A 82 -3.586 1.741 -7.773 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.999 3.027 -7.369 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -1.234 3.144 -9.830 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -2.866 3.765 -9.677 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.412 5.593 -8.163 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.267 5.180 -9.424 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.929 6.580 -9.667 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.378 7.026 -10.351 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.685 4.629 -11.606 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.379 4.993 -11.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.604 5.891 -13.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.048 7.151 -12.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.407 6.798 -12.643 1.00 0.00 H new ATOM 1377 N VAL A 83 -2.156 4.612 -5.927 1.00 0.00 N ATOM 1378 CA VAL A 83 -2.855 5.370 -4.891 1.00 0.00 C ATOM 1379 C VAL A 83 -2.838 6.850 -5.199 1.00 0.00 C ATOM 1380 O VAL A 83 -1.788 7.493 -5.330 1.00 0.00 O ATOM 1381 CB VAL A 83 -2.214 5.086 -3.475 1.00 0.00 C ATOM 1382 CG1 VAL A 83 -0.720 5.474 -3.300 1.00 0.00 C ATOM 1383 CG2 VAL A 83 -2.954 5.776 -2.303 1.00 0.00 C ATOM 0 H VAL A 83 -1.139 4.625 -5.850 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.895 5.044 -4.872 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.311 4.001 -3.442 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.397 5.231 -2.288 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.114 4.921 -4.017 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.599 6.544 -3.472 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.455 5.534 -1.365 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.943 6.856 -2.451 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.985 5.425 -2.267 1.00 0.00 H new ATOM 1393 N SER A 84 -4.024 7.421 -5.308 1.00 0.00 N ATOM 1394 CA SER A 84 -4.212 8.860 -5.466 1.00 0.00 C ATOM 1395 C SER A 84 -5.030 9.408 -4.319 1.00 0.00 C ATOM 1396 O SER A 84 -6.212 9.060 -4.149 1.00 0.00 O ATOM 1397 CB SER A 84 -4.853 9.186 -6.838 1.00 0.00 C ATOM 1398 OG SER A 84 -6.008 8.386 -7.116 1.00 0.00 O ATOM 0 H SER A 84 -4.898 6.895 -5.290 1.00 0.00 H new ATOM 0 HA SER A 84 -3.237 9.347 -5.444 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.132 10.239 -6.862 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.114 9.034 -7.624 1.00 0.00 H new ATOM 0 HG SER A 84 -6.769 8.969 -7.317 1.00 0.00 H new ATOM 1404 N ILE A 85 -4.426 10.249 -3.502 1.00 0.00 N ATOM 1405 CA ILE A 85 -5.078 10.708 -2.270 1.00 0.00 C ATOM 1406 C ILE A 85 -5.109 12.220 -2.238 1.00 0.00 C ATOM 1407 O ILE A 85 -4.046 12.881 -2.231 1.00 0.00 O ATOM 1408 CB ILE A 85 -4.407 10.046 -0.998 1.00 0.00 C ATOM 1409 CG1 ILE A 85 -3.782 8.626 -1.253 1.00 0.00 C ATOM 1410 CG2 ILE A 85 -5.382 9.956 0.219 1.00 0.00 C ATOM 1411 CD1 ILE A 85 -2.290 8.613 -1.642 1.00 0.00 C ATOM 0 H ILE A 85 -3.493 10.631 -3.658 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.117 10.379 -2.252 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.590 10.728 -0.764 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.909 8.026 -0.352 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.349 8.136 -2.044 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.869 9.494 1.063 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.710 10.958 0.498 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.249 9.353 -0.053 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.963 7.585 -1.794 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.149 9.179 -2.563 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.702 9.067 -0.844 1.00 0.00 H new ATOM 1423 N TYR A 86 -6.278 12.828 -2.220 1.00 0.00 N ATOM 1424 CA TYR A 86 -6.454 14.260 -2.454 1.00 0.00 C ATOM 1425 C TYR A 86 -6.917 14.982 -1.212 1.00 0.00 C ATOM 1426 O TYR A 86 -7.294 14.370 -0.200 1.00 0.00 O ATOM 1427 CB TYR A 86 -7.516 14.478 -3.577 1.00 0.00 C ATOM 1428 CG TYR A 86 -7.569 13.397 -4.666 1.00 0.00 C ATOM 1429 CD1 TYR A 86 -8.289 12.221 -4.436 1.00 0.00 C ATOM 1430 CD2 TYR A 86 -6.899 13.570 -5.880 1.00 0.00 C ATOM 1431 CE1 TYR A 86 -8.359 11.239 -5.419 1.00 0.00 C ATOM 1432 CE2 TYR A 86 -6.967 12.583 -6.861 1.00 0.00 C ATOM 1433 CZ TYR A 86 -7.701 11.423 -6.632 1.00 0.00 C ATOM 1434 OH TYR A 86 -7.771 10.460 -7.600 1.00 0.00 O ATOM 0 H TYR A 86 -7.154 12.337 -2.039 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.485 14.664 -2.748 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.500 14.547 -3.112 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -7.321 15.438 -4.054 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.793 12.074 -3.492 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -6.328 14.469 -6.058 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.923 10.335 -5.241 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -6.450 12.718 -7.799 1.00 0.00 H new ATOM 0 HH TYR A 86 -7.257 10.746 -8.384 1.00 0.00 H new ATOM 1444 N ASP A 87 -6.921 16.302 -1.267 1.00 0.00 N ATOM 1445 CA ASP A 87 -7.421 17.121 -0.164 1.00 0.00 C ATOM 1446 C ASP A 87 -8.922 17.291 -0.254 1.00 0.00 C ATOM 1447 O ASP A 87 -9.611 16.621 -1.037 1.00 0.00 O ATOM 1448 CB ASP A 87 -6.667 18.479 -0.119 1.00 0.00 C ATOM 1449 CG ASP A 87 -6.495 19.234 -1.447 1.00 0.00 C ATOM 1450 OD1 ASP A 87 -7.383 19.332 -2.279 1.00 0.00 O ATOM 1451 OD2 ASP A 87 -5.258 19.803 -1.574 1.00 0.00 O ATOM 0 H ASP A 87 -6.583 16.837 -2.067 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.223 16.610 0.778 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.193 19.134 0.576 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.676 18.301 0.299 1.00 0.00 H new ATOM 1456 N THR A 88 -9.463 18.168 0.573 1.00 0.00 N ATOM 1457 CA THR A 88 -10.889 18.489 0.557 1.00 0.00 C ATOM 1458 C THR A 88 -11.346 19.006 -0.788 1.00 0.00 C ATOM 1459 O THR A 88 -12.537 18.874 -1.149 1.00 0.00 O ATOM 1460 CB THR A 88 -11.229 19.532 1.678 1.00 0.00 C ATOM 1461 OG1 THR A 88 -11.158 20.855 1.161 1.00 0.00 O ATOM 1462 CG2 THR A 88 -10.295 19.547 2.907 1.00 0.00 C ATOM 0 H THR A 88 -8.931 18.680 1.276 1.00 0.00 H new ATOM 0 HA THR A 88 -11.427 17.561 0.750 1.00 0.00 H new ATOM 0 HB THR A 88 -12.222 19.219 1.999 1.00 0.00 H new ATOM 0 HG1 THR A 88 -11.374 21.496 1.871 1.00 0.00 H new ATOM 0 HG21 THR A 88 -10.632 20.308 3.611 1.00 0.00 H new ATOM 0 HG22 THR A 88 -10.315 18.571 3.391 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.277 19.773 2.588 1.00 0.00 H new ATOM 1470 N LYS A 89 -10.462 19.598 -1.568 1.00 0.00 N ATOM 1471 CA LYS A 89 -10.855 20.269 -2.807 1.00 0.00 C ATOM 1472 C LYS A 89 -10.835 19.348 -4.007 1.00 0.00 C ATOM 1473 O LYS A 89 -11.125 19.795 -5.143 1.00 0.00 O ATOM 1474 CB LYS A 89 -9.913 21.486 -3.041 1.00 0.00 C ATOM 1475 CG LYS A 89 -10.111 22.623 -2.008 1.00 0.00 C ATOM 1476 CD LYS A 89 -8.837 23.392 -1.646 1.00 0.00 C ATOM 1477 CE LYS A 89 -9.211 24.817 -1.214 1.00 0.00 C ATOM 1478 NZ LYS A 89 -9.770 24.785 0.149 1.00 0.00 N ATOM 0 H LYS A 89 -9.462 19.632 -1.371 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.887 20.601 -2.695 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.878 21.147 -3.004 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.083 21.881 -4.043 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.844 23.327 -2.400 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.533 22.198 -1.097 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.307 22.883 -0.841 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.162 23.424 -2.501 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.331 25.460 -1.243 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.938 25.240 -1.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.024 25.750 0.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -10.619 24.184 0.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.062 24.398 0.805 1.00 0.00 H new ATOM 1492 N GLY A 90 -10.534 18.075 -3.843 1.00 0.00 N ATOM 1493 CA GLY A 90 -10.380 17.162 -4.974 1.00 0.00 C ATOM 1494 C GLY A 90 -9.067 17.336 -5.697 1.00 0.00 C ATOM 1495 O GLY A 90 -8.905 16.883 -6.849 1.00 0.00 O ATOM 0 H GLY A 90 -10.389 17.640 -2.932 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.459 16.135 -4.618 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.199 17.320 -5.676 1.00 0.00 H new ATOM 1499 N LYS A 91 -8.096 17.976 -5.074 1.00 0.00 N ATOM 1500 CA LYS A 91 -6.796 18.212 -5.700 1.00 0.00 C ATOM 1501 C LYS A 91 -5.833 17.088 -5.407 1.00 0.00 C ATOM 1502 O LYS A 91 -5.515 16.795 -4.239 1.00 0.00 O ATOM 1503 CB LYS A 91 -6.222 19.566 -5.191 1.00 0.00 C ATOM 1504 CG LYS A 91 -6.331 20.717 -6.220 1.00 0.00 C ATOM 1505 CD LYS A 91 -5.308 20.665 -7.359 1.00 0.00 C ATOM 1506 CE LYS A 91 -5.569 21.823 -8.332 1.00 0.00 C ATOM 1507 NZ LYS A 91 -5.112 21.443 -9.681 1.00 0.00 N ATOM 0 H LYS A 91 -8.178 18.347 -4.127 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.930 18.253 -6.781 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.748 19.854 -4.281 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.174 19.428 -4.924 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.332 20.706 -6.650 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.220 21.666 -5.695 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.297 20.733 -6.958 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.379 19.712 -7.883 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.632 22.064 -8.351 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.045 22.718 -7.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.288 22.227 -10.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.094 21.234 -9.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.631 20.600 -9.999 1.00 0.00 H new ATOM 1521 N ASN A 92 -5.319 16.453 -6.443 1.00 0.00 N ATOM 1522 CA ASN A 92 -4.280 15.438 -6.278 1.00 0.00 C ATOM 1523 C ASN A 92 -3.033 16.039 -5.671 1.00 0.00 C ATOM 1524 O ASN A 92 -2.212 16.677 -6.344 1.00 0.00 O ATOM 1525 CB ASN A 92 -3.962 14.783 -7.653 1.00 0.00 C ATOM 1526 CG ASN A 92 -3.301 15.672 -8.712 1.00 0.00 C ATOM 1527 OD1 ASN A 92 -3.940 16.454 -9.401 1.00 0.00 O ATOM 1528 ND2 ASN A 92 -2.010 15.587 -8.887 1.00 0.00 N ATOM 0 H ASN A 92 -5.600 16.617 -7.410 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.645 14.670 -5.597 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -3.312 13.926 -7.477 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -4.893 14.398 -8.068 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -1.551 16.167 -9.589 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -1.460 14.940 -8.321 1.00 0.00 H new ATOM 1535 N VAL A 93 -2.886 15.860 -4.371 1.00 0.00 N ATOM 1536 CA VAL A 93 -1.758 16.424 -3.628 1.00 0.00 C ATOM 1537 C VAL A 93 -0.595 15.461 -3.515 1.00 0.00 C ATOM 1538 O VAL A 93 0.549 15.847 -3.240 1.00 0.00 O ATOM 1539 CB VAL A 93 -2.250 16.871 -2.194 1.00 0.00 C ATOM 1540 CG1 VAL A 93 -3.599 17.640 -2.139 1.00 0.00 C ATOM 1541 CG2 VAL A 93 -2.404 15.703 -1.191 1.00 0.00 C ATOM 0 H VAL A 93 -3.537 15.324 -3.797 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.391 17.288 -4.183 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.437 17.543 -1.917 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.832 17.893 -1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.521 18.554 -2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.392 17.013 -2.546 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.745 16.090 -0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.133 14.989 -1.573 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.443 15.206 -1.061 1.00 0.00 H new ATOM 1551 N LEU A 94 -0.874 14.192 -3.748 1.00 0.00 N ATOM 1552 CA LEU A 94 0.165 13.170 -3.816 1.00 0.00 C ATOM 1553 C LEU A 94 -0.341 11.929 -4.518 1.00 0.00 C ATOM 1554 O LEU A 94 -1.501 11.514 -4.397 1.00 0.00 O ATOM 1555 CB LEU A 94 0.701 12.824 -2.397 1.00 0.00 C ATOM 1556 CG LEU A 94 1.431 11.467 -2.199 1.00 0.00 C ATOM 1557 CD1 LEU A 94 2.962 11.617 -2.177 1.00 0.00 C ATOM 1558 CD2 LEU A 94 0.958 10.797 -0.901 1.00 0.00 C ATOM 0 H LEU A 94 -1.819 13.838 -3.895 1.00 0.00 H new ATOM 0 HA LEU A 94 0.993 13.573 -4.399 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.386 13.617 -2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.142 12.853 -1.707 1.00 0.00 H new ATOM 0 HG LEU A 94 1.177 10.842 -3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.421 10.639 -2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.299 12.044 -3.122 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.251 12.275 -1.358 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.476 9.847 -0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.178 11.448 -0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.116 10.620 -0.953 1.00 0.00 H new ATOM 1570 N GLU A 95 0.556 11.300 -5.259 1.00 0.00 N ATOM 1571 CA GLU A 95 0.270 10.060 -5.972 1.00 0.00 C ATOM 1572 C GLU A 95 1.428 9.097 -5.848 1.00 0.00 C ATOM 1573 O GLU A 95 2.572 9.493 -5.560 1.00 0.00 O ATOM 1574 CB GLU A 95 -0.020 10.402 -7.460 1.00 0.00 C ATOM 1575 CG GLU A 95 1.028 11.292 -8.208 1.00 0.00 C ATOM 1576 CD GLU A 95 0.604 12.691 -8.663 1.00 0.00 C ATOM 1577 OE1 GLU A 95 0.353 13.598 -7.881 1.00 0.00 O ATOM 1578 OE2 GLU A 95 0.534 12.829 -10.016 1.00 0.00 O ATOM 0 H GLU A 95 1.511 11.636 -5.385 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.603 9.573 -5.537 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.120 9.465 -8.008 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.986 10.905 -7.509 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.894 11.404 -7.556 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.361 10.743 -9.089 1.00 0.00 H new ATOM 1585 N LYS A 96 1.177 7.822 -6.079 1.00 0.00 N ATOM 1586 CA LYS A 96 2.236 6.816 -6.061 1.00 0.00 C ATOM 1587 C LYS A 96 1.728 5.487 -6.566 1.00 0.00 C ATOM 1588 O LYS A 96 0.613 5.048 -6.248 1.00 0.00 O ATOM 1589 CB LYS A 96 2.801 6.686 -4.620 1.00 0.00 C ATOM 1590 CG LYS A 96 3.979 5.686 -4.504 1.00 0.00 C ATOM 1591 CD LYS A 96 5.294 6.292 -4.006 1.00 0.00 C ATOM 1592 CE LYS A 96 6.273 6.412 -5.182 1.00 0.00 C ATOM 1593 NZ LYS A 96 6.084 7.713 -5.846 1.00 0.00 N ATOM 0 H LYS A 96 0.248 7.452 -6.282 1.00 0.00 H new ATOM 0 HA LYS A 96 3.038 7.132 -6.728 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.133 7.667 -4.279 1.00 0.00 H new ATOM 0 HB3 LYS A 96 2.000 6.370 -3.952 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.688 4.882 -3.829 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.151 5.235 -5.481 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.113 7.273 -3.567 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.723 5.667 -3.223 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.299 6.319 -4.826 1.00 0.00 H new ATOM 0 HE3 LYS A 96 6.107 5.602 -5.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 6.747 7.795 -6.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 5.108 7.784 -6.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.263 8.479 -5.166 1.00 0.00 H new ATOM 1607 N ILE A 97 2.548 4.810 -7.348 1.00 0.00 N ATOM 1608 CA ILE A 97 2.141 3.578 -8.017 1.00 0.00 C ATOM 1609 C ILE A 97 2.509 2.363 -7.196 1.00 0.00 C ATOM 1610 O ILE A 97 3.429 2.376 -6.367 1.00 0.00 O ATOM 1611 CB ILE A 97 2.732 3.499 -9.484 1.00 0.00 C ATOM 1612 CG1 ILE A 97 2.539 4.795 -10.335 1.00 0.00 C ATOM 1613 CG2 ILE A 97 2.167 2.295 -10.300 1.00 0.00 C ATOM 1614 CD1 ILE A 97 3.137 4.764 -11.756 1.00 0.00 C ATOM 0 H ILE A 97 3.509 5.092 -7.540 1.00 0.00 H new ATOM 0 HA ILE A 97 1.055 3.590 -8.108 1.00 0.00 H new ATOM 0 HB ILE A 97 3.799 3.365 -9.308 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.471 4.997 -10.416 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.982 5.631 -9.794 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.608 2.292 -11.297 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.414 1.363 -9.792 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.084 2.388 -10.382 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.943 5.714 -12.253 1.00 0.00 H new ATOM 0 HD12 ILE A 97 4.213 4.599 -11.695 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.678 3.956 -12.326 1.00 0.00 H new ATOM 1626 N PHE A 98 1.787 1.281 -7.425 1.00 0.00 N ATOM 1627 CA PHE A 98 1.965 0.034 -6.685 1.00 0.00 C ATOM 1628 C PHE A 98 1.761 -1.163 -7.584 1.00 0.00 C ATOM 1629 O PHE A 98 1.303 -1.036 -8.742 1.00 0.00 O ATOM 1630 CB PHE A 98 0.946 -0.026 -5.506 1.00 0.00 C ATOM 1631 CG PHE A 98 1.161 1.001 -4.380 1.00 0.00 C ATOM 1632 CD1 PHE A 98 0.901 2.356 -4.596 1.00 0.00 C ATOM 1633 CD2 PHE A 98 1.659 0.582 -3.141 1.00 0.00 C ATOM 1634 CE1 PHE A 98 1.149 3.283 -3.587 1.00 0.00 C ATOM 1635 CE2 PHE A 98 1.912 1.510 -2.137 1.00 0.00 C ATOM 1636 CZ PHE A 98 1.652 2.861 -2.358 1.00 0.00 C ATOM 0 H PHE A 98 1.054 1.237 -8.133 1.00 0.00 H new ATOM 0 HA PHE A 98 2.984 0.008 -6.298 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.057 0.111 -5.910 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.980 -1.025 -5.072 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.507 2.685 -5.546 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.848 -0.467 -2.964 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.951 4.331 -3.757 1.00 0.00 H new ATOM 0 HE2 PHE A 98 2.309 1.184 -1.187 1.00 0.00 H new ATOM 0 HZ PHE A 98 1.841 3.582 -1.576 1.00 0.00 H new ATOM 1646 N ASP A 99 2.055 -2.354 -7.097 1.00 0.00 N ATOM 1647 CA ASP A 99 2.037 -3.549 -7.944 1.00 0.00 C ATOM 1648 C ASP A 99 2.015 -4.809 -7.113 1.00 0.00 C ATOM 1649 O ASP A 99 3.042 -5.252 -6.572 1.00 0.00 O ATOM 1650 CB ASP A 99 3.240 -3.524 -8.923 1.00 0.00 C ATOM 1651 CG ASP A 99 2.911 -3.475 -10.422 1.00 0.00 C ATOM 1652 OD1 ASP A 99 2.685 -4.475 -11.088 1.00 0.00 O ATOM 1653 OD2 ASP A 99 2.927 -2.204 -10.926 1.00 0.00 O ATOM 0 H ASP A 99 2.309 -2.527 -6.125 1.00 0.00 H new ATOM 0 HA ASP A 99 1.120 -3.546 -8.534 1.00 0.00 H new ATOM 0 HB2 ASP A 99 3.856 -2.658 -8.682 1.00 0.00 H new ATOM 0 HB3 ASP A 99 3.848 -4.410 -8.737 1.00 0.00 H new ATOM 1658 N LEU A 100 0.852 -5.425 -7.011 1.00 0.00 N ATOM 1659 CA LEU A 100 0.736 -6.724 -6.349 1.00 0.00 C ATOM 1660 C LEU A 100 1.338 -7.816 -7.200 1.00 0.00 C ATOM 1661 O LEU A 100 1.047 -7.959 -8.396 1.00 0.00 O ATOM 1662 CB LEU A 100 -0.749 -7.036 -6.011 1.00 0.00 C ATOM 1663 CG LEU A 100 -1.074 -7.701 -4.647 1.00 0.00 C ATOM 1664 CD1 LEU A 100 -0.308 -9.015 -4.424 1.00 0.00 C ATOM 1665 CD2 LEU A 100 -0.775 -6.726 -3.499 1.00 0.00 C ATOM 0 H LEU A 100 -0.026 -5.054 -7.374 1.00 0.00 H new ATOM 0 HA LEU A 100 1.294 -6.682 -5.414 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.305 -6.100 -6.064 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.139 -7.683 -6.797 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.136 -7.947 -4.663 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.577 -9.433 -3.454 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.567 -9.725 -5.209 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.764 -8.820 -4.451 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -1.007 -7.203 -2.547 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.280 -6.451 -3.520 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.385 -5.830 -3.614 1.00 0.00 H new ATOM 1677 N LYS A 101 2.214 -8.603 -6.594 1.00 0.00 N ATOM 1678 CA LYS A 101 2.844 -9.724 -7.284 1.00 0.00 C ATOM 1679 C LYS A 101 2.651 -11.017 -6.522 1.00 0.00 C ATOM 1680 O LYS A 101 2.160 -11.061 -5.386 1.00 0.00 O ATOM 1681 CB LYS A 101 4.364 -9.454 -7.489 1.00 0.00 C ATOM 1682 CG LYS A 101 4.665 -8.327 -8.507 1.00 0.00 C ATOM 1683 CD LYS A 101 5.838 -8.611 -9.451 1.00 0.00 C ATOM 1684 CE LYS A 101 5.524 -8.029 -10.836 1.00 0.00 C ATOM 1685 NZ LYS A 101 6.484 -8.563 -11.820 1.00 0.00 N ATOM 0 H LYS A 101 2.507 -8.488 -5.624 1.00 0.00 H new ATOM 0 HA LYS A 101 2.364 -9.824 -8.257 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.810 -9.193 -6.529 1.00 0.00 H new ATOM 0 HB3 LYS A 101 4.845 -10.373 -7.825 1.00 0.00 H new ATOM 0 HG2 LYS A 101 3.771 -8.148 -9.104 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.872 -7.408 -7.959 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.753 -8.169 -9.057 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.009 -9.685 -9.525 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.506 -8.286 -11.128 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.583 -6.941 -10.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.273 -8.170 -12.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 7.450 -8.297 -11.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 6.407 -9.600 -11.853 1.00 0.00 H new ATOM 1699 N ILE A 102 3.034 -12.106 -7.162 1.00 0.00 N ATOM 1700 CA ILE A 102 3.089 -13.421 -6.530 1.00 0.00 C ATOM 1701 C ILE A 102 4.447 -14.044 -6.748 1.00 0.00 C ATOM 1702 O ILE A 102 5.093 -13.850 -7.792 1.00 0.00 O ATOM 1703 CB ILE A 102 1.915 -14.363 -7.016 1.00 0.00 C ATOM 1704 CG1 ILE A 102 0.496 -13.705 -6.960 1.00 0.00 C ATOM 1705 CG2 ILE A 102 1.859 -15.709 -6.231 1.00 0.00 C ATOM 1706 CD1 ILE A 102 -0.204 -13.733 -5.585 1.00 0.00 C ATOM 0 H ILE A 102 3.319 -12.108 -8.142 1.00 0.00 H new ATOM 0 HA ILE A 102 2.944 -13.291 -5.458 1.00 0.00 H new ATOM 0 HB ILE A 102 2.162 -14.551 -8.061 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.585 -12.667 -7.280 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.146 -14.208 -7.683 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.035 -16.315 -6.607 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.797 -16.248 -6.366 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.706 -15.506 -5.171 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.178 -13.251 -5.663 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.335 -14.767 -5.265 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.407 -13.202 -4.855 1.00 0.00 H new ATOM 1718 N GLN A 103 4.899 -14.827 -5.788 1.00 0.00 N ATOM 1719 CA GLN A 103 6.267 -15.340 -5.802 1.00 0.00 C ATOM 1720 C GLN A 103 6.324 -16.815 -5.476 1.00 0.00 C ATOM 1721 O GLN A 103 5.479 -17.376 -4.765 1.00 0.00 O ATOM 1722 CB GLN A 103 7.108 -14.517 -4.799 1.00 0.00 C ATOM 1723 CG GLN A 103 8.335 -15.248 -4.161 1.00 0.00 C ATOM 1724 CD GLN A 103 8.877 -14.763 -2.811 1.00 0.00 C ATOM 1725 OE1 GLN A 103 8.422 -15.185 -1.759 1.00 0.00 O ATOM 1726 NE2 GLN A 103 9.829 -13.866 -2.773 1.00 0.00 N ATOM 0 H GLN A 103 4.344 -15.125 -4.986 1.00 0.00 H new ATOM 0 HA GLN A 103 6.675 -15.234 -6.807 1.00 0.00 H new ATOM 0 HB2 GLN A 103 7.469 -13.623 -5.307 1.00 0.00 H new ATOM 0 HB3 GLN A 103 6.452 -14.184 -3.995 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.069 -16.299 -4.049 1.00 0.00 H new ATOM 0 HG3 GLN A 103 9.154 -15.202 -4.879 1.00 0.00 H new ATOM 0 HE21 GLN A 103 10.221 -13.502 -3.641 1.00 0.00 H new ATOM 0 HE22 GLN A 103 10.179 -13.531 -1.875 1.00 0.00 H new