USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=22 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 18 ASN : amide:sc= -0.701 K(o=-0.23,f=-5.9!) USER MOD Set 1.2: A 69 LYS NZ :NH3+ -106:sc= 0.472 (180deg=0) USER MOD Set 2.1: A 60 TYR OH : rot 180:sc= 0.0291 USER MOD Set 2.2: A 81 TYR OH : rot -12:sc= -0.345 USER MOD Single : A 5 ASN : amide:sc= -0.75 K(o=-0.75,f=-2.1) USER MOD Single : A 9 THR OG1 : rot 150:sc= -1.43 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0.0235 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 26 MET CE :methyl -162:sc= -0.0952 (180deg=-0.938) USER MOD Single : A 27 SER OG : rot 180:sc= -0.0676 USER MOD Single : A 34 LYS NZ :NH3+ 159:sc= -0.0311 (180deg=-0.632) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 140:sc= -0.907 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 X(o=0,f=-0.47) USER MOD Single : A 49 LYS NZ :NH3+ -147:sc= -0.533 (180deg=-1.86!) 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+ -141:sc= 0 (180deg=-0.178) USER MOD Single : A 65 ASN : amide:sc= -0.516 K(o=-0.52,f=-4.4) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.549 USER MOD Single : A 71 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00739) USER MOD Single : A 72 HIS :FLIP no HD1:sc= -0.352 F(o=-1,f=-0.35) USER MOD Single : A 74 LYS NZ :NH3+ 143:sc= -0.266 (180deg=-0.971) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0.028 K(o=0.028,f=-3!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.144 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= -0.911 X(o=-0.91,f=-0.44) 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 8.673 4.400 -11.459 1.00 0.00 N ATOM 74 CA ASN A 5 8.131 5.015 -10.251 1.00 0.00 C ATOM 75 C ASN A 5 7.034 4.160 -9.658 1.00 0.00 C ATOM 76 O ASN A 5 5.942 4.629 -9.308 1.00 0.00 O ATOM 77 CB ASN A 5 7.603 6.441 -10.583 1.00 0.00 C ATOM 78 CG ASN A 5 7.068 6.672 -12.001 1.00 0.00 C ATOM 79 OD1 ASN A 5 6.565 5.777 -12.664 1.00 0.00 O ATOM 80 ND2 ASN A 5 7.156 7.868 -12.518 1.00 0.00 N ATOM 0 HA ASN A 5 8.925 5.096 -9.509 1.00 0.00 H new ATOM 0 HB2 ASN A 5 6.807 6.680 -9.877 1.00 0.00 H new ATOM 0 HB3 ASN A 5 8.411 7.151 -10.406 1.00 0.00 H new ATOM 0 HD21 ASN A 5 6.808 8.043 -13.461 1.00 0.00 H new ATOM 0 HD22 ASN A 5 7.573 8.627 -11.979 1.00 0.00 H new ATOM 87 N ALA A 6 7.314 2.869 -9.559 1.00 0.00 N ATOM 88 CA ALA A 6 6.338 1.906 -9.057 1.00 0.00 C ATOM 89 C ALA A 6 6.889 1.122 -7.888 1.00 0.00 C ATOM 90 O ALA A 6 8.088 1.160 -7.578 1.00 0.00 O ATOM 91 CB ALA A 6 5.926 1.005 -10.235 1.00 0.00 C ATOM 0 H ALA A 6 8.211 2.460 -9.820 1.00 0.00 H new ATOM 0 HA ALA A 6 5.457 2.418 -8.670 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.195 0.272 -9.894 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.486 1.616 -11.024 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.804 0.489 -10.623 1.00 0.00 H new ATOM 97 N LEU A 7 6.016 0.381 -7.230 1.00 0.00 N ATOM 98 CA LEU A 7 6.377 -0.388 -6.040 1.00 0.00 C ATOM 99 C LEU A 7 6.232 -1.870 -6.297 1.00 0.00 C ATOM 100 O LEU A 7 5.127 -2.413 -6.440 1.00 0.00 O ATOM 101 CB LEU A 7 5.530 0.068 -4.818 1.00 0.00 C ATOM 102 CG LEU A 7 4.652 -0.961 -4.053 1.00 0.00 C ATOM 103 CD1 LEU A 7 5.526 -2.097 -3.503 1.00 0.00 C ATOM 104 CD2 LEU A 7 3.874 -0.317 -2.890 1.00 0.00 C ATOM 0 H LEU A 7 5.037 0.291 -7.500 1.00 0.00 H new ATOM 0 HA LEU A 7 7.424 -0.197 -5.806 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.216 0.510 -4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.871 0.866 -5.160 1.00 0.00 H new ATOM 0 HG LEU A 7 3.928 -1.353 -4.768 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.900 -2.812 -2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.029 -2.601 -4.328 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.270 -1.686 -2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.276 -1.077 -2.387 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.576 0.120 -2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 7 3.218 0.462 -3.278 1.00 0.00 H new ATOM 116 N GLU A 8 7.360 -2.554 -6.390 1.00 0.00 N ATOM 117 CA GLU A 8 7.367 -3.991 -6.650 1.00 0.00 C ATOM 118 C GLU A 8 6.964 -4.765 -5.417 1.00 0.00 C ATOM 119 O GLU A 8 7.752 -4.969 -4.482 1.00 0.00 O ATOM 120 CB GLU A 8 8.784 -4.406 -7.136 1.00 0.00 C ATOM 121 CG GLU A 8 10.012 -3.824 -6.361 1.00 0.00 C ATOM 122 CD GLU A 8 10.677 -2.556 -6.901 1.00 0.00 C ATOM 123 OE1 GLU A 8 10.921 -2.593 -8.240 1.00 0.00 O ATOM 124 OE2 GLU A 8 10.960 -1.599 -6.192 1.00 0.00 O ATOM 0 H GLU A 8 8.287 -2.140 -6.290 1.00 0.00 H new ATOM 0 HA GLU A 8 6.638 -4.224 -7.426 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.847 -5.494 -7.099 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.879 -4.117 -8.183 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.694 -3.623 -5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.773 -4.603 -6.311 1.00 0.00 H new ATOM 131 N THR A 9 5.723 -5.209 -5.395 1.00 0.00 N ATOM 132 CA THR A 9 5.146 -5.894 -4.237 1.00 0.00 C ATOM 133 C THR A 9 5.035 -7.377 -4.517 1.00 0.00 C ATOM 134 O THR A 9 4.462 -7.782 -5.544 1.00 0.00 O ATOM 135 CB THR A 9 3.761 -5.259 -3.871 1.00 0.00 C ATOM 136 OG1 THR A 9 3.817 -4.644 -2.592 1.00 0.00 O ATOM 137 CG2 THR A 9 2.567 -6.232 -3.775 1.00 0.00 C ATOM 0 H THR A 9 5.078 -5.108 -6.178 1.00 0.00 H new ATOM 0 HA THR A 9 5.800 -5.770 -3.374 1.00 0.00 H new ATOM 0 HB THR A 9 3.591 -4.573 -4.701 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.194 -3.888 -2.565 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.665 -5.677 -3.516 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.424 -6.729 -4.735 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.767 -6.978 -3.006 1.00 0.00 H new ATOM 145 N TRP A 10 5.588 -8.217 -3.663 1.00 0.00 N ATOM 146 CA TRP A 10 5.676 -9.654 -3.924 1.00 0.00 C ATOM 147 C TRP A 10 5.003 -10.462 -2.840 1.00 0.00 C ATOM 148 O TRP A 10 4.980 -10.072 -1.658 1.00 0.00 O ATOM 149 CB TRP A 10 7.177 -10.056 -4.001 1.00 0.00 C ATOM 150 CG TRP A 10 7.870 -9.735 -5.328 1.00 0.00 C ATOM 151 CD1 TRP A 10 8.801 -8.697 -5.541 1.00 0.00 C ATOM 152 CD2 TRP A 10 7.662 -10.315 -6.561 1.00 0.00 C ATOM 153 NE1 TRP A 10 9.180 -8.611 -6.895 1.00 0.00 N ATOM 154 CE2 TRP A 10 8.460 -9.624 -7.507 1.00 0.00 C ATOM 155 CE3 TRP A 10 6.838 -11.398 -6.964 1.00 0.00 C ATOM 156 CZ2 TRP A 10 8.431 -10.007 -8.866 1.00 0.00 C ATOM 157 CZ3 TRP A 10 6.753 -11.691 -8.326 1.00 0.00 C ATOM 158 CH2 TRP A 10 7.541 -11.009 -9.264 1.00 0.00 C ATOM 0 H TRP A 10 5.990 -7.931 -2.770 1.00 0.00 H new ATOM 0 HA TRP A 10 5.166 -9.864 -4.864 1.00 0.00 H new ATOM 0 HB2 TRP A 10 7.714 -9.551 -3.198 1.00 0.00 H new ATOM 0 HB3 TRP A 10 7.260 -11.127 -3.816 1.00 0.00 H new ATOM 0 HD1 TRP A 10 9.176 -8.049 -4.763 1.00 0.00 H new ATOM 0 HE1 TRP A 10 9.833 -7.955 -7.325 1.00 0.00 H new ATOM 0 HE3 TRP A 10 6.291 -11.980 -6.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 9.084 -9.535 -9.585 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 6.069 -12.456 -8.663 1.00 0.00 H new ATOM 0 HH2 TRP A 10 7.459 -11.262 -10.311 1.00 0.00 H new ATOM 169 N GLY A 11 4.433 -11.601 -3.197 1.00 0.00 N ATOM 170 CA GLY A 11 3.886 -12.528 -2.211 1.00 0.00 C ATOM 171 C GLY A 11 3.721 -13.919 -2.775 1.00 0.00 C ATOM 172 O GLY A 11 3.878 -14.168 -3.979 1.00 0.00 O ATOM 0 H GLY A 11 4.335 -11.910 -4.164 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.544 -12.564 -1.343 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.920 -12.160 -1.864 1.00 0.00 H new ATOM 176 N ALA A 12 3.424 -14.866 -1.904 1.00 0.00 N ATOM 177 CA ALA A 12 3.058 -16.227 -2.299 1.00 0.00 C ATOM 178 C ALA A 12 1.562 -16.415 -2.189 1.00 0.00 C ATOM 179 O ALA A 12 0.908 -15.697 -1.381 1.00 0.00 O ATOM 180 CB ALA A 12 3.856 -17.204 -1.419 1.00 0.00 C ATOM 0 H ALA A 12 3.428 -14.718 -0.895 1.00 0.00 H new ATOM 0 HA ALA A 12 3.310 -16.421 -3.342 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.603 -18.229 -1.691 1.00 0.00 H new ATOM 0 HB2 ALA A 12 4.923 -17.041 -1.570 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.608 -17.035 -0.371 1.00 0.00 H new ATOM 186 N LEU A 13 0.967 -17.349 -2.916 1.00 0.00 N ATOM 187 CA LEU A 13 -0.504 -17.421 -2.952 1.00 0.00 C ATOM 188 C LEU A 13 -1.036 -17.985 -1.647 1.00 0.00 C ATOM 189 O LEU A 13 -0.326 -18.591 -0.834 1.00 0.00 O ATOM 190 CB LEU A 13 -1.099 -18.218 -4.141 1.00 0.00 C ATOM 191 CG LEU A 13 -0.297 -19.359 -4.860 1.00 0.00 C ATOM 192 CD1 LEU A 13 -1.201 -20.014 -5.917 1.00 0.00 C ATOM 193 CD2 LEU A 13 0.996 -18.861 -5.523 1.00 0.00 C ATOM 0 H LEU A 13 1.452 -18.051 -3.475 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.829 -16.391 -3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.030 -18.662 -3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.364 -17.489 -4.907 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.000 -20.080 -4.098 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.653 -20.809 -6.423 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.083 -20.433 -5.432 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.509 -19.265 -6.646 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.504 -19.697 -6.003 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.754 -18.106 -6.271 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.649 -18.426 -4.766 1.00 0.00 H new ATOM 205 N GLY A 14 -2.328 -17.770 -1.442 1.00 0.00 N ATOM 206 CA GLY A 14 -2.997 -18.150 -0.204 1.00 0.00 C ATOM 207 C GLY A 14 -2.707 -17.158 0.898 1.00 0.00 C ATOM 208 O GLY A 14 -2.568 -17.549 2.080 1.00 0.00 O ATOM 0 H GLY A 14 -2.941 -17.328 -2.127 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.073 -18.208 -0.371 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -2.668 -19.143 0.101 1.00 0.00 H new ATOM 212 N GLN A 15 -2.627 -15.878 0.591 1.00 0.00 N ATOM 213 CA GLN A 15 -2.182 -14.883 1.566 1.00 0.00 C ATOM 214 C GLN A 15 -3.189 -13.771 1.763 1.00 0.00 C ATOM 215 O GLN A 15 -4.332 -13.776 1.290 1.00 0.00 O ATOM 216 CB GLN A 15 -0.828 -14.308 1.084 1.00 0.00 C ATOM 217 CG GLN A 15 0.215 -13.971 2.200 1.00 0.00 C ATOM 218 CD GLN A 15 1.503 -13.231 1.820 1.00 0.00 C ATOM 219 OE1 GLN A 15 1.467 -12.153 1.249 1.00 0.00 O ATOM 220 NE2 GLN A 15 2.667 -13.763 2.094 1.00 0.00 N ATOM 0 H GLN A 15 -2.863 -15.496 -0.325 1.00 0.00 H new ATOM 0 HA GLN A 15 -2.073 -15.370 2.535 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.376 -15.024 0.398 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.025 -13.400 0.513 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.295 -13.375 2.957 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.503 -14.909 2.674 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.717 -14.663 2.571 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.524 -13.277 1.831 1.00 0.00 H new ATOM 229 N ASP A 16 -2.775 -12.790 2.549 1.00 0.00 N ATOM 230 CA ASP A 16 -3.497 -11.532 2.710 1.00 0.00 C ATOM 231 C ASP A 16 -2.499 -10.410 2.917 1.00 0.00 C ATOM 232 O ASP A 16 -1.718 -10.402 3.879 1.00 0.00 O ATOM 233 CB ASP A 16 -4.551 -11.622 3.843 1.00 0.00 C ATOM 234 CG ASP A 16 -4.562 -10.479 4.869 1.00 0.00 C ATOM 235 OD1 ASP A 16 -5.038 -9.307 4.351 1.00 0.00 O ATOM 236 OD2 ASP A 16 -4.165 -10.609 6.017 1.00 0.00 O ATOM 0 H ASP A 16 -1.919 -12.843 3.101 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.063 -11.317 1.804 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.539 -11.677 3.385 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.395 -12.558 4.379 1.00 0.00 H new ATOM 241 N ILE A 17 -2.505 -9.462 1.999 1.00 0.00 N ATOM 242 CA ILE A 17 -1.464 -8.439 1.940 1.00 0.00 C ATOM 243 C ILE A 17 -2.020 -7.036 2.011 1.00 0.00 C ATOM 244 O ILE A 17 -3.224 -6.784 1.869 1.00 0.00 O ATOM 245 CB ILE A 17 -0.559 -8.641 0.652 1.00 0.00 C ATOM 246 CG1 ILE A 17 0.787 -7.846 0.653 1.00 0.00 C ATOM 247 CG2 ILE A 17 -1.315 -8.307 -0.671 1.00 0.00 C ATOM 248 CD1 ILE A 17 1.698 -8.052 1.880 1.00 0.00 C ATOM 0 H ILE A 17 -3.221 -9.374 1.278 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.840 -8.562 2.825 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.317 -9.703 0.697 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.348 -8.121 -0.240 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.558 -6.784 0.571 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.649 -8.462 -1.520 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.184 -8.958 -0.768 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.641 -7.267 -0.651 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.600 -7.451 1.768 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.168 -7.747 2.782 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.971 -9.104 1.958 1.00 0.00 H new ATOM 260 N ASN A 18 -1.128 -6.088 2.260 1.00 0.00 N ATOM 261 CA ASN A 18 -1.498 -4.692 2.468 1.00 0.00 C ATOM 262 C ASN A 18 -0.812 -3.778 1.478 1.00 0.00 C ATOM 263 O ASN A 18 0.420 -3.754 1.346 1.00 0.00 O ATOM 264 CB ASN A 18 -1.137 -4.273 3.925 1.00 0.00 C ATOM 265 CG ASN A 18 -1.612 -5.179 5.066 1.00 0.00 C ATOM 266 OD1 ASN A 18 -2.023 -6.314 4.874 1.00 0.00 O ATOM 267 ND2 ASN A 18 -1.554 -4.728 6.290 1.00 0.00 N ATOM 0 H ASN A 18 -0.125 -6.264 2.324 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.572 -4.597 2.311 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.052 -4.191 3.991 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.543 -3.276 4.097 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.849 -5.320 7.066 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.214 -3.783 6.470 1.00 0.00 H new ATOM 274 N LEU A 19 -1.607 -3.008 0.759 1.00 0.00 N ATOM 275 CA LEU A 19 -1.110 -1.949 -0.115 1.00 0.00 C ATOM 276 C LEU A 19 -0.784 -0.714 0.690 1.00 0.00 C ATOM 277 O LEU A 19 -1.671 0.065 1.078 1.00 0.00 O ATOM 278 CB LEU A 19 -2.146 -1.635 -1.231 1.00 0.00 C ATOM 279 CG LEU A 19 -2.284 -2.644 -2.403 1.00 0.00 C ATOM 280 CD1 LEU A 19 -2.704 -1.969 -3.719 1.00 0.00 C ATOM 281 CD2 LEU A 19 -0.965 -3.402 -2.604 1.00 0.00 C ATOM 0 H LEU A 19 -2.623 -3.096 0.761 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.193 -2.291 -0.595 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.124 -1.535 -0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.895 -0.663 -1.655 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.076 -3.342 -2.131 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.785 -2.721 -4.504 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.668 -1.479 -3.585 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.957 -1.228 -4.003 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.073 -4.107 -3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.169 -2.693 -2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.715 -3.945 -1.693 1.00 0.00 H new ATOM 293 N ASP A 20 0.491 -0.491 0.940 1.00 0.00 N ATOM 294 CA ASP A 20 0.925 0.567 1.849 1.00 0.00 C ATOM 295 C ASP A 20 1.148 1.862 1.104 1.00 0.00 C ATOM 296 O ASP A 20 0.559 2.111 0.039 1.00 0.00 O ATOM 297 CB ASP A 20 2.176 0.093 2.640 1.00 0.00 C ATOM 298 CG ASP A 20 2.218 -1.390 3.034 1.00 0.00 C ATOM 299 OD1 ASP A 20 2.601 -2.271 2.278 1.00 0.00 O ATOM 300 OD2 ASP A 20 1.762 -1.614 4.304 1.00 0.00 O ATOM 0 H ASP A 20 1.253 -1.028 0.527 1.00 0.00 H new ATOM 0 HA ASP A 20 0.139 0.773 2.576 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.061 0.312 2.042 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.250 0.689 3.549 1.00 0.00 H new ATOM 305 N ILE A 21 1.981 2.724 1.654 1.00 0.00 N ATOM 306 CA ILE A 21 2.170 4.074 1.129 1.00 0.00 C ATOM 307 C ILE A 21 3.407 4.712 1.713 1.00 0.00 C ATOM 308 O ILE A 21 3.855 4.364 2.821 1.00 0.00 O ATOM 309 CB ILE A 21 0.878 4.959 1.379 1.00 0.00 C ATOM 310 CG1 ILE A 21 0.923 6.404 0.785 1.00 0.00 C ATOM 311 CG2 ILE A 21 0.522 5.078 2.895 1.00 0.00 C ATOM 312 CD1 ILE A 21 0.800 6.507 -0.749 1.00 0.00 C ATOM 0 H ILE A 21 2.548 2.515 2.476 1.00 0.00 H new ATOM 0 HA ILE A 21 2.318 4.007 0.051 1.00 0.00 H new ATOM 0 HB ILE A 21 0.110 4.406 0.838 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.118 6.986 1.234 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.861 6.871 1.087 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.370 5.694 3.012 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.334 4.085 3.304 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.353 5.538 3.429 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.844 7.554 -1.048 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.619 5.961 -1.217 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.150 6.078 -1.067 1.00 0.00 H new ATOM 324 N PRO A 22 3.984 5.657 0.999 1.00 0.00 N ATOM 325 CA PRO A 22 5.158 6.539 1.419 1.00 0.00 C ATOM 326 C PRO A 22 5.037 7.121 2.813 1.00 0.00 C ATOM 327 O PRO A 22 4.055 6.930 3.543 1.00 0.00 O ATOM 328 CB PRO A 22 5.236 7.688 0.424 1.00 0.00 C ATOM 329 CG PRO A 22 3.938 7.584 -0.391 1.00 0.00 C ATOM 330 CD PRO A 22 3.609 6.082 -0.374 1.00 0.00 C ATOM 0 HA PRO A 22 6.049 5.911 1.429 1.00 0.00 H new ATOM 0 HB2 PRO A 22 5.308 8.649 0.933 1.00 0.00 H new ATOM 0 HB3 PRO A 22 6.114 7.599 -0.216 1.00 0.00 H new ATOM 0 HG2 PRO A 22 3.137 8.173 0.056 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.074 7.951 -1.408 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.553 5.901 -0.575 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.176 5.539 -1.130 1.00 0.00 H new ATOM 338 N SER A 23 6.056 7.882 3.190 1.00 0.00 N ATOM 339 CA SER A 23 6.168 8.405 4.549 1.00 0.00 C ATOM 340 C SER A 23 5.471 9.737 4.714 1.00 0.00 C ATOM 341 O SER A 23 5.874 10.581 5.535 1.00 0.00 O ATOM 342 CB SER A 23 7.656 8.494 4.977 1.00 0.00 C ATOM 343 OG SER A 23 8.517 8.920 3.915 1.00 0.00 O ATOM 0 H SER A 23 6.821 8.153 2.572 1.00 0.00 H new ATOM 0 HA SER A 23 5.658 7.703 5.209 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.748 9.188 5.813 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.985 7.518 5.335 1.00 0.00 H new ATOM 0 HG SER A 23 9.441 8.960 4.239 1.00 0.00 H new ATOM 349 N PHE A 24 4.411 9.957 3.962 1.00 0.00 N ATOM 350 CA PHE A 24 3.551 11.126 4.141 1.00 0.00 C ATOM 351 C PHE A 24 2.307 10.753 4.912 1.00 0.00 C ATOM 352 O PHE A 24 1.839 9.599 4.864 1.00 0.00 O ATOM 353 CB PHE A 24 3.139 11.705 2.754 1.00 0.00 C ATOM 354 CG PHE A 24 1.700 12.229 2.628 1.00 0.00 C ATOM 355 CD1 PHE A 24 0.634 11.351 2.419 1.00 0.00 C ATOM 356 CD2 PHE A 24 1.461 13.608 2.667 1.00 0.00 C ATOM 357 CE1 PHE A 24 -0.658 11.847 2.258 1.00 0.00 C ATOM 358 CE2 PHE A 24 0.170 14.101 2.515 1.00 0.00 C ATOM 359 CZ PHE A 24 -0.890 13.221 2.309 1.00 0.00 C ATOM 0 H PHE A 24 4.116 9.336 3.209 1.00 0.00 H new ATOM 0 HA PHE A 24 4.108 11.878 4.700 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.821 12.519 2.508 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.286 10.929 2.003 1.00 0.00 H new ATOM 0 HD1 PHE A 24 0.811 10.286 2.382 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.283 14.292 2.816 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.481 11.167 2.094 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.011 15.165 2.557 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.893 13.603 2.189 1.00 0.00 H new ATOM 369 N GLN A 25 1.745 11.691 5.650 1.00 0.00 N ATOM 370 CA GLN A 25 0.623 11.401 6.542 1.00 0.00 C ATOM 371 C GLN A 25 -0.308 12.586 6.658 1.00 0.00 C ATOM 372 O GLN A 25 0.102 13.754 6.602 1.00 0.00 O ATOM 373 CB GLN A 25 1.181 11.001 7.925 1.00 0.00 C ATOM 374 CG GLN A 25 0.122 10.681 9.031 1.00 0.00 C ATOM 375 CD GLN A 25 0.601 10.316 10.442 1.00 0.00 C ATOM 376 OE1 GLN A 25 1.732 10.585 10.814 1.00 0.00 O ATOM 377 NE2 GLN A 25 -0.208 9.704 11.270 1.00 0.00 N ATOM 0 H GLN A 25 2.044 12.666 5.654 1.00 0.00 H new ATOM 0 HA GLN A 25 0.040 10.578 6.129 1.00 0.00 H new ATOM 0 HB2 GLN A 25 1.818 10.126 7.797 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.818 11.809 8.284 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.531 11.549 9.121 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.492 9.856 8.669 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.157 9.471 10.977 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.111 9.460 12.208 1.00 0.00 H new ATOM 386 N MET A 26 -1.587 12.297 6.819 1.00 0.00 N ATOM 387 CA MET A 26 -2.609 13.335 6.922 1.00 0.00 C ATOM 388 C MET A 26 -2.255 14.336 7.995 1.00 0.00 C ATOM 389 O MET A 26 -1.446 14.072 8.898 1.00 0.00 O ATOM 390 CB MET A 26 -3.994 12.689 7.204 1.00 0.00 C ATOM 391 CG MET A 26 -4.184 12.090 8.614 1.00 0.00 C ATOM 392 SD MET A 26 -5.565 10.935 8.605 1.00 0.00 S ATOM 393 CE MET A 26 -6.838 12.048 7.990 1.00 0.00 C ATOM 0 H MET A 26 -1.949 11.346 6.882 1.00 0.00 H new ATOM 0 HA MET A 26 -2.659 13.870 5.974 1.00 0.00 H new ATOM 0 HB2 MET A 26 -4.764 13.443 7.044 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.162 11.901 6.470 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.273 11.580 8.928 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.368 12.886 9.335 1.00 0.00 H new ATOM 0 HE1 MET A 26 -7.822 11.632 8.209 1.00 0.00 H new ATOM 0 HE2 MET A 26 -6.738 13.019 8.476 1.00 0.00 H new ATOM 0 HE3 MET A 26 -6.726 12.168 6.912 1.00 0.00 H new ATOM 403 N SER A 27 -2.868 15.506 7.932 1.00 0.00 N ATOM 404 CA SER A 27 -2.518 16.602 8.830 1.00 0.00 C ATOM 405 C SER A 27 -3.518 17.737 8.724 1.00 0.00 C ATOM 406 O SER A 27 -4.543 17.785 9.417 1.00 0.00 O ATOM 407 CB SER A 27 -1.054 17.062 8.579 1.00 0.00 C ATOM 408 OG SER A 27 -0.759 18.322 9.190 1.00 0.00 O ATOM 0 H SER A 27 -3.612 15.725 7.269 1.00 0.00 H new ATOM 0 HA SER A 27 -2.569 16.246 9.859 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.369 16.307 8.964 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.879 17.133 7.506 1.00 0.00 H new ATOM 0 HG SER A 27 0.172 18.565 9.005 1.00 0.00 H new ATOM 414 N ASP A 28 -3.204 18.683 7.855 1.00 0.00 N ATOM 415 CA ASP A 28 -3.972 19.917 7.734 1.00 0.00 C ATOM 416 C ASP A 28 -5.364 19.665 7.204 1.00 0.00 C ATOM 417 O ASP A 28 -6.359 19.660 7.957 1.00 0.00 O ATOM 418 CB ASP A 28 -3.206 20.949 6.860 1.00 0.00 C ATOM 419 CG ASP A 28 -2.349 20.403 5.708 1.00 0.00 C ATOM 420 OD1 ASP A 28 -1.098 20.022 6.110 1.00 0.00 O ATOM 421 OD2 ASP A 28 -2.742 20.345 4.552 1.00 0.00 O ATOM 0 H ASP A 28 -2.413 18.621 7.214 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.090 20.337 8.733 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.936 21.641 6.438 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.558 21.530 7.516 1.00 0.00 H new ATOM 426 N ASP A 29 -5.487 19.426 5.911 1.00 0.00 N ATOM 427 CA ASP A 29 -6.797 19.335 5.268 1.00 0.00 C ATOM 428 C ASP A 29 -6.882 18.201 4.271 1.00 0.00 C ATOM 429 O ASP A 29 -7.757 18.215 3.374 1.00 0.00 O ATOM 430 CB ASP A 29 -7.149 20.696 4.605 1.00 0.00 C ATOM 431 CG ASP A 29 -7.224 21.918 5.531 1.00 0.00 C ATOM 432 OD1 ASP A 29 -7.874 21.932 6.565 1.00 0.00 O ATOM 433 OD2 ASP A 29 -6.509 22.984 5.059 1.00 0.00 O ATOM 0 H ASP A 29 -4.698 19.290 5.280 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.531 19.110 6.041 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.407 20.900 3.833 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.111 20.591 4.103 1.00 0.00 H new ATOM 438 N ILE A 30 -6.036 17.196 4.380 1.00 0.00 N ATOM 439 CA ILE A 30 -6.154 16.000 3.541 1.00 0.00 C ATOM 440 C ILE A 30 -7.381 15.206 3.923 1.00 0.00 C ATOM 441 O ILE A 30 -7.600 14.879 5.102 1.00 0.00 O ATOM 442 CB ILE A 30 -4.840 15.120 3.586 1.00 0.00 C ATOM 443 CG1 ILE A 30 -3.690 15.617 2.651 1.00 0.00 C ATOM 444 CG2 ILE A 30 -5.107 13.617 3.266 1.00 0.00 C ATOM 445 CD1 ILE A 30 -3.723 17.114 2.282 1.00 0.00 C ATOM 0 H ILE A 30 -5.257 17.175 5.038 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.274 16.322 2.507 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.510 15.231 4.619 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.737 15.402 3.134 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.719 15.035 1.730 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.169 13.063 3.312 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.806 13.208 3.996 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.533 13.528 2.266 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.880 17.347 1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.655 17.341 1.764 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.657 17.714 3.190 1.00 0.00 H new ATOM 457 N ASP A 31 -8.215 14.893 2.946 1.00 0.00 N ATOM 458 CA ASP A 31 -9.508 14.267 3.216 1.00 0.00 C ATOM 459 C ASP A 31 -9.807 13.093 2.309 1.00 0.00 C ATOM 460 O ASP A 31 -10.534 12.155 2.733 1.00 0.00 O ATOM 461 CB ASP A 31 -10.630 15.342 3.131 1.00 0.00 C ATOM 462 CG ASP A 31 -11.227 15.818 4.463 1.00 0.00 C ATOM 463 OD1 ASP A 31 -10.575 16.398 5.319 1.00 0.00 O ATOM 464 OD2 ASP A 31 -12.558 15.524 4.582 1.00 0.00 O ATOM 0 H ASP A 31 -8.025 15.060 1.958 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.467 13.854 4.224 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.231 16.210 2.607 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.438 14.943 2.518 1.00 0.00 H new ATOM 469 N ASP A 32 -9.291 13.045 1.099 1.00 0.00 N ATOM 470 CA ASP A 32 -9.694 12.029 0.123 1.00 0.00 C ATOM 471 C ASP A 32 -8.575 11.061 -0.181 1.00 0.00 C ATOM 472 O ASP A 32 -7.379 11.379 -0.121 1.00 0.00 O ATOM 473 CB ASP A 32 -10.222 12.719 -1.164 1.00 0.00 C ATOM 474 CG ASP A 32 -10.021 11.959 -2.483 1.00 0.00 C ATOM 475 OD1 ASP A 32 -8.918 11.714 -2.950 1.00 0.00 O ATOM 476 OD2 ASP A 32 -11.201 11.614 -3.081 1.00 0.00 O ATOM 0 H ASP A 32 -8.586 13.698 0.757 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.500 11.437 0.557 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.288 12.906 -1.037 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.737 13.691 -1.253 1.00 0.00 H new ATOM 481 N ILE A 33 -8.956 9.836 -0.498 1.00 0.00 N ATOM 482 CA ILE A 33 -8.028 8.811 -0.967 1.00 0.00 C ATOM 483 C ILE A 33 -8.586 8.113 -2.186 1.00 0.00 C ATOM 484 O ILE A 33 -9.812 8.123 -2.424 1.00 0.00 O ATOM 485 CB ILE A 33 -7.658 7.784 0.180 1.00 0.00 C ATOM 486 CG1 ILE A 33 -7.651 8.387 1.621 1.00 0.00 C ATOM 487 CG2 ILE A 33 -6.283 7.085 -0.058 1.00 0.00 C ATOM 488 CD1 ILE A 33 -7.748 7.370 2.777 1.00 0.00 C ATOM 0 H ILE A 33 -9.923 9.518 -0.438 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.099 9.303 -1.255 1.00 0.00 H new ATOM 0 HB ILE A 33 -8.467 7.056 0.123 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -6.736 8.966 1.748 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.484 9.085 1.706 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.081 6.392 0.759 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.312 6.537 -1.000 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.495 7.837 -0.099 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.734 7.900 3.730 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.677 6.806 2.689 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.902 6.685 2.731 1.00 0.00 H new ATOM 500 N LYS A 34 -7.732 7.517 -2.996 1.00 0.00 N ATOM 501 CA LYS A 34 -8.193 6.709 -4.126 1.00 0.00 C ATOM 502 C LYS A 34 -7.220 5.600 -4.463 1.00 0.00 C ATOM 503 O LYS A 34 -5.995 5.769 -4.534 1.00 0.00 O ATOM 504 CB LYS A 34 -8.433 7.629 -5.353 1.00 0.00 C ATOM 505 CG LYS A 34 -9.726 8.480 -5.241 1.00 0.00 C ATOM 506 CD LYS A 34 -10.581 8.514 -6.511 1.00 0.00 C ATOM 507 CE LYS A 34 -10.769 7.082 -7.031 1.00 0.00 C ATOM 508 NZ LYS A 34 -10.079 6.936 -8.325 1.00 0.00 N ATOM 0 H LYS A 34 -6.718 7.572 -2.900 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.130 6.228 -3.845 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.578 8.294 -5.472 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.487 7.016 -6.253 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.331 8.091 -4.422 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.451 9.501 -4.977 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.550 8.967 -6.300 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.100 9.130 -7.271 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.371 6.367 -6.311 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.830 6.861 -7.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.894 5.929 -8.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.678 7.321 -9.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.178 7.454 -8.298 1.00 0.00 H new ATOM 522 N TRP A 35 -7.777 4.423 -4.702 1.00 0.00 N ATOM 523 CA TRP A 35 -7.023 3.251 -5.134 1.00 0.00 C ATOM 524 C TRP A 35 -7.730 2.552 -6.272 1.00 0.00 C ATOM 525 O TRP A 35 -8.946 2.291 -6.215 1.00 0.00 O ATOM 526 CB TRP A 35 -6.871 2.273 -3.937 1.00 0.00 C ATOM 527 CG TRP A 35 -5.704 2.542 -2.984 1.00 0.00 C ATOM 528 CD1 TRP A 35 -5.782 3.269 -1.775 1.00 0.00 C ATOM 529 CD2 TRP A 35 -4.413 2.062 -3.056 1.00 0.00 C ATOM 530 NE1 TRP A 35 -4.557 3.244 -1.079 1.00 0.00 N ATOM 531 CE2 TRP A 35 -3.727 2.487 -1.890 1.00 0.00 C ATOM 532 CE3 TRP A 35 -3.749 1.290 -4.045 1.00 0.00 C ATOM 533 CZ2 TRP A 35 -2.388 2.093 -1.675 1.00 0.00 C ATOM 534 CZ3 TRP A 35 -2.436 0.886 -3.793 1.00 0.00 C ATOM 535 CH2 TRP A 35 -1.779 1.249 -2.609 1.00 0.00 C ATOM 0 H TRP A 35 -8.777 4.250 -4.601 1.00 0.00 H new ATOM 0 HA TRP A 35 -6.041 3.571 -5.481 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -7.795 2.293 -3.360 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.764 1.263 -4.332 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.668 3.779 -1.428 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -4.333 3.682 -0.185 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -4.245 1.023 -4.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.845 2.437 -0.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.917 0.283 -4.524 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.786 0.871 -2.415 1.00 0.00 H new ATOM 546 N GLU A 36 -7.008 2.252 -7.335 1.00 0.00 N ATOM 547 CA GLU A 36 -7.606 1.639 -8.519 1.00 0.00 C ATOM 548 C GLU A 36 -6.729 0.536 -9.062 1.00 0.00 C ATOM 549 O GLU A 36 -5.607 0.298 -8.587 1.00 0.00 O ATOM 550 CB GLU A 36 -7.836 2.747 -9.586 1.00 0.00 C ATOM 551 CG GLU A 36 -7.664 4.236 -9.138 1.00 0.00 C ATOM 552 CD GLU A 36 -7.859 5.337 -10.183 1.00 0.00 C ATOM 553 OE1 GLU A 36 -9.103 5.351 -10.739 1.00 0.00 O ATOM 554 OE2 GLU A 36 -6.977 6.128 -10.491 1.00 0.00 O ATOM 0 H GLU A 36 -6.005 2.421 -7.409 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.560 1.184 -8.252 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.149 2.564 -10.412 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.846 2.630 -9.979 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.366 4.421 -8.325 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.661 4.345 -8.724 1.00 0.00 H new ATOM 561 N LYS A 37 -7.231 -0.173 -10.054 1.00 0.00 N ATOM 562 CA LYS A 37 -6.434 -1.157 -10.784 1.00 0.00 C ATOM 563 C LYS A 37 -5.775 -0.489 -11.970 1.00 0.00 C ATOM 564 O LYS A 37 -6.436 -0.142 -12.959 1.00 0.00 O ATOM 565 CB LYS A 37 -7.331 -2.349 -11.215 1.00 0.00 C ATOM 566 CG LYS A 37 -6.725 -3.732 -10.866 1.00 0.00 C ATOM 567 CD LYS A 37 -7.516 -4.933 -11.394 1.00 0.00 C ATOM 568 CE LYS A 37 -7.473 -4.930 -12.928 1.00 0.00 C ATOM 569 NZ LYS A 37 -8.602 -5.720 -13.450 1.00 0.00 N ATOM 0 H LYS A 37 -8.194 -0.089 -10.380 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.648 -1.554 -10.141 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.304 -2.255 -10.733 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.501 -2.296 -12.290 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.711 -3.779 -11.264 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.646 -3.815 -9.782 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.093 -5.860 -11.008 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.548 -4.885 -11.047 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.526 -3.908 -13.302 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.529 -5.349 -13.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.575 -5.719 -14.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.532 -6.698 -13.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.497 -5.301 -13.127 1.00 0.00 H new ATOM 583 N THR A 38 -4.478 -0.275 -11.877 1.00 0.00 N ATOM 584 CA THR A 38 -3.727 0.557 -12.818 1.00 0.00 C ATOM 585 C THR A 38 -4.159 0.407 -14.260 1.00 0.00 C ATOM 586 O THR A 38 -4.502 1.396 -14.935 1.00 0.00 O ATOM 587 CB THR A 38 -2.187 0.265 -12.703 1.00 0.00 C ATOM 588 OG1 THR A 38 -1.825 -0.854 -13.501 1.00 0.00 O ATOM 589 CG2 THR A 38 -1.657 -0.076 -11.295 1.00 0.00 C ATOM 0 H THR A 38 -3.901 -0.676 -11.138 1.00 0.00 H new ATOM 0 HA THR A 38 -3.945 1.586 -12.532 1.00 0.00 H new ATOM 0 HB THR A 38 -1.748 1.210 -13.023 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.966 -0.679 -13.940 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.583 -0.257 -11.344 1.00 0.00 H new ATOM 0 HG22 THR A 38 -1.854 0.757 -10.620 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.159 -0.970 -10.924 1.00 0.00 H new ATOM 597 N SER A 39 -4.179 -0.811 -14.763 1.00 0.00 N ATOM 598 CA SER A 39 -4.394 -1.065 -16.186 1.00 0.00 C ATOM 599 C SER A 39 -5.802 -0.750 -16.632 1.00 0.00 C ATOM 600 O SER A 39 -6.018 -0.013 -17.616 1.00 0.00 O ATOM 601 CB SER A 39 -4.012 -2.529 -16.535 1.00 0.00 C ATOM 602 OG SER A 39 -4.473 -2.929 -17.829 1.00 0.00 O ATOM 0 H SER A 39 -4.048 -1.655 -14.205 1.00 0.00 H new ATOM 0 HA SER A 39 -3.741 -0.386 -16.735 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.928 -2.637 -16.491 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.430 -3.198 -15.783 1.00 0.00 H new ATOM 0 HG SER A 39 -4.205 -3.856 -17.999 1.00 0.00 H new ATOM 608 N ASP A 40 -6.794 -1.291 -15.952 1.00 0.00 N ATOM 609 CA ASP A 40 -8.180 -1.195 -16.411 1.00 0.00 C ATOM 610 C ASP A 40 -8.972 -0.111 -15.709 1.00 0.00 C ATOM 611 O ASP A 40 -10.225 -0.107 -15.804 1.00 0.00 O ATOM 612 CB ASP A 40 -8.873 -2.579 -16.263 1.00 0.00 C ATOM 613 CG ASP A 40 -9.786 -3.020 -17.415 1.00 0.00 C ATOM 614 OD1 ASP A 40 -9.362 -2.566 -18.632 1.00 0.00 O ATOM 615 OD2 ASP A 40 -10.774 -3.722 -17.251 1.00 0.00 O ATOM 0 H ASP A 40 -6.673 -1.803 -15.078 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.154 -0.906 -17.462 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.099 -3.335 -16.134 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.463 -2.568 -15.347 1.00 0.00 H new ATOM 620 N LYS A 41 -8.331 0.819 -15.030 1.00 0.00 N ATOM 621 CA LYS A 41 -9.012 1.975 -14.436 1.00 0.00 C ATOM 622 C LYS A 41 -10.213 1.520 -13.638 1.00 0.00 C ATOM 623 O LYS A 41 -11.364 1.923 -13.859 1.00 0.00 O ATOM 624 CB LYS A 41 -9.401 2.982 -15.551 1.00 0.00 C ATOM 625 CG LYS A 41 -10.598 2.554 -16.436 1.00 0.00 C ATOM 626 CD LYS A 41 -10.631 3.182 -17.832 1.00 0.00 C ATOM 627 CE LYS A 41 -11.133 2.140 -18.842 1.00 0.00 C ATOM 628 NZ LYS A 41 -11.326 2.782 -20.155 1.00 0.00 N ATOM 0 H LYS A 41 -7.324 0.804 -14.869 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.339 2.485 -13.746 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.636 3.940 -15.088 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.534 3.143 -16.192 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.581 1.469 -16.543 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.522 2.809 -15.918 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.284 4.054 -17.836 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.636 3.528 -18.112 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.415 1.324 -18.926 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.071 1.705 -18.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.666 2.077 -20.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.026 3.546 -20.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.422 3.177 -20.485 1.00 0.00 H new ATOM 642 N LYS A 42 -9.950 0.673 -12.656 1.00 0.00 N ATOM 643 CA LYS A 42 -11.009 0.012 -11.898 1.00 0.00 C ATOM 644 C LYS A 42 -10.959 0.371 -10.431 1.00 0.00 C ATOM 645 O LYS A 42 -10.343 -0.302 -9.593 1.00 0.00 O ATOM 646 CB LYS A 42 -10.898 -1.526 -12.096 1.00 0.00 C ATOM 647 CG LYS A 42 -11.851 -2.341 -11.187 1.00 0.00 C ATOM 648 CD LYS A 42 -13.342 -2.137 -11.470 1.00 0.00 C ATOM 649 CE LYS A 42 -13.897 -3.379 -12.179 1.00 0.00 C ATOM 650 NZ LYS A 42 -15.312 -3.562 -11.812 1.00 0.00 N ATOM 0 H LYS A 42 -9.006 0.423 -12.361 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.971 0.359 -12.274 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.111 -1.766 -13.138 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.871 -1.835 -11.901 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.617 -3.400 -11.296 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.654 -2.076 -10.148 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.881 -1.965 -10.538 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.489 -1.253 -12.091 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.802 -3.267 -13.259 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.320 -4.260 -11.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.689 -4.404 -12.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.390 -3.687 -10.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.857 -2.725 -12.102 1.00 0.00 H new ATOM 664 N LYS A 43 -11.655 1.444 -10.086 1.00 0.00 N ATOM 665 CA LYS A 43 -11.827 1.847 -8.694 1.00 0.00 C ATOM 666 C LYS A 43 -12.291 0.684 -7.848 1.00 0.00 C ATOM 667 O LYS A 43 -13.414 0.178 -7.988 1.00 0.00 O ATOM 668 CB LYS A 43 -12.837 3.026 -8.616 1.00 0.00 C ATOM 669 CG LYS A 43 -12.434 4.243 -9.486 1.00 0.00 C ATOM 670 CD LYS A 43 -13.420 5.414 -9.450 1.00 0.00 C ATOM 671 CE LYS A 43 -13.694 5.890 -10.882 1.00 0.00 C ATOM 672 NZ LYS A 43 -15.128 6.195 -11.031 1.00 0.00 N ATOM 0 H LYS A 43 -12.115 2.059 -10.758 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.866 2.176 -8.300 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.819 2.674 -8.931 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -12.930 3.346 -7.578 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.457 4.599 -9.158 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.322 3.912 -10.519 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.350 5.106 -8.972 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.011 6.231 -8.855 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.098 6.775 -11.103 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.399 5.121 -11.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.315 6.518 -12.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.687 5.340 -10.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -15.395 6.943 -10.360 1.00 0.00 H new ATOM 686 N ILE A 44 -11.436 0.254 -6.939 1.00 0.00 N ATOM 687 CA ILE A 44 -11.769 -0.796 -5.982 1.00 0.00 C ATOM 688 C ILE A 44 -11.698 -0.301 -4.556 1.00 0.00 C ATOM 689 O ILE A 44 -12.116 -1.013 -3.615 1.00 0.00 O ATOM 690 CB ILE A 44 -10.866 -2.081 -6.200 1.00 0.00 C ATOM 691 CG1 ILE A 44 -9.493 -1.824 -6.904 1.00 0.00 C ATOM 692 CG2 ILE A 44 -11.605 -3.207 -6.988 1.00 0.00 C ATOM 693 CD1 ILE A 44 -8.268 -1.729 -5.972 1.00 0.00 C ATOM 0 H ILE A 44 -10.489 0.620 -6.840 1.00 0.00 H new ATOM 0 HA ILE A 44 -12.803 -1.086 -6.166 1.00 0.00 H new ATOM 0 HB ILE A 44 -10.659 -2.398 -5.178 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.318 -2.626 -7.622 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.566 -0.897 -7.473 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -10.941 -4.063 -7.109 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -12.494 -3.513 -6.437 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -11.897 -2.833 -7.969 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.372 -1.550 -6.566 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -8.408 -0.907 -5.270 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.157 -2.663 -5.421 1.00 0.00 H new ATOM 705 N ALA A 45 -11.184 0.892 -4.325 1.00 0.00 N ATOM 706 CA ALA A 45 -11.190 1.493 -2.988 1.00 0.00 C ATOM 707 C ALA A 45 -11.078 2.996 -3.084 1.00 0.00 C ATOM 708 O ALA A 45 -10.217 3.519 -3.830 1.00 0.00 O ATOM 709 CB ALA A 45 -10.043 0.857 -2.185 1.00 0.00 C ATOM 0 H ALA A 45 -10.753 1.473 -5.044 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.129 1.297 -2.471 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.020 1.284 -1.182 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.199 -0.220 -2.117 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.095 1.055 -2.685 1.00 0.00 H new ATOM 715 N GLN A 46 -11.923 3.733 -2.381 1.00 0.00 N ATOM 716 CA GLN A 46 -11.889 5.197 -2.462 1.00 0.00 C ATOM 717 C GLN A 46 -12.552 5.869 -1.280 1.00 0.00 C ATOM 718 O GLN A 46 -13.544 5.405 -0.702 1.00 0.00 O ATOM 719 CB GLN A 46 -12.575 5.625 -3.780 1.00 0.00 C ATOM 720 CG GLN A 46 -13.167 7.073 -3.806 1.00 0.00 C ATOM 721 CD GLN A 46 -14.384 7.372 -4.691 1.00 0.00 C ATOM 722 OE1 GLN A 46 -14.374 7.119 -5.885 1.00 0.00 O ATOM 723 NE2 GLN A 46 -15.448 7.931 -4.172 1.00 0.00 N ATOM 0 H GLN A 46 -12.634 3.355 -1.754 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.847 5.516 -2.444 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.850 5.535 -4.589 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.379 4.921 -3.993 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -13.434 7.336 -2.782 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -12.367 7.748 -4.110 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -15.475 8.150 -3.176 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -16.250 8.148 -4.764 1.00 0.00 H new ATOM 732 N PHE A 47 -12.007 7.018 -0.911 1.00 0.00 N ATOM 733 CA PHE A 47 -12.584 7.894 0.103 1.00 0.00 C ATOM 734 C PHE A 47 -12.853 9.267 -0.471 1.00 0.00 C ATOM 735 O PHE A 47 -12.064 9.796 -1.275 1.00 0.00 O ATOM 736 CB PHE A 47 -11.605 8.042 1.308 1.00 0.00 C ATOM 737 CG PHE A 47 -11.943 7.240 2.575 1.00 0.00 C ATOM 738 CD1 PHE A 47 -12.851 7.734 3.515 1.00 0.00 C ATOM 739 CD2 PHE A 47 -11.285 6.030 2.823 1.00 0.00 C ATOM 740 CE1 PHE A 47 -13.103 7.022 4.685 1.00 0.00 C ATOM 741 CE2 PHE A 47 -11.543 5.316 3.988 1.00 0.00 C ATOM 742 CZ PHE A 47 -12.453 5.811 4.919 1.00 0.00 C ATOM 0 H PHE A 47 -11.140 7.375 -1.312 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.521 7.448 0.438 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -10.609 7.749 0.975 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -11.553 9.097 1.577 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -13.358 8.670 3.334 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -10.573 5.649 2.106 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.802 7.408 5.412 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -11.038 4.379 4.171 1.00 0.00 H new ATOM 0 HZ PHE A 47 -12.655 5.256 5.823 1.00 0.00 H new ATOM 752 N ARG A 48 -13.966 9.871 -0.100 1.00 0.00 N ATOM 753 CA ARG A 48 -14.297 11.220 -0.556 1.00 0.00 C ATOM 754 C ARG A 48 -15.354 11.850 0.320 1.00 0.00 C ATOM 755 O ARG A 48 -16.506 11.396 0.380 1.00 0.00 O ATOM 756 CB ARG A 48 -14.760 11.150 -2.038 1.00 0.00 C ATOM 757 CG ARG A 48 -15.398 12.455 -2.584 1.00 0.00 C ATOM 758 CD ARG A 48 -15.327 12.550 -4.114 1.00 0.00 C ATOM 759 NE ARG A 48 -16.239 11.529 -4.689 1.00 0.00 N ATOM 760 CZ ARG A 48 -16.935 11.663 -5.810 1.00 0.00 C ATOM 761 NH1 ARG A 48 -16.883 12.704 -6.587 1.00 0.00 N ATOM 762 NH2 ARG A 48 -17.711 10.694 -6.146 1.00 0.00 N ATOM 0 H ARG A 48 -14.662 9.453 0.517 1.00 0.00 H new ATOM 0 HA ARG A 48 -13.412 11.852 -0.485 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -13.902 10.894 -2.660 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.481 10.339 -2.140 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -16.440 12.506 -2.268 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -14.890 13.314 -2.146 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -15.616 13.547 -4.446 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -14.306 12.383 -4.458 1.00 0.00 H new ATOM 0 HE ARG A 48 -16.339 10.651 -4.179 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -16.277 13.489 -6.348 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -17.449 12.736 -7.435 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -17.773 9.863 -5.558 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -18.264 10.756 -7.001 1.00 0.00 H new ATOM 776 N LYS A 49 -14.974 12.893 1.034 1.00 0.00 N ATOM 777 CA LYS A 49 -15.858 13.522 2.012 1.00 0.00 C ATOM 778 C LYS A 49 -16.123 12.582 3.166 1.00 0.00 C ATOM 779 O LYS A 49 -16.070 11.350 3.052 1.00 0.00 O ATOM 780 CB LYS A 49 -17.182 13.960 1.326 1.00 0.00 C ATOM 781 CG LYS A 49 -17.947 15.050 2.122 1.00 0.00 C ATOM 782 CD LYS A 49 -19.292 15.469 1.521 1.00 0.00 C ATOM 783 CE LYS A 49 -19.051 16.417 0.339 1.00 0.00 C ATOM 784 NZ LYS A 49 -18.094 17.465 0.735 1.00 0.00 N ATOM 0 H LYS A 49 -14.055 13.328 0.958 1.00 0.00 H new ATOM 0 HA LYS A 49 -15.371 14.411 2.413 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -16.960 14.336 0.327 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -17.826 13.089 1.203 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -18.117 14.686 3.135 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -17.312 15.932 2.203 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -19.844 14.590 1.189 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -19.903 15.962 2.277 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.664 15.860 -0.514 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -19.992 16.869 0.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -18.326 18.351 0.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -18.150 17.616 1.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -17.130 17.169 0.481 1.00 0.00 H new ATOM 798 N GLU A 50 -16.438 13.172 4.309 1.00 0.00 N ATOM 799 CA GLU A 50 -16.836 12.422 5.496 1.00 0.00 C ATOM 800 C GLU A 50 -18.323 12.148 5.523 1.00 0.00 C ATOM 801 O GLU A 50 -18.942 12.081 6.607 1.00 0.00 O ATOM 802 CB GLU A 50 -16.388 13.234 6.748 1.00 0.00 C ATOM 803 CG GLU A 50 -15.190 12.666 7.579 1.00 0.00 C ATOM 804 CD GLU A 50 -14.250 13.657 8.269 1.00 0.00 C ATOM 805 OE1 GLU A 50 -13.954 14.741 7.784 1.00 0.00 O ATOM 806 OE2 GLU A 50 -13.777 13.221 9.469 1.00 0.00 O ATOM 0 H GLU A 50 -16.426 14.183 4.442 1.00 0.00 H new ATOM 0 HA GLU A 50 -16.352 11.445 5.487 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -16.125 14.240 6.422 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -17.246 13.329 7.414 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.600 12.008 8.345 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.589 12.046 6.914 1.00 0.00 H new ATOM 813 N LYS A 51 -18.943 11.953 4.376 1.00 0.00 N ATOM 814 CA LYS A 51 -20.383 11.643 4.279 1.00 0.00 C ATOM 815 C LYS A 51 -20.697 10.212 3.846 1.00 0.00 C ATOM 816 O LYS A 51 -21.846 9.759 3.865 1.00 0.00 O ATOM 817 CB LYS A 51 -21.017 12.625 3.257 1.00 0.00 C ATOM 818 CG LYS A 51 -22.387 13.197 3.692 1.00 0.00 C ATOM 819 CD LYS A 51 -23.538 12.928 2.717 1.00 0.00 C ATOM 820 CE LYS A 51 -23.043 13.138 1.280 1.00 0.00 C ATOM 821 NZ LYS A 51 -24.044 13.914 0.526 1.00 0.00 N ATOM 0 H LYS A 51 -18.473 12.002 3.472 1.00 0.00 H new ATOM 0 HA LYS A 51 -20.797 11.751 5.282 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.327 13.452 3.089 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -21.137 12.111 2.303 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -22.648 12.777 4.664 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -22.288 14.274 3.826 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -23.906 11.910 2.842 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -24.373 13.597 2.928 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -22.088 13.664 1.286 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -22.874 12.175 0.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -23.710 14.057 -0.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -24.945 13.395 0.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -24.184 14.838 0.983 1.00 0.00 H new ATOM 835 N GLU A 52 -19.640 9.512 3.477 1.00 0.00 N ATOM 836 CA GLU A 52 -19.752 8.139 2.999 1.00 0.00 C ATOM 837 C GLU A 52 -18.416 7.610 2.532 1.00 0.00 C ATOM 838 O GLU A 52 -17.471 8.363 2.253 1.00 0.00 O ATOM 839 CB GLU A 52 -20.805 8.103 1.855 1.00 0.00 C ATOM 840 CG GLU A 52 -20.368 7.512 0.474 1.00 0.00 C ATOM 841 CD GLU A 52 -21.442 6.881 -0.417 1.00 0.00 C ATOM 842 OE1 GLU A 52 -22.623 7.199 -0.363 1.00 0.00 O ATOM 843 OE2 GLU A 52 -20.959 5.935 -1.270 1.00 0.00 O ATOM 0 H GLU A 52 -18.686 9.872 3.498 1.00 0.00 H new ATOM 0 HA GLU A 52 -20.075 7.492 3.815 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -21.662 7.529 2.208 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -21.151 9.123 1.687 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -19.892 8.311 -0.094 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -19.605 6.756 0.662 1.00 0.00 H new ATOM 850 N THR A 53 -18.309 6.295 2.461 1.00 0.00 N ATOM 851 CA THR A 53 -17.095 5.627 2.000 1.00 0.00 C ATOM 852 C THR A 53 -17.401 4.640 0.899 1.00 0.00 C ATOM 853 O THR A 53 -18.514 4.099 0.798 1.00 0.00 O ATOM 854 CB THR A 53 -16.377 4.913 3.196 1.00 0.00 C ATOM 855 OG1 THR A 53 -17.259 3.996 3.829 1.00 0.00 O ATOM 856 CG2 THR A 53 -15.880 5.825 4.339 1.00 0.00 C ATOM 0 H THR A 53 -19.060 5.655 2.721 1.00 0.00 H new ATOM 0 HA THR A 53 -16.425 6.385 1.593 1.00 0.00 H new ATOM 0 HB THR A 53 -15.513 4.455 2.714 1.00 0.00 H new ATOM 0 HG1 THR A 53 -16.796 3.557 4.573 1.00 0.00 H new ATOM 0 HG21 THR A 53 -15.401 5.218 5.107 1.00 0.00 H new ATOM 0 HG22 THR A 53 -15.162 6.544 3.945 1.00 0.00 H new ATOM 0 HG23 THR A 53 -16.726 6.358 4.773 1.00 0.00 H new ATOM 864 N PHE A 54 -16.417 4.363 0.062 1.00 0.00 N ATOM 865 CA PHE A 54 -16.582 3.412 -1.035 1.00 0.00 C ATOM 866 C PHE A 54 -15.743 2.173 -0.818 1.00 0.00 C ATOM 867 O PHE A 54 -14.517 2.171 -1.013 1.00 0.00 O ATOM 868 CB PHE A 54 -16.162 4.064 -2.389 1.00 0.00 C ATOM 869 CG PHE A 54 -15.984 3.115 -3.584 1.00 0.00 C ATOM 870 CD1 PHE A 54 -17.111 2.662 -4.282 1.00 0.00 C ATOM 871 CD2 PHE A 54 -14.715 2.682 -3.977 1.00 0.00 C ATOM 872 CE1 PHE A 54 -16.967 1.822 -5.381 1.00 0.00 C ATOM 873 CE2 PHE A 54 -14.572 1.836 -5.073 1.00 0.00 C ATOM 874 CZ PHE A 54 -15.697 1.413 -5.780 1.00 0.00 C ATOM 0 H PHE A 54 -15.489 4.783 0.118 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.635 3.132 -1.065 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -16.911 4.810 -2.655 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -15.224 4.596 -2.234 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -18.097 2.967 -3.965 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -13.842 3.005 -3.429 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -17.839 1.487 -5.924 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -13.589 1.507 -5.376 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.583 0.767 -6.638 1.00 0.00 H new ATOM 884 N LYS A 55 -16.403 1.095 -0.436 1.00 0.00 N ATOM 885 CA LYS A 55 -15.766 -0.211 -0.301 1.00 0.00 C ATOM 886 C LYS A 55 -16.793 -1.319 -0.319 1.00 0.00 C ATOM 887 O LYS A 55 -17.666 -1.418 0.555 1.00 0.00 O ATOM 888 CB LYS A 55 -14.935 -0.246 1.012 1.00 0.00 C ATOM 889 CG LYS A 55 -15.747 0.178 2.262 1.00 0.00 C ATOM 890 CD LYS A 55 -15.623 -0.765 3.461 1.00 0.00 C ATOM 891 CE LYS A 55 -14.591 -0.199 4.446 1.00 0.00 C ATOM 892 NZ LYS A 55 -15.268 0.682 5.413 1.00 0.00 N ATOM 0 H LYS A 55 -17.397 1.096 -0.209 1.00 0.00 H new ATOM 0 HA LYS A 55 -15.100 -0.370 -1.149 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -14.549 -1.254 1.163 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -14.073 0.413 0.906 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -15.424 1.174 2.566 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -16.799 0.254 1.986 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -16.589 -0.876 3.953 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -15.319 -1.757 3.128 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.087 -1.012 4.969 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.824 0.357 3.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.569 1.066 6.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -15.729 1.464 4.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -15.984 0.138 5.936 1.00 0.00 H new ATOM 906 N GLU A 56 -16.696 -2.193 -1.308 1.00 0.00 N ATOM 907 CA GLU A 56 -17.592 -3.343 -1.405 1.00 0.00 C ATOM 908 C GLU A 56 -17.305 -4.341 -0.306 1.00 0.00 C ATOM 909 O GLU A 56 -18.187 -4.728 0.475 1.00 0.00 O ATOM 910 CB GLU A 56 -17.439 -3.993 -2.809 1.00 0.00 C ATOM 911 CG GLU A 56 -16.084 -3.791 -3.565 1.00 0.00 C ATOM 912 CD GLU A 56 -15.871 -4.532 -4.887 1.00 0.00 C ATOM 913 OE1 GLU A 56 -16.573 -4.008 -5.929 1.00 0.00 O ATOM 914 OE2 GLU A 56 -15.136 -5.505 -4.994 1.00 0.00 O ATOM 0 H GLU A 56 -16.007 -2.131 -2.057 1.00 0.00 H new ATOM 0 HA GLU A 56 -18.622 -3.010 -1.279 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.605 -5.065 -2.701 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.237 -3.609 -3.444 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -15.968 -2.725 -3.760 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.280 -4.081 -2.889 1.00 0.00 H new ATOM 921 N LYS A 57 -16.053 -4.744 -0.206 1.00 0.00 N ATOM 922 CA LYS A 57 -15.626 -5.779 0.730 1.00 0.00 C ATOM 923 C LYS A 57 -14.207 -5.528 1.192 1.00 0.00 C ATOM 924 O LYS A 57 -13.498 -4.651 0.665 1.00 0.00 O ATOM 925 CB LYS A 57 -15.747 -7.183 0.072 1.00 0.00 C ATOM 926 CG LYS A 57 -16.950 -7.372 -0.889 1.00 0.00 C ATOM 927 CD LYS A 57 -17.622 -8.749 -0.812 1.00 0.00 C ATOM 928 CE LYS A 57 -16.914 -9.721 -1.766 1.00 0.00 C ATOM 929 NZ LYS A 57 -15.906 -10.493 -1.018 1.00 0.00 N ATOM 0 H LYS A 57 -15.295 -4.363 -0.773 1.00 0.00 H new ATOM 0 HA LYS A 57 -16.278 -5.747 1.603 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.829 -7.386 -0.480 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.816 -7.930 0.863 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.695 -6.607 -0.672 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.611 -7.205 -1.911 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.579 -9.129 0.209 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -18.676 -8.666 -1.077 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -17.640 -10.395 -2.221 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.438 -9.170 -2.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.425 -11.152 -1.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.208 -9.843 -0.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.373 -11.029 -0.259 1.00 0.00 H new ATOM 943 N ASP A 58 -13.764 -6.262 2.197 1.00 0.00 N ATOM 944 CA ASP A 58 -12.406 -6.093 2.724 1.00 0.00 C ATOM 945 C ASP A 58 -11.342 -6.580 1.763 1.00 0.00 C ATOM 946 O ASP A 58 -10.154 -6.232 1.887 1.00 0.00 O ATOM 947 CB ASP A 58 -12.268 -6.787 4.104 1.00 0.00 C ATOM 948 CG ASP A 58 -13.380 -6.552 5.134 1.00 0.00 C ATOM 949 OD1 ASP A 58 -13.965 -5.323 5.016 1.00 0.00 O ATOM 950 OD2 ASP A 58 -13.688 -7.378 5.983 1.00 0.00 O ATOM 0 H ASP A 58 -14.315 -6.979 2.668 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.243 -5.023 2.850 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.190 -7.861 3.933 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.326 -6.466 4.548 1.00 0.00 H new ATOM 955 N THR A 59 -11.726 -7.403 0.806 1.00 0.00 N ATOM 956 CA THR A 59 -10.798 -7.856 -0.229 1.00 0.00 C ATOM 957 C THR A 59 -10.102 -6.683 -0.874 1.00 0.00 C ATOM 958 O THR A 59 -9.028 -6.812 -1.480 1.00 0.00 O ATOM 959 CB THR A 59 -11.537 -8.708 -1.318 1.00 0.00 C ATOM 960 OG1 THR A 59 -10.617 -9.144 -2.312 1.00 0.00 O ATOM 961 CG2 THR A 59 -12.658 -7.997 -2.107 1.00 0.00 C ATOM 0 H THR A 59 -12.672 -7.775 0.718 1.00 0.00 H new ATOM 0 HA THR A 59 -10.050 -8.487 0.251 1.00 0.00 H new ATOM 0 HB THR A 59 -11.986 -9.507 -0.728 1.00 0.00 H new ATOM 0 HG1 THR A 59 -11.090 -9.676 -2.985 1.00 0.00 H new ATOM 0 HG21 THR A 59 -13.091 -8.690 -2.828 1.00 0.00 H new ATOM 0 HG22 THR A 59 -13.432 -7.661 -1.417 1.00 0.00 H new ATOM 0 HG23 THR A 59 -12.243 -7.137 -2.633 1.00 0.00 H new ATOM 969 N TYR A 60 -10.728 -5.524 -0.805 1.00 0.00 N ATOM 970 CA TYR A 60 -10.087 -4.283 -1.238 1.00 0.00 C ATOM 971 C TYR A 60 -10.579 -3.113 -0.423 1.00 0.00 C ATOM 972 O TYR A 60 -11.503 -2.383 -0.820 1.00 0.00 O ATOM 973 CB TYR A 60 -10.390 -3.990 -2.737 1.00 0.00 C ATOM 974 CG TYR A 60 -9.715 -4.927 -3.750 1.00 0.00 C ATOM 975 CD1 TYR A 60 -8.328 -5.106 -3.691 1.00 0.00 C ATOM 976 CD2 TYR A 60 -10.459 -5.611 -4.714 1.00 0.00 C ATOM 977 CE1 TYR A 60 -7.695 -5.971 -4.579 1.00 0.00 C ATOM 978 CE2 TYR A 60 -9.824 -6.482 -5.597 1.00 0.00 C ATOM 979 CZ TYR A 60 -8.446 -6.664 -5.525 1.00 0.00 C ATOM 980 OH TYR A 60 -7.830 -7.524 -6.391 1.00 0.00 O ATOM 0 H TYR A 60 -11.679 -5.409 -0.455 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.014 -4.412 -1.097 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -11.469 -4.040 -2.887 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -10.085 -2.967 -2.957 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.747 -4.571 -2.954 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -11.527 -5.465 -4.775 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.624 -6.104 -4.534 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -10.401 -7.016 -6.337 1.00 0.00 H new ATOM 0 HH TYR A 60 -8.499 -7.926 -6.984 1.00 0.00 H new ATOM 990 N LYS A 61 -9.992 -2.917 0.743 1.00 0.00 N ATOM 991 CA LYS A 61 -10.475 -1.915 1.692 1.00 0.00 C ATOM 992 C LYS A 61 -9.480 -0.792 1.887 1.00 0.00 C ATOM 993 O LYS A 61 -8.260 -0.929 1.724 1.00 0.00 O ATOM 994 CB LYS A 61 -10.802 -2.613 3.042 1.00 0.00 C ATOM 995 CG LYS A 61 -10.077 -2.011 4.271 1.00 0.00 C ATOM 996 CD LYS A 61 -10.035 -2.924 5.501 1.00 0.00 C ATOM 997 CE LYS A 61 -10.479 -2.132 6.738 1.00 0.00 C ATOM 998 NZ LYS A 61 -10.328 -2.974 7.938 1.00 0.00 N ATOM 0 H LYS A 61 -9.176 -3.438 1.062 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.379 -1.459 1.287 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.878 -2.563 3.211 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.540 -3.668 2.963 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.055 -1.761 3.986 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.569 -1.078 4.545 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.688 -3.784 5.352 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.027 -3.311 5.646 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.880 -1.227 6.838 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.517 -1.818 6.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.628 -2.439 8.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.917 -3.826 7.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.332 -3.253 8.043 1.00 0.00 H new ATOM 1012 N LEU A 62 -10.008 0.375 2.225 1.00 0.00 N ATOM 1013 CA LEU A 62 -9.230 1.599 2.381 1.00 0.00 C ATOM 1014 C LEU A 62 -8.925 1.859 3.837 1.00 0.00 C ATOM 1015 O LEU A 62 -9.696 1.453 4.735 1.00 0.00 O ATOM 1016 CB LEU A 62 -9.993 2.805 1.756 1.00 0.00 C ATOM 1017 CG LEU A 62 -9.209 3.742 0.798 1.00 0.00 C ATOM 1018 CD1 LEU A 62 -8.022 4.434 1.488 1.00 0.00 C ATOM 1019 CD2 LEU A 62 -8.715 2.952 -0.421 1.00 0.00 C ATOM 0 H LEU A 62 -11.004 0.502 2.402 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.283 1.475 1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.851 2.412 1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -10.384 3.412 2.572 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.898 4.524 0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.509 5.077 0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.386 5.036 2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.328 3.681 1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.166 3.617 -1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.059 2.147 -0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.569 2.530 -0.952 1.00 0.00 H new ATOM 1031 N PHE A 63 -7.815 2.505 4.136 1.00 0.00 N ATOM 1032 CA PHE A 63 -7.516 2.939 5.501 1.00 0.00 C ATOM 1033 C PHE A 63 -7.357 4.441 5.556 1.00 0.00 C ATOM 1034 O PHE A 63 -7.094 5.106 4.541 1.00 0.00 O ATOM 1035 CB PHE A 63 -6.204 2.280 6.028 1.00 0.00 C ATOM 1036 CG PHE A 63 -6.258 0.774 6.331 1.00 0.00 C ATOM 1037 CD1 PHE A 63 -7.475 0.124 6.548 1.00 0.00 C ATOM 1038 CD2 PHE A 63 -5.062 0.055 6.453 1.00 0.00 C ATOM 1039 CE1 PHE A 63 -7.497 -1.234 6.856 1.00 0.00 C ATOM 1040 CE2 PHE A 63 -5.086 -1.303 6.748 1.00 0.00 C ATOM 1041 CZ PHE A 63 -6.305 -1.950 6.941 1.00 0.00 C ATOM 0 H PHE A 63 -7.097 2.745 3.453 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.351 2.630 6.130 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.419 2.450 5.292 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.905 2.799 6.939 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -8.401 0.676 6.477 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.116 0.559 6.317 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.439 -1.733 7.029 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -4.162 -1.856 6.828 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.326 -3.008 7.157 1.00 0.00 H new ATOM 1051 N LYS A 64 -7.529 5.009 6.735 1.00 0.00 N ATOM 1052 CA LYS A 64 -7.412 6.455 6.917 1.00 0.00 C ATOM 1053 C LYS A 64 -6.023 6.945 6.582 1.00 0.00 C ATOM 1054 O LYS A 64 -5.828 8.114 6.194 1.00 0.00 O ATOM 1055 CB LYS A 64 -7.788 6.826 8.379 1.00 0.00 C ATOM 1056 CG LYS A 64 -8.396 8.245 8.512 1.00 0.00 C ATOM 1057 CD LYS A 64 -8.451 8.794 9.941 1.00 0.00 C ATOM 1058 CE LYS A 64 -9.801 8.429 10.572 1.00 0.00 C ATOM 1059 NZ LYS A 64 -9.693 7.116 11.232 1.00 0.00 N ATOM 0 H LYS A 64 -7.751 4.494 7.587 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.102 6.947 6.231 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.501 6.095 8.760 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.898 6.759 9.004 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.815 8.932 7.897 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -9.407 8.230 8.105 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.635 8.380 10.534 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.321 9.876 9.932 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.094 9.189 11.296 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.577 8.401 9.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.568 6.576 11.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.887 6.593 10.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.548 7.252 12.253 1.00 0.00 H new ATOM 1073 N ASN A 65 -5.025 6.091 6.712 1.00 0.00 N ATOM 1074 CA ASN A 65 -3.632 6.507 6.543 1.00 0.00 C ATOM 1075 C ASN A 65 -3.145 6.288 5.131 1.00 0.00 C ATOM 1076 O ASN A 65 -1.932 6.127 4.886 1.00 0.00 O ATOM 1077 CB ASN A 65 -2.742 5.723 7.554 1.00 0.00 C ATOM 1078 CG ASN A 65 -2.802 4.193 7.485 1.00 0.00 C ATOM 1079 OD1 ASN A 65 -3.511 3.600 6.685 1.00 0.00 O ATOM 1080 ND2 ASN A 65 -2.041 3.475 8.338 1.00 0.00 N ATOM 0 H ASN A 65 -5.146 5.103 6.934 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.565 7.577 6.739 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.707 6.030 7.404 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.022 6.029 8.562 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.064 2.456 8.308 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.443 3.952 9.013 1.00 0.00 H new ATOM 1086 N GLY A 66 -4.044 6.283 4.164 1.00 0.00 N ATOM 1087 CA GLY A 66 -3.666 6.164 2.760 1.00 0.00 C ATOM 1088 C GLY A 66 -3.228 4.768 2.387 1.00 0.00 C ATOM 1089 O GLY A 66 -2.771 4.539 1.242 1.00 0.00 O ATOM 0 H GLY A 66 -5.049 6.360 4.323 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.511 6.454 2.135 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.857 6.863 2.546 1.00 0.00 H new ATOM 1093 N THR A 67 -3.303 3.807 3.287 1.00 0.00 N ATOM 1094 CA THR A 67 -3.011 2.413 2.956 1.00 0.00 C ATOM 1095 C THR A 67 -4.252 1.671 2.519 1.00 0.00 C ATOM 1096 O THR A 67 -5.330 1.780 3.122 1.00 0.00 O ATOM 1097 CB THR A 67 -2.350 1.687 4.178 1.00 0.00 C ATOM 1098 OG1 THR A 67 -0.958 1.970 4.234 1.00 0.00 O ATOM 1099 CG2 THR A 67 -2.432 0.145 4.184 1.00 0.00 C ATOM 0 H THR A 67 -3.565 3.961 4.261 1.00 0.00 H new ATOM 0 HA THR A 67 -2.312 2.414 2.120 1.00 0.00 H new ATOM 0 HB THR A 67 -2.926 2.071 5.019 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.561 1.511 5.003 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.941 -0.242 5.077 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.477 -0.164 4.182 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.936 -0.249 3.297 1.00 0.00 H new ATOM 1107 N LEU A 68 -4.126 0.918 1.444 1.00 0.00 N ATOM 1108 CA LEU A 68 -5.169 -0.006 0.998 1.00 0.00 C ATOM 1109 C LEU A 68 -4.807 -1.417 1.412 1.00 0.00 C ATOM 1110 O LEU A 68 -3.605 -1.740 1.546 1.00 0.00 O ATOM 1111 CB LEU A 68 -5.382 0.115 -0.536 1.00 0.00 C ATOM 1112 CG LEU A 68 -6.214 -0.941 -1.311 1.00 0.00 C ATOM 1113 CD1 LEU A 68 -6.354 -0.590 -2.807 1.00 0.00 C ATOM 1114 CD2 LEU A 68 -5.581 -2.332 -1.177 1.00 0.00 C ATOM 0 H LEU A 68 -3.298 0.924 0.849 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.115 0.252 1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.846 1.084 -0.719 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.394 0.143 -0.995 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.209 -0.942 -0.867 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.944 -1.358 -3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.852 0.374 -2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.365 -0.538 -3.263 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.179 -3.058 -1.727 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.570 -2.312 -1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.544 -2.615 -0.125 1.00 0.00 H new ATOM 1126 N LYS A 69 -5.774 -2.278 1.658 1.00 0.00 N ATOM 1127 CA LYS A 69 -5.492 -3.655 2.067 1.00 0.00 C ATOM 1128 C LYS A 69 -6.291 -4.637 1.245 1.00 0.00 C ATOM 1129 O LYS A 69 -7.461 -4.408 0.904 1.00 0.00 O ATOM 1130 CB LYS A 69 -5.787 -3.825 3.583 1.00 0.00 C ATOM 1131 CG LYS A 69 -4.894 -4.892 4.267 1.00 0.00 C ATOM 1132 CD LYS A 69 -5.653 -5.960 5.060 1.00 0.00 C ATOM 1133 CE LYS A 69 -5.037 -6.088 6.460 1.00 0.00 C ATOM 1134 NZ LYS A 69 -4.661 -7.492 6.705 1.00 0.00 N ATOM 0 H LYS A 69 -6.767 -2.056 1.584 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.437 -3.864 1.891 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.644 -2.867 4.083 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.834 -4.100 3.714 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.294 -5.386 3.503 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.200 -4.387 4.939 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.707 -5.691 5.137 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.605 -6.917 4.541 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.160 -5.446 6.543 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.749 -5.754 7.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.336 -7.921 7.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.676 -8.017 5.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.705 -7.529 7.112 1.00 0.00 H new ATOM 1148 N ILE A 70 -5.674 -5.761 0.931 1.00 0.00 N ATOM 1149 CA ILE A 70 -6.310 -6.796 0.119 1.00 0.00 C ATOM 1150 C ILE A 70 -6.271 -8.128 0.828 1.00 0.00 C ATOM 1151 O ILE A 70 -5.200 -8.680 1.124 1.00 0.00 O ATOM 1152 CB ILE A 70 -5.673 -6.885 -1.329 1.00 0.00 C ATOM 1153 CG1 ILE A 70 -5.357 -5.506 -1.993 1.00 0.00 C ATOM 1154 CG2 ILE A 70 -6.543 -7.713 -2.325 1.00 0.00 C ATOM 1155 CD1 ILE A 70 -4.107 -5.466 -2.897 1.00 0.00 C ATOM 0 H ILE A 70 -4.724 -5.987 1.227 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.355 -6.517 -0.016 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.727 -7.394 -1.143 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.220 -5.203 -2.585 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.235 -4.764 -1.204 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.056 -7.738 -3.300 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.657 -8.730 -1.950 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.525 -7.250 -2.422 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.984 -4.462 -3.304 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.226 -5.731 -2.312 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.226 -6.177 -3.715 1.00 0.00 H new ATOM 1167 N LYS A 71 -7.438 -8.663 1.135 1.00 0.00 N ATOM 1168 CA LYS A 71 -7.532 -9.998 1.722 1.00 0.00 C ATOM 1169 C LYS A 71 -7.592 -11.053 0.641 1.00 0.00 C ATOM 1170 O LYS A 71 -8.134 -10.824 -0.452 1.00 0.00 O ATOM 1171 CB LYS A 71 -8.771 -10.084 2.654 1.00 0.00 C ATOM 1172 CG LYS A 71 -8.726 -11.295 3.622 1.00 0.00 C ATOM 1173 CD LYS A 71 -10.001 -11.520 4.440 1.00 0.00 C ATOM 1174 CE LYS A 71 -9.785 -10.995 5.866 1.00 0.00 C ATOM 1175 NZ LYS A 71 -10.125 -9.562 5.916 1.00 0.00 N ATOM 0 H LYS A 71 -8.335 -8.200 0.990 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.639 -10.183 2.319 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.844 -9.165 3.236 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.672 -10.148 2.044 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.520 -12.196 3.043 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.891 -11.160 4.309 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.842 -11.006 3.974 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.249 -12.581 4.464 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.405 -11.552 6.568 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.748 -11.145 6.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.028 -9.216 6.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.482 -9.031 5.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.105 -9.426 5.596 1.00 0.00 H new ATOM 1189 N HIS A 72 -7.076 -12.228 0.948 1.00 0.00 N ATOM 1190 CA HIS A 72 -6.924 -13.294 -0.041 1.00 0.00 C ATOM 1191 C HIS A 72 -5.992 -12.860 -1.147 1.00 0.00 C ATOM 1192 O HIS A 72 -6.250 -11.917 -1.913 1.00 0.00 O ATOM 1193 CB HIS A 72 -8.332 -13.596 -0.582 1.00 0.00 C ATOM 1194 CG HIS A 72 -8.432 -14.974 -1.168 1.00 0.00 C ATOM 1195 ND1 HIS A 72 -7.702 -16.050 -0.681 1.00 0.00 N flip ATOM 1196 CD2 HIS A 72 -9.237 -15.347 -2.242 1.00 0.00 C flip ATOM 1197 CE1 HIS A 72 -8.017 -17.151 -1.435 1.00 0.00 C flip ATOM 1198 NE2 HIS A 72 -8.916 -16.653 -2.325 1.00 0.00 N flip ATOM 0 H HIS A 72 -6.750 -12.476 1.882 1.00 0.00 H new ATOM 0 HA HIS A 72 -6.486 -14.188 0.403 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -9.059 -13.492 0.224 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.592 -12.860 -1.343 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -9.921 -14.759 -2.836 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -7.644 -18.161 -1.345 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -9.336 -17.252 -3.036 1.00 0.00 H new ATOM 1207 N LEU A 73 -4.883 -13.564 -1.279 1.00 0.00 N ATOM 1208 CA LEU A 73 -3.784 -13.122 -2.129 1.00 0.00 C ATOM 1209 C LEU A 73 -3.106 -14.276 -2.830 1.00 0.00 C ATOM 1210 O LEU A 73 -2.072 -14.774 -2.366 1.00 0.00 O ATOM 1211 CB LEU A 73 -2.739 -12.334 -1.280 1.00 0.00 C ATOM 1212 CG LEU A 73 -1.596 -11.577 -2.009 1.00 0.00 C ATOM 1213 CD1 LEU A 73 -0.518 -12.507 -2.590 1.00 0.00 C ATOM 1214 CD2 LEU A 73 -2.174 -10.696 -3.125 1.00 0.00 C ATOM 0 H LEU A 73 -4.715 -14.452 -0.806 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.206 -12.472 -2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.284 -11.607 -0.678 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.278 -13.039 -0.588 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.107 -10.961 -1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.249 -11.911 -3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.065 -13.086 -1.785 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.973 -13.185 -3.312 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.364 -10.170 -3.630 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.704 -11.321 -3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.865 -9.971 -2.695 1.00 0.00 H new ATOM 1226 N LYS A 74 -3.684 -14.735 -3.922 1.00 0.00 N ATOM 1227 CA LYS A 74 -3.065 -15.707 -4.815 1.00 0.00 C ATOM 1228 C LYS A 74 -2.791 -15.079 -6.164 1.00 0.00 C ATOM 1229 O LYS A 74 -2.894 -13.862 -6.370 1.00 0.00 O ATOM 1230 CB LYS A 74 -3.973 -16.962 -4.997 1.00 0.00 C ATOM 1231 CG LYS A 74 -5.482 -16.674 -4.806 1.00 0.00 C ATOM 1232 CD LYS A 74 -6.398 -17.894 -4.678 1.00 0.00 C ATOM 1233 CE LYS A 74 -5.645 -19.047 -4.001 1.00 0.00 C ATOM 1234 NZ LYS A 74 -4.971 -19.861 -5.028 1.00 0.00 N ATOM 0 H LYS A 74 -4.613 -14.441 -4.223 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.124 -16.023 -4.364 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.814 -17.372 -5.994 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.666 -17.728 -4.285 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.602 -16.061 -3.912 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -5.825 -16.076 -5.651 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.283 -17.635 -4.096 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.744 -18.204 -5.664 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.913 -18.653 -3.295 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.339 -19.664 -3.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.051 -20.184 -4.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.561 -20.686 -5.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.825 -19.289 -5.884 1.00 0.00 H new ATOM 1248 N THR A 75 -2.411 -15.933 -7.105 1.00 0.00 N ATOM 1249 CA THR A 75 -2.291 -15.516 -8.499 1.00 0.00 C ATOM 1250 C THR A 75 -3.511 -14.745 -8.961 1.00 0.00 C ATOM 1251 O THR A 75 -3.445 -13.872 -9.838 1.00 0.00 O ATOM 1252 CB THR A 75 -2.055 -16.759 -9.422 1.00 0.00 C ATOM 1253 OG1 THR A 75 -0.885 -17.461 -9.026 1.00 0.00 O ATOM 1254 CG2 THR A 75 -1.841 -16.467 -10.923 1.00 0.00 C ATOM 0 H THR A 75 -2.182 -16.912 -6.932 1.00 0.00 H new ATOM 0 HA THR A 75 -1.431 -14.850 -8.570 1.00 0.00 H new ATOM 0 HB THR A 75 -2.983 -17.318 -9.303 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.754 -18.235 -9.612 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.688 -17.404 -11.458 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.718 -15.959 -11.324 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.965 -15.831 -11.049 1.00 0.00 H new ATOM 1262 N ASP A 76 -4.642 -15.052 -8.353 1.00 0.00 N ATOM 1263 CA ASP A 76 -5.928 -14.499 -8.768 1.00 0.00 C ATOM 1264 C ASP A 76 -6.123 -13.102 -8.229 1.00 0.00 C ATOM 1265 O ASP A 76 -6.528 -12.174 -8.948 1.00 0.00 O ATOM 1266 CB ASP A 76 -7.081 -15.447 -8.344 1.00 0.00 C ATOM 1267 CG ASP A 76 -7.401 -16.609 -9.295 1.00 0.00 C ATOM 1268 OD1 ASP A 76 -7.656 -16.449 -10.480 1.00 0.00 O ATOM 1269 OD2 ASP A 76 -7.353 -17.828 -8.678 1.00 0.00 O ATOM 0 H ASP A 76 -4.700 -15.690 -7.559 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.938 -14.422 -9.855 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.837 -15.864 -7.367 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.984 -14.850 -8.220 1.00 0.00 H new ATOM 1274 N ASP A 77 -5.859 -12.925 -6.948 1.00 0.00 N ATOM 1275 CA ASP A 77 -5.972 -11.615 -6.310 1.00 0.00 C ATOM 1276 C ASP A 77 -4.768 -10.742 -6.585 1.00 0.00 C ATOM 1277 O ASP A 77 -4.673 -9.610 -6.054 1.00 0.00 O ATOM 1278 CB ASP A 77 -6.215 -11.788 -4.787 1.00 0.00 C ATOM 1279 CG ASP A 77 -7.671 -11.694 -4.307 1.00 0.00 C ATOM 1280 OD1 ASP A 77 -8.365 -12.859 -4.487 1.00 0.00 O ATOM 1281 OD2 ASP A 77 -8.142 -10.687 -3.800 1.00 0.00 O ATOM 0 H ASP A 77 -5.563 -13.673 -6.321 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.829 -11.100 -6.744 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.820 -12.759 -4.487 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.634 -11.031 -4.261 1.00 0.00 H new ATOM 1286 N GLN A 78 -3.815 -11.199 -7.373 1.00 0.00 N ATOM 1287 CA GLN A 78 -2.662 -10.376 -7.754 1.00 0.00 C ATOM 1288 C GLN A 78 -2.992 -9.469 -8.916 1.00 0.00 C ATOM 1289 O GLN A 78 -3.220 -9.914 -10.050 1.00 0.00 O ATOM 1290 CB GLN A 78 -1.488 -11.320 -8.096 1.00 0.00 C ATOM 1291 CG GLN A 78 -0.485 -10.825 -9.191 1.00 0.00 C ATOM 1292 CD GLN A 78 -0.012 -11.812 -10.267 1.00 0.00 C ATOM 1293 OE1 GLN A 78 1.121 -12.267 -10.252 1.00 0.00 O ATOM 1294 NE2 GLN A 78 -0.837 -12.198 -11.207 1.00 0.00 N ATOM 0 H GLN A 78 -3.808 -12.139 -7.768 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.384 -9.727 -6.924 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.927 -11.510 -7.181 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.902 -12.275 -8.420 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -0.945 -9.978 -9.700 1.00 0.00 H new ATOM 0 HG3 GLN A 78 0.400 -10.446 -8.680 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.787 -11.828 -11.235 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.530 -12.869 -11.912 1.00 0.00 H new ATOM 1303 N ASP A 79 -3.002 -8.173 -8.659 1.00 0.00 N ATOM 1304 CA ASP A 79 -3.259 -7.174 -9.693 1.00 0.00 C ATOM 1305 C ASP A 79 -2.346 -5.980 -9.538 1.00 0.00 C ATOM 1306 O ASP A 79 -1.674 -5.798 -8.512 1.00 0.00 O ATOM 1307 CB ASP A 79 -4.753 -6.760 -9.679 1.00 0.00 C ATOM 1308 CG ASP A 79 -5.788 -7.883 -9.843 1.00 0.00 C ATOM 1309 OD1 ASP A 79 -6.268 -8.490 -8.897 1.00 0.00 O ATOM 1310 OD2 ASP A 79 -6.127 -8.105 -11.148 1.00 0.00 O ATOM 0 H ASP A 79 -2.833 -7.780 -7.733 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.041 -7.617 -10.665 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.954 -6.248 -8.738 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.911 -6.034 -10.477 1.00 0.00 H new ATOM 1315 N ILE A 80 -2.310 -5.138 -10.554 1.00 0.00 N ATOM 1316 CA ILE A 80 -1.580 -3.874 -10.495 1.00 0.00 C ATOM 1317 C ILE A 80 -2.441 -2.788 -9.889 1.00 0.00 C ATOM 1318 O ILE A 80 -3.672 -2.771 -10.048 1.00 0.00 O ATOM 1319 CB ILE A 80 -1.011 -3.474 -11.917 1.00 0.00 C ATOM 1320 CG1 ILE A 80 -0.384 -4.657 -12.725 1.00 0.00 C ATOM 1321 CG2 ILE A 80 0.045 -2.327 -11.848 1.00 0.00 C ATOM 1322 CD1 ILE A 80 -0.176 -4.411 -14.233 1.00 0.00 C ATOM 0 H ILE A 80 -2.782 -5.305 -11.443 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.718 -4.002 -9.841 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.902 -3.134 -12.445 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.581 -4.903 -12.281 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.023 -5.532 -12.605 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.398 -2.097 -12.853 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.411 -1.438 -11.411 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.886 -2.644 -11.231 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.264 -5.298 -14.689 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.136 -4.200 -14.703 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.492 -3.561 -14.374 1.00 0.00 H new ATOM 1334 N TYR A 81 -1.816 -1.850 -9.202 1.00 0.00 N ATOM 1335 CA TYR A 81 -2.526 -0.829 -8.433 1.00 0.00 C ATOM 1336 C TYR A 81 -1.850 0.518 -8.519 1.00 0.00 C ATOM 1337 O TYR A 81 -0.649 0.633 -8.799 1.00 0.00 O ATOM 1338 CB TYR A 81 -2.588 -1.239 -6.929 1.00 0.00 C ATOM 1339 CG TYR A 81 -3.227 -2.606 -6.654 1.00 0.00 C ATOM 1340 CD1 TYR A 81 -4.555 -2.840 -7.022 1.00 0.00 C ATOM 1341 CD2 TYR A 81 -2.486 -3.625 -6.054 1.00 0.00 C ATOM 1342 CE1 TYR A 81 -5.136 -4.084 -6.788 1.00 0.00 C ATOM 1343 CE2 TYR A 81 -3.071 -4.866 -5.814 1.00 0.00 C ATOM 1344 CZ TYR A 81 -4.394 -5.093 -6.181 1.00 0.00 C ATOM 1345 OH TYR A 81 -4.961 -6.314 -5.949 1.00 0.00 O ATOM 0 H TYR A 81 -0.800 -1.769 -9.157 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.526 -0.752 -8.860 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.575 -1.241 -6.527 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.146 -0.478 -6.383 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -5.132 -2.055 -7.489 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.457 -3.451 -5.775 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -6.161 -4.265 -7.077 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -2.498 -5.651 -5.343 1.00 0.00 H new ATOM 0 HH TYR A 81 -5.930 -6.256 -6.087 1.00 0.00 H new ATOM 1355 N LYS A 82 -2.628 1.562 -8.300 1.00 0.00 N ATOM 1356 CA LYS A 82 -2.118 2.930 -8.291 1.00 0.00 C ATOM 1357 C LYS A 82 -2.842 3.763 -7.261 1.00 0.00 C ATOM 1358 O LYS A 82 -4.086 3.794 -7.209 1.00 0.00 O ATOM 1359 CB LYS A 82 -2.270 3.546 -9.709 1.00 0.00 C ATOM 1360 CG LYS A 82 -1.680 4.973 -9.830 1.00 0.00 C ATOM 1361 CD LYS A 82 -2.667 6.039 -10.315 1.00 0.00 C ATOM 1362 CE LYS A 82 -1.946 6.995 -11.275 1.00 0.00 C ATOM 1363 NZ LYS A 82 -2.543 8.338 -11.171 1.00 0.00 N ATOM 0 H LYS A 82 -3.630 1.491 -8.123 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.062 2.917 -8.021 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -1.779 2.896 -10.433 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.327 3.575 -9.972 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.292 5.274 -8.857 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.833 4.944 -10.516 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -3.511 5.568 -10.818 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.070 6.592 -9.466 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -0.884 7.038 -11.033 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.025 6.628 -12.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.055 8.986 -11.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.551 8.290 -11.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.445 8.687 -10.196 1.00 0.00 H new ATOM 1377 N VAL A 83 -2.100 4.439 -6.403 1.00 0.00 N ATOM 1378 CA VAL A 83 -2.692 5.159 -5.278 1.00 0.00 C ATOM 1379 C VAL A 83 -2.620 6.656 -5.472 1.00 0.00 C ATOM 1380 O VAL A 83 -1.549 7.278 -5.517 1.00 0.00 O ATOM 1381 CB VAL A 83 -1.975 4.738 -3.933 1.00 0.00 C ATOM 1382 CG1 VAL A 83 -0.427 4.860 -3.907 1.00 0.00 C ATOM 1383 CG2 VAL A 83 -2.467 5.517 -2.689 1.00 0.00 C ATOM 0 H VAL A 83 -1.084 4.508 -6.459 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.747 4.890 -5.222 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.255 3.685 -3.895 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.053 4.543 -2.933 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.001 4.226 -4.684 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.141 5.896 -4.086 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.928 5.171 -1.807 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.285 6.582 -2.831 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.535 5.347 -2.552 1.00 0.00 H new ATOM 1393 N SER A 84 -3.785 7.272 -5.568 1.00 0.00 N ATOM 1394 CA SER A 84 -3.936 8.723 -5.602 1.00 0.00 C ATOM 1395 C SER A 84 -4.703 9.190 -4.384 1.00 0.00 C ATOM 1396 O SER A 84 -5.824 8.722 -4.116 1.00 0.00 O ATOM 1397 CB SER A 84 -4.607 9.181 -6.921 1.00 0.00 C ATOM 1398 OG SER A 84 -4.910 8.091 -7.798 1.00 0.00 O ATOM 0 H SER A 84 -4.672 6.771 -5.626 1.00 0.00 H new ATOM 0 HA SER A 84 -2.948 9.184 -5.575 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.525 9.720 -6.688 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.948 9.882 -7.434 1.00 0.00 H new ATOM 0 HG SER A 84 -5.333 8.434 -8.613 1.00 0.00 H new ATOM 1404 N ILE A 85 -4.115 10.082 -3.611 1.00 0.00 N ATOM 1405 CA ILE A 85 -4.720 10.490 -2.337 1.00 0.00 C ATOM 1406 C ILE A 85 -4.751 11.998 -2.250 1.00 0.00 C ATOM 1407 O ILE A 85 -3.695 12.665 -2.276 1.00 0.00 O ATOM 1408 CB ILE A 85 -4.006 9.788 -1.112 1.00 0.00 C ATOM 1409 CG1 ILE A 85 -3.390 8.381 -1.441 1.00 0.00 C ATOM 1410 CG2 ILE A 85 -4.941 9.651 0.132 1.00 0.00 C ATOM 1411 CD1 ILE A 85 -2.209 8.388 -2.432 1.00 0.00 C ATOM 0 H ILE A 85 -3.230 10.539 -3.830 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.755 10.150 -2.293 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.183 10.463 -0.878 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.057 7.923 -0.510 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.177 7.745 -1.846 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.399 9.163 0.942 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.263 10.641 0.456 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -5.814 9.054 -0.133 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.860 7.367 -2.589 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.534 8.810 -3.383 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.397 8.991 -2.026 1.00 0.00 H new ATOM 1423 N TYR A 86 -5.927 12.584 -2.168 1.00 0.00 N ATOM 1424 CA TYR A 86 -6.106 14.019 -2.366 1.00 0.00 C ATOM 1425 C TYR A 86 -6.561 14.747 -1.124 1.00 0.00 C ATOM 1426 O TYR A 86 -6.765 14.182 -0.041 1.00 0.00 O ATOM 1427 CB TYR A 86 -7.191 14.254 -3.471 1.00 0.00 C ATOM 1428 CG TYR A 86 -6.988 13.471 -4.773 1.00 0.00 C ATOM 1429 CD1 TYR A 86 -5.709 13.062 -5.166 1.00 0.00 C ATOM 1430 CD2 TYR A 86 -8.088 13.146 -5.571 1.00 0.00 C ATOM 1431 CE1 TYR A 86 -5.540 12.317 -6.331 1.00 0.00 C ATOM 1432 CE2 TYR A 86 -7.917 12.411 -6.739 1.00 0.00 C ATOM 1433 CZ TYR A 86 -6.644 11.988 -7.113 1.00 0.00 C ATOM 1434 OH TYR A 86 -6.477 11.253 -8.254 1.00 0.00 O ATOM 0 H TYR A 86 -6.792 12.083 -1.962 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.130 14.412 -2.649 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.166 13.994 -3.059 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -7.219 15.318 -3.708 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -4.851 13.324 -4.565 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.077 13.468 -5.279 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -4.553 11.995 -6.628 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -8.770 12.169 -7.355 1.00 0.00 H new ATOM 0 HH TYR A 86 -7.347 11.110 -8.681 1.00 0.00 H new ATOM 1444 N ASP A 87 -6.753 16.050 -1.279 1.00 0.00 N ATOM 1445 CA ASP A 87 -7.233 16.917 -0.209 1.00 0.00 C ATOM 1446 C ASP A 87 -8.717 17.172 -0.340 1.00 0.00 C ATOM 1447 O ASP A 87 -9.408 16.642 -1.222 1.00 0.00 O ATOM 1448 CB ASP A 87 -6.418 18.238 -0.183 1.00 0.00 C ATOM 1449 CG ASP A 87 -6.247 18.968 -1.523 1.00 0.00 C ATOM 1450 OD1 ASP A 87 -7.434 19.403 -2.044 1.00 0.00 O ATOM 1451 OD2 ASP A 87 -5.159 19.155 -2.047 1.00 0.00 O ATOM 0 H ASP A 87 -6.579 16.540 -2.157 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.081 16.412 0.745 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.898 18.921 0.518 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.427 18.019 0.214 1.00 0.00 H new ATOM 1456 N THR A 88 -9.236 18.000 0.551 1.00 0.00 N ATOM 1457 CA THR A 88 -10.671 18.252 0.652 1.00 0.00 C ATOM 1458 C THR A 88 -11.228 18.919 -0.586 1.00 0.00 C ATOM 1459 O THR A 88 -12.402 18.697 -0.956 1.00 0.00 O ATOM 1460 CB THR A 88 -10.983 19.127 1.917 1.00 0.00 C ATOM 1461 OG1 THR A 88 -10.147 20.277 1.943 1.00 0.00 O ATOM 1462 CG2 THR A 88 -10.763 18.459 3.292 1.00 0.00 C ATOM 0 H THR A 88 -8.677 18.519 1.228 1.00 0.00 H new ATOM 0 HA THR A 88 -11.159 17.282 0.748 1.00 0.00 H new ATOM 0 HB THR A 88 -12.047 19.335 1.800 1.00 0.00 H new ATOM 0 HG1 THR A 88 -10.354 20.814 2.736 1.00 0.00 H new ATOM 0 HG21 THR A 88 -11.013 19.165 4.084 1.00 0.00 H new ATOM 0 HG22 THR A 88 -11.401 17.579 3.375 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.719 18.160 3.389 1.00 0.00 H new ATOM 1470 N LYS A 89 -10.451 19.751 -1.251 1.00 0.00 N ATOM 1471 CA LYS A 89 -10.962 20.569 -2.352 1.00 0.00 C ATOM 1472 C LYS A 89 -10.737 19.933 -3.705 1.00 0.00 C ATOM 1473 O LYS A 89 -10.423 20.624 -4.695 1.00 0.00 O ATOM 1474 CB LYS A 89 -10.292 21.972 -2.291 1.00 0.00 C ATOM 1475 CG LYS A 89 -10.887 22.886 -1.191 1.00 0.00 C ATOM 1476 CD LYS A 89 -10.092 24.165 -0.916 1.00 0.00 C ATOM 1477 CE LYS A 89 -11.012 25.201 -0.256 1.00 0.00 C ATOM 1478 NZ LYS A 89 -10.195 26.213 0.436 1.00 0.00 N ATOM 0 H LYS A 89 -9.459 19.884 -1.053 1.00 0.00 H new ATOM 0 HA LYS A 89 -12.042 20.659 -2.232 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.224 21.850 -2.114 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.401 22.462 -3.259 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -11.902 23.161 -1.477 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.961 22.315 -0.265 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.245 23.948 -0.266 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.686 24.562 -1.847 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.640 25.678 -1.009 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.680 24.711 0.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.818 26.915 0.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.614 25.751 1.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.575 26.688 -0.251 1.00 0.00 H new ATOM 1492 N GLY A 90 -10.906 18.629 -3.806 1.00 0.00 N ATOM 1493 CA GLY A 90 -10.858 17.942 -5.095 1.00 0.00 C ATOM 1494 C GLY A 90 -9.565 18.223 -5.826 1.00 0.00 C ATOM 1495 O GLY A 90 -9.505 18.282 -7.063 1.00 0.00 O ATOM 0 H GLY A 90 -11.079 18.016 -3.010 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.963 16.868 -4.940 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.701 18.260 -5.709 1.00 0.00 H new ATOM 1499 N LYS A 91 -8.502 18.410 -5.066 1.00 0.00 N ATOM 1500 CA LYS A 91 -7.156 18.571 -5.602 1.00 0.00 C ATOM 1501 C LYS A 91 -6.472 17.233 -5.793 1.00 0.00 C ATOM 1502 O LYS A 91 -7.068 16.150 -5.748 1.00 0.00 O ATOM 1503 CB LYS A 91 -6.335 19.479 -4.639 1.00 0.00 C ATOM 1504 CG LYS A 91 -6.723 20.976 -4.726 1.00 0.00 C ATOM 1505 CD LYS A 91 -5.809 21.831 -5.609 1.00 0.00 C ATOM 1506 CE LYS A 91 -6.668 22.670 -6.564 1.00 0.00 C ATOM 1507 NZ LYS A 91 -6.007 23.964 -6.811 1.00 0.00 N ATOM 0 H LYS A 91 -8.545 18.455 -4.048 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.219 19.040 -6.584 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.478 19.133 -3.615 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.274 19.372 -4.867 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.742 21.050 -5.105 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.726 21.394 -3.719 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.191 22.482 -4.990 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.131 21.193 -6.176 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.811 22.137 -7.504 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.657 22.831 -6.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.589 24.533 -7.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.892 24.472 -5.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.073 23.801 -7.238 1.00 0.00 H new ATOM 1521 N ASN A 92 -5.182 17.312 -6.082 1.00 0.00 N ATOM 1522 CA ASN A 92 -4.308 16.145 -6.109 1.00 0.00 C ATOM 1523 C ASN A 92 -2.943 16.494 -5.559 1.00 0.00 C ATOM 1524 O ASN A 92 -2.155 17.232 -6.167 1.00 0.00 O ATOM 1525 CB ASN A 92 -4.212 15.595 -7.562 1.00 0.00 C ATOM 1526 CG ASN A 92 -3.262 16.304 -8.533 1.00 0.00 C ATOM 1527 OD1 ASN A 92 -2.454 15.695 -9.219 1.00 0.00 O ATOM 1528 ND2 ASN A 92 -3.302 17.607 -8.612 1.00 0.00 N ATOM 0 H ASN A 92 -4.709 18.188 -6.305 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.728 15.365 -5.474 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -3.913 14.548 -7.505 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -5.212 15.617 -7.995 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -2.666 18.100 -9.239 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.970 18.132 -8.047 1.00 0.00 H new ATOM 1535 N VAL A 93 -2.653 15.986 -4.376 1.00 0.00 N ATOM 1536 CA VAL A 93 -1.439 16.355 -3.646 1.00 0.00 C ATOM 1537 C VAL A 93 -0.332 15.335 -3.817 1.00 0.00 C ATOM 1538 O VAL A 93 0.860 15.657 -3.906 1.00 0.00 O ATOM 1539 CB VAL A 93 -1.787 16.543 -2.116 1.00 0.00 C ATOM 1540 CG1 VAL A 93 -2.819 17.655 -1.777 1.00 0.00 C ATOM 1541 CG2 VAL A 93 -2.325 15.260 -1.436 1.00 0.00 C ATOM 0 H VAL A 93 -3.243 15.310 -3.891 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.068 17.292 -4.061 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.808 16.830 -1.731 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.976 17.689 -0.699 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.441 18.619 -2.119 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -3.764 17.438 -2.275 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.541 15.467 -0.388 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.237 14.937 -1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.576 14.471 -1.503 1.00 0.00 H new ATOM 1551 N LEU A 94 -0.738 14.077 -3.888 1.00 0.00 N ATOM 1552 CA LEU A 94 0.203 12.963 -3.924 1.00 0.00 C ATOM 1553 C LEU A 94 -0.322 11.832 -4.779 1.00 0.00 C ATOM 1554 O LEU A 94 -1.533 11.598 -4.890 1.00 0.00 O ATOM 1555 CB LEU A 94 0.523 12.471 -2.484 1.00 0.00 C ATOM 1556 CG LEU A 94 1.142 11.057 -2.313 1.00 0.00 C ATOM 1557 CD1 LEU A 94 2.414 11.067 -1.448 1.00 0.00 C ATOM 1558 CD2 LEU A 94 0.110 10.099 -1.702 1.00 0.00 C ATOM 0 H LEU A 94 -1.719 13.799 -3.922 1.00 0.00 H new ATOM 0 HA LEU A 94 1.129 13.317 -4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.205 13.190 -2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.402 12.502 -1.908 1.00 0.00 H new ATOM 0 HG LEU A 94 1.427 10.714 -3.308 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.804 10.053 -1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.165 11.706 -1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.176 11.449 -0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.555 9.111 -1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.201 10.473 -0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.758 10.032 -2.358 1.00 0.00 H new ATOM 1570 N GLU A 95 0.593 11.126 -5.418 1.00 0.00 N ATOM 1571 CA GLU A 95 0.249 10.073 -6.369 1.00 0.00 C ATOM 1572 C GLU A 95 1.391 9.098 -6.529 1.00 0.00 C ATOM 1573 O GLU A 95 2.576 9.465 -6.480 1.00 0.00 O ATOM 1574 CB GLU A 95 -0.120 10.737 -7.725 1.00 0.00 C ATOM 1575 CG GLU A 95 0.836 11.854 -8.261 1.00 0.00 C ATOM 1576 CD GLU A 95 0.661 12.331 -9.704 1.00 0.00 C ATOM 1577 OE1 GLU A 95 1.194 11.779 -10.658 1.00 0.00 O ATOM 1578 OE2 GLU A 95 -0.142 13.424 -9.827 1.00 0.00 O ATOM 0 H GLU A 95 1.596 11.263 -5.296 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.604 9.504 -5.999 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.179 9.953 -8.480 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.118 11.164 -7.631 1.00 0.00 H new ATOM 0 HG2 GLU A 95 0.731 12.722 -7.610 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.860 11.495 -8.152 1.00 0.00 H new ATOM 1585 N LYS A 96 1.063 7.834 -6.721 1.00 0.00 N ATOM 1586 CA LYS A 96 2.070 6.776 -6.757 1.00 0.00 C ATOM 1587 C LYS A 96 1.592 5.591 -7.563 1.00 0.00 C ATOM 1588 O LYS A 96 0.406 5.455 -7.893 1.00 0.00 O ATOM 1589 CB LYS A 96 2.424 6.353 -5.305 1.00 0.00 C ATOM 1590 CG LYS A 96 3.805 6.874 -4.832 1.00 0.00 C ATOM 1591 CD LYS A 96 5.006 6.091 -5.368 1.00 0.00 C ATOM 1592 CE LYS A 96 5.824 6.996 -6.300 1.00 0.00 C ATOM 1593 NZ LYS A 96 6.759 7.806 -5.500 1.00 0.00 N ATOM 0 H LYS A 96 0.106 7.509 -6.855 1.00 0.00 H new ATOM 0 HA LYS A 96 2.965 7.159 -7.247 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.653 6.723 -4.629 1.00 0.00 H new ATOM 0 HB3 LYS A 96 2.412 5.265 -5.238 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.906 7.917 -5.132 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.832 6.852 -3.743 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.627 5.744 -4.542 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.667 5.206 -5.906 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.374 6.391 -7.021 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.159 7.645 -6.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.314 8.420 -6.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.223 8.393 -4.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.401 7.178 -4.975 1.00 0.00 H new ATOM 1607 N ILE A 97 2.516 4.701 -7.880 1.00 0.00 N ATOM 1608 CA ILE A 97 2.204 3.496 -8.642 1.00 0.00 C ATOM 1609 C ILE A 97 2.655 2.255 -7.905 1.00 0.00 C ATOM 1610 O ILE A 97 3.710 2.215 -7.255 1.00 0.00 O ATOM 1611 CB ILE A 97 2.802 3.570 -10.106 1.00 0.00 C ATOM 1612 CG1 ILE A 97 2.816 5.002 -10.731 1.00 0.00 C ATOM 1613 CG2 ILE A 97 2.081 2.613 -11.105 1.00 0.00 C ATOM 1614 CD1 ILE A 97 3.523 5.135 -12.096 1.00 0.00 C ATOM 0 H ILE A 97 3.499 4.788 -7.620 1.00 0.00 H new ATOM 0 HA ILE A 97 1.121 3.433 -8.745 1.00 0.00 H new ATOM 0 HB ILE A 97 3.834 3.252 -9.962 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.785 5.338 -10.843 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.298 5.680 -10.027 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.535 2.708 -12.092 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.179 1.584 -10.758 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.025 2.877 -11.164 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.471 6.170 -12.433 1.00 0.00 H new ATOM 0 HD12 ILE A 97 4.567 4.838 -11.996 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.031 4.491 -12.825 1.00 0.00 H new ATOM 1626 N PHE A 98 1.844 1.216 -7.983 1.00 0.00 N ATOM 1627 CA PHE A 98 2.050 -0.015 -7.223 1.00 0.00 C ATOM 1628 C PHE A 98 1.791 -1.239 -8.070 1.00 0.00 C ATOM 1629 O PHE A 98 1.375 -1.136 -9.245 1.00 0.00 O ATOM 1630 CB PHE A 98 1.084 -0.033 -5.997 1.00 0.00 C ATOM 1631 CG PHE A 98 1.480 0.857 -4.810 1.00 0.00 C ATOM 1632 CD1 PHE A 98 2.049 2.115 -5.048 1.00 0.00 C ATOM 1633 CD2 PHE A 98 1.221 0.458 -3.497 1.00 0.00 C ATOM 1634 CE1 PHE A 98 2.409 2.935 -3.985 1.00 0.00 C ATOM 1635 CE2 PHE A 98 1.568 1.288 -2.433 1.00 0.00 C ATOM 1636 CZ PHE A 98 2.184 2.514 -2.676 1.00 0.00 C ATOM 0 H PHE A 98 1.016 1.197 -8.578 1.00 0.00 H new ATOM 0 HA PHE A 98 3.089 -0.038 -6.894 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.093 0.269 -6.337 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.000 -1.060 -5.642 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.209 2.449 -6.062 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.751 -0.495 -3.306 1.00 0.00 H new ATOM 0 HE1 PHE A 98 2.862 3.897 -4.173 1.00 0.00 H new ATOM 0 HE2 PHE A 98 1.359 0.981 -1.419 1.00 0.00 H new ATOM 0 HZ PHE A 98 2.487 3.139 -1.849 1.00 0.00 H new ATOM 1646 N ASP A 99 2.003 -2.421 -7.522 1.00 0.00 N ATOM 1647 CA ASP A 99 1.852 -3.658 -8.295 1.00 0.00 C ATOM 1648 C ASP A 99 1.842 -4.871 -7.397 1.00 0.00 C ATOM 1649 O ASP A 99 2.855 -5.250 -6.791 1.00 0.00 O ATOM 1650 CB ASP A 99 2.954 -3.753 -9.382 1.00 0.00 C ATOM 1651 CG ASP A 99 2.561 -4.432 -10.702 1.00 0.00 C ATOM 1652 OD1 ASP A 99 1.865 -5.437 -10.751 1.00 0.00 O ATOM 1653 OD2 ASP A 99 3.064 -3.793 -11.800 1.00 0.00 O ATOM 0 H ASP A 99 2.279 -2.560 -6.550 1.00 0.00 H new ATOM 0 HA ASP A 99 0.886 -3.632 -8.799 1.00 0.00 H new ATOM 0 HB2 ASP A 99 3.298 -2.744 -9.607 1.00 0.00 H new ATOM 0 HB3 ASP A 99 3.802 -4.292 -8.961 1.00 0.00 H new ATOM 1658 N LEU A 100 0.692 -5.513 -7.306 1.00 0.00 N ATOM 1659 CA LEU A 100 0.559 -6.744 -6.531 1.00 0.00 C ATOM 1660 C LEU A 100 0.947 -7.947 -7.356 1.00 0.00 C ATOM 1661 O LEU A 100 0.372 -8.237 -8.414 1.00 0.00 O ATOM 1662 CB LEU A 100 -0.888 -6.890 -5.981 1.00 0.00 C ATOM 1663 CG LEU A 100 -1.083 -7.468 -4.553 1.00 0.00 C ATOM 1664 CD1 LEU A 100 -2.462 -8.135 -4.439 1.00 0.00 C ATOM 1665 CD2 LEU A 100 0.013 -8.473 -4.160 1.00 0.00 C ATOM 0 H LEU A 100 -0.169 -5.205 -7.759 1.00 0.00 H new ATOM 0 HA LEU A 100 1.242 -6.688 -5.683 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.353 -5.905 -6.006 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.444 -7.523 -6.673 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.013 -6.629 -3.861 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.590 -8.537 -3.434 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.240 -7.398 -4.636 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.536 -8.944 -5.166 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.177 -8.843 -3.152 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.008 -9.309 -4.860 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.985 -7.981 -4.189 1.00 0.00 H new ATOM 1677 N LYS A 101 1.952 -8.671 -6.879 1.00 0.00 N ATOM 1678 CA LYS A 101 2.523 -9.782 -7.632 1.00 0.00 C ATOM 1679 C LYS A 101 2.448 -11.096 -6.878 1.00 0.00 C ATOM 1680 O LYS A 101 2.202 -11.176 -5.668 1.00 0.00 O ATOM 1681 CB LYS A 101 4.011 -9.481 -7.986 1.00 0.00 C ATOM 1682 CG LYS A 101 4.212 -8.185 -8.807 1.00 0.00 C ATOM 1683 CD LYS A 101 5.673 -7.835 -9.106 1.00 0.00 C ATOM 1684 CE LYS A 101 5.732 -6.904 -10.325 1.00 0.00 C ATOM 1685 NZ LYS A 101 6.966 -6.101 -10.268 1.00 0.00 N ATOM 0 H LYS A 101 2.390 -8.509 -5.972 1.00 0.00 H new ATOM 0 HA LYS A 101 1.930 -9.884 -8.541 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.586 -9.407 -7.063 1.00 0.00 H new ATOM 0 HB3 LYS A 101 4.417 -10.322 -8.548 1.00 0.00 H new ATOM 0 HG2 LYS A 101 3.676 -8.283 -9.751 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.757 -7.355 -8.266 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.127 -7.351 -8.242 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.244 -8.743 -9.299 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.708 -7.489 -11.245 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.860 -6.250 -10.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 7.008 -5.470 -11.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.971 -5.533 -9.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 7.792 -6.733 -10.274 1.00 0.00 H new ATOM 1699 N ILE A 102 2.691 -12.165 -7.614 1.00 0.00 N ATOM 1700 CA ILE A 102 2.880 -13.502 -7.060 1.00 0.00 C ATOM 1701 C ILE A 102 4.075 -14.156 -7.718 1.00 0.00 C ATOM 1702 O ILE A 102 4.359 -13.948 -8.906 1.00 0.00 O ATOM 1703 CB ILE A 102 1.588 -14.409 -7.161 1.00 0.00 C ATOM 1704 CG1 ILE A 102 0.311 -13.795 -6.500 1.00 0.00 C ATOM 1705 CG2 ILE A 102 1.803 -15.834 -6.558 1.00 0.00 C ATOM 1706 CD1 ILE A 102 -0.147 -14.459 -5.184 1.00 0.00 C ATOM 0 H ILE A 102 2.765 -12.133 -8.631 1.00 0.00 H new ATOM 0 HA ILE A 102 3.070 -13.393 -5.992 1.00 0.00 H new ATOM 0 HB ILE A 102 1.418 -14.475 -8.236 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.497 -12.738 -6.307 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.508 -13.849 -7.217 1.00 0.00 H new ATOM 0 HG21 ILE A 102 0.884 -16.412 -6.655 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.607 -16.338 -7.094 1.00 0.00 H new ATOM 0 HG23 ILE A 102 2.068 -15.747 -5.504 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.040 -13.955 -4.813 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.373 -15.510 -5.366 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.648 -14.382 -4.442 1.00 0.00 H new ATOM 1718 N GLN A 103 4.771 -14.982 -6.962 1.00 0.00 N ATOM 1719 CA GLN A 103 6.051 -15.536 -7.394 1.00 0.00 C ATOM 1720 C GLN A 103 5.963 -17.023 -7.649 1.00 0.00 C ATOM 1721 O GLN A 103 5.223 -17.769 -6.993 1.00 0.00 O ATOM 1722 CB GLN A 103 7.113 -15.215 -6.317 1.00 0.00 C ATOM 1723 CG GLN A 103 8.243 -16.278 -6.117 1.00 0.00 C ATOM 1724 CD GLN A 103 8.541 -16.804 -4.708 1.00 0.00 C ATOM 1725 OE1 GLN A 103 9.660 -16.721 -4.227 1.00 0.00 O ATOM 1726 NE2 GLN A 103 7.585 -17.346 -3.997 1.00 0.00 N ATOM 0 H GLN A 103 4.473 -15.290 -6.036 1.00 0.00 H new ATOM 0 HA GLN A 103 6.336 -15.079 -8.342 1.00 0.00 H new ATOM 0 HB2 GLN A 103 7.580 -14.263 -6.570 1.00 0.00 H new ATOM 0 HB3 GLN A 103 6.602 -15.076 -5.364 1.00 0.00 H new ATOM 0 HG2 GLN A 103 7.998 -17.137 -6.742 1.00 0.00 H new ATOM 0 HG3 GLN A 103 9.166 -15.851 -6.509 1.00 0.00 H new ATOM 0 HE21 GLN A 103 6.644 -17.424 -4.383 1.00 0.00 H new ATOM 0 HE22 GLN A 103 7.781 -17.691 -3.057 1.00 0.00 H new