USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 854 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 48 CYS SG : rot 180:sc= -0.147 USER MOD Set 1.2: A 54 GLN : amide:sc= 0 X(o=-0.15,f=-0.55) USER MOD Set 2.1: A 46 THR OG1 : rot 170:sc= -0.0387 USER MOD Set 2.2: A 56 GLN : amide:sc= 0.159 X(o=0.12,f=-0.37) USER MOD Single : A 3 LYS NZ :NH3+ -122:sc= 0.0737 (180deg=-0.0265) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HE2:sc= 0.135 K(o=0.14,f=-0.77) USER MOD Single : A 10 TYR OH : rot 172:sc= 1.45 USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.209 K(o=-0.21,f=-2.6!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 3:sc= 0.197 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 166:sc= -0.024 (180deg=-0.237) USER MOD Single : A 40 SER OG : rot 35:sc= -0.494 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0913) USER MOD Single : A 52 THR OG1 : rot -60:sc= 1.14 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HE2:sc= -2.3 K(o=-2.3,f=-4.5!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -133:sc= 0.428 (180deg=-0.419) USER MOD Single : A 86 MET CE :methyl -145:sc= -0.736 (180deg=-3.37!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0.485 X(o=0.48,f=0) USER MOD Single : A 92 THR OG1 : rot -92:sc= 0.358 USER MOD Single : A 95 TYR OH : rot 30:sc= 0.0349 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 88:sc= 0.197 USER MOD Single : A 112 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0249) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 42 N LYS A 3 -0.650 18.951 -5.268 1.00 53.34 N ATOM 43 CA LYS A 3 -1.468 17.929 -4.547 1.00 31.22 C ATOM 44 C LYS A 3 -1.061 17.849 -3.048 1.00 71.34 C ATOM 45 O LYS A 3 -0.064 18.442 -2.614 1.00 4.24 O ATOM 46 CB LYS A 3 -1.445 16.516 -5.226 1.00 24.42 C ATOM 47 CG LYS A 3 -2.829 15.837 -5.274 1.00 3.13 C ATOM 48 CD LYS A 3 -2.817 14.439 -5.913 1.00 24.12 C ATOM 49 CE LYS A 3 -2.411 14.448 -7.399 1.00 33.42 C ATOM 50 NZ LYS A 3 -3.379 15.195 -8.250 1.00 24.12 N ATOM 0 HA LYS A 3 -2.503 18.267 -4.608 1.00 31.22 H new ATOM 0 HB2 LYS A 3 -1.062 16.615 -6.242 1.00 24.42 H new ATOM 0 HB3 LYS A 3 -0.751 15.872 -4.685 1.00 24.42 H new ATOM 0 HG2 LYS A 3 -3.219 15.758 -4.259 1.00 3.13 H new ATOM 0 HG3 LYS A 3 -3.516 16.474 -5.831 1.00 3.13 H new ATOM 0 HD2 LYS A 3 -2.128 13.801 -5.360 1.00 24.12 H new ATOM 0 HD3 LYS A 3 -3.808 13.996 -5.818 1.00 24.12 H new ATOM 0 HE2 LYS A 3 -1.422 14.896 -7.500 1.00 33.42 H new ATOM 0 HE3 LYS A 3 -2.334 13.422 -7.757 1.00 33.42 H new ATOM 0 HZ1 LYS A 3 -3.749 14.565 -8.990 1.00 24.12 H new ATOM 0 HZ2 LYS A 3 -4.166 15.538 -7.662 1.00 24.12 H new ATOM 0 HZ3 LYS A 3 -2.899 16.005 -8.693 1.00 24.12 H new ATOM 64 N GLU A 4 -1.852 17.118 -2.262 1.00 30.14 N ATOM 65 CA GLU A 4 -1.661 17.007 -0.805 1.00 2.02 C ATOM 66 C GLU A 4 -1.251 15.567 -0.419 1.00 53.02 C ATOM 67 O GLU A 4 -1.805 14.608 -0.941 1.00 4.35 O ATOM 68 CB GLU A 4 -2.979 17.432 -0.113 1.00 22.31 C ATOM 69 CG GLU A 4 -2.950 17.371 1.415 1.00 54.30 C ATOM 70 CD GLU A 4 -4.245 17.888 2.064 1.00 13.12 C ATOM 71 OE1 GLU A 4 -5.221 17.113 2.171 1.00 20.20 O ATOM 72 OE2 GLU A 4 -4.290 19.073 2.470 1.00 61.52 O ATOM 0 H GLU A 4 -2.646 16.583 -2.613 1.00 30.14 H new ATOM 0 HA GLU A 4 -0.854 17.662 -0.476 1.00 2.02 H new ATOM 0 HB2 GLU A 4 -3.221 18.450 -0.417 1.00 22.31 H new ATOM 0 HB3 GLU A 4 -3.785 16.792 -0.473 1.00 22.31 H new ATOM 0 HG2 GLU A 4 -2.780 16.341 1.728 1.00 54.30 H new ATOM 0 HG3 GLU A 4 -2.108 17.959 1.780 1.00 54.30 H new ATOM 79 N LYS A 5 -0.260 15.428 0.473 1.00 44.34 N ATOM 80 CA LYS A 5 0.173 14.113 0.990 1.00 51.13 C ATOM 81 C LYS A 5 -0.731 13.683 2.173 1.00 2.30 C ATOM 82 O LYS A 5 -1.063 14.501 3.039 1.00 35.23 O ATOM 83 CB LYS A 5 1.648 14.174 1.468 1.00 51.42 C ATOM 84 CG LYS A 5 2.238 12.796 1.871 1.00 72.54 C ATOM 85 CD LYS A 5 3.488 12.892 2.775 1.00 65.01 C ATOM 86 CE LYS A 5 3.184 13.531 4.146 1.00 2.31 C ATOM 87 NZ LYS A 5 4.340 13.446 5.069 1.00 43.23 N ATOM 0 H LYS A 5 0.263 16.215 0.857 1.00 44.34 H new ATOM 0 HA LYS A 5 0.090 13.385 0.183 1.00 51.13 H new ATOM 0 HB2 LYS A 5 2.259 14.601 0.673 1.00 51.42 H new ATOM 0 HB3 LYS A 5 1.715 14.850 2.320 1.00 51.42 H new ATOM 0 HG2 LYS A 5 1.471 12.220 2.388 1.00 72.54 H new ATOM 0 HG3 LYS A 5 2.496 12.244 0.967 1.00 72.54 H new ATOM 0 HD2 LYS A 5 3.899 11.894 2.927 1.00 65.01 H new ATOM 0 HD3 LYS A 5 4.254 13.478 2.267 1.00 65.01 H new ATOM 0 HE2 LYS A 5 2.909 14.576 4.005 1.00 2.31 H new ATOM 0 HE3 LYS A 5 2.325 13.033 4.595 1.00 2.31 H new ATOM 0 HZ1 LYS A 5 4.092 13.887 5.978 1.00 43.23 H new ATOM 0 HZ2 LYS A 5 4.587 12.448 5.225 1.00 43.23 H new ATOM 0 HZ3 LYS A 5 5.153 13.943 4.653 1.00 43.23 H new ATOM 101 N ILE A 6 -1.107 12.397 2.207 1.00 23.23 N ATOM 102 CA ILE A 6 -1.925 11.799 3.285 1.00 62.21 C ATOM 103 C ILE A 6 -1.237 10.511 3.829 1.00 42.23 C ATOM 104 O ILE A 6 -0.331 9.954 3.194 1.00 23.40 O ATOM 105 CB ILE A 6 -3.405 11.485 2.801 1.00 0.50 C ATOM 106 CG1 ILE A 6 -3.435 10.322 1.755 1.00 74.34 C ATOM 107 CG2 ILE A 6 -4.094 12.763 2.237 1.00 62.51 C ATOM 108 CD1 ILE A 6 -4.810 9.993 1.184 1.00 22.25 C ATOM 0 H ILE A 6 -0.851 11.730 1.479 1.00 23.23 H new ATOM 0 HA ILE A 6 -1.999 12.529 4.091 1.00 62.21 H new ATOM 0 HB ILE A 6 -3.970 11.155 3.673 1.00 0.50 H new ATOM 0 HG12 ILE A 6 -2.770 10.580 0.931 1.00 74.34 H new ATOM 0 HG13 ILE A 6 -3.030 9.425 2.223 1.00 74.34 H new ATOM 0 HG21 ILE A 6 -5.106 12.518 1.913 1.00 62.51 H new ATOM 0 HG22 ILE A 6 -4.136 13.526 3.014 1.00 62.51 H new ATOM 0 HG23 ILE A 6 -3.523 13.140 1.389 1.00 62.51 H new ATOM 0 HD11 ILE A 6 -4.721 9.174 0.470 1.00 22.25 H new ATOM 0 HD12 ILE A 6 -5.479 9.698 1.993 1.00 22.25 H new ATOM 0 HD13 ILE A 6 -5.215 10.871 0.681 1.00 22.25 H new ATOM 120 N HIS A 7 -1.681 10.053 5.011 1.00 70.32 N ATOM 121 CA HIS A 7 -1.138 8.852 5.691 1.00 32.01 C ATOM 122 C HIS A 7 -2.287 8.042 6.330 1.00 33.03 C ATOM 123 O HIS A 7 -2.956 8.512 7.257 1.00 71.12 O ATOM 124 CB HIS A 7 -0.039 9.221 6.731 1.00 13.20 C ATOM 125 CG HIS A 7 -0.396 10.338 7.675 1.00 31.33 C ATOM 126 ND1 HIS A 7 -1.089 10.143 8.851 1.00 14.44 N ATOM 127 CD2 HIS A 7 -0.147 11.670 7.608 1.00 62.00 C ATOM 128 CE1 HIS A 7 -1.254 11.297 9.462 1.00 15.15 C ATOM 129 NE2 HIS A 7 -0.691 12.237 8.733 1.00 51.42 N ATOM 0 H HIS A 7 -2.433 10.505 5.531 1.00 70.32 H new ATOM 0 HA HIS A 7 -0.652 8.225 4.943 1.00 32.01 H new ATOM 0 HB2 HIS A 7 0.196 8.333 7.318 1.00 13.20 H new ATOM 0 HB3 HIS A 7 0.868 9.497 6.194 1.00 13.20 H new ATOM 0 HD1 HIS A 7 -1.423 9.242 9.195 1.00 14.44 H new ATOM 0 HD2 HIS A 7 0.380 12.186 6.819 1.00 62.00 H new ATOM 0 HE1 HIS A 7 -1.765 11.447 10.402 1.00 15.15 H new ATOM 138 N LEU A 8 -2.527 6.832 5.806 1.00 13.35 N ATOM 139 CA LEU A 8 -3.623 5.952 6.245 1.00 51.52 C ATOM 140 C LEU A 8 -3.057 4.883 7.205 1.00 11.52 C ATOM 141 O LEU A 8 -2.208 4.085 6.809 1.00 73.25 O ATOM 142 CB LEU A 8 -4.309 5.270 5.019 1.00 61.31 C ATOM 143 CG LEU A 8 -4.894 6.207 3.904 1.00 15.22 C ATOM 144 CD1 LEU A 8 -5.751 7.342 4.501 1.00 2.33 C ATOM 145 CD2 LEU A 8 -3.800 6.739 2.951 1.00 74.55 C ATOM 0 H LEU A 8 -1.961 6.431 5.058 1.00 13.35 H new ATOM 0 HA LEU A 8 -4.375 6.547 6.762 1.00 51.52 H new ATOM 0 HB2 LEU A 8 -3.582 4.606 4.553 1.00 61.31 H new ATOM 0 HB3 LEU A 8 -5.120 4.644 5.392 1.00 61.31 H new ATOM 0 HG LEU A 8 -5.559 5.595 3.295 1.00 15.22 H new ATOM 0 HD11 LEU A 8 -6.137 7.968 3.697 1.00 2.33 H new ATOM 0 HD12 LEU A 8 -6.584 6.914 5.059 1.00 2.33 H new ATOM 0 HD13 LEU A 8 -5.139 7.947 5.169 1.00 2.33 H new ATOM 0 HD21 LEU A 8 -4.255 7.382 2.198 1.00 74.55 H new ATOM 0 HD22 LEU A 8 -3.067 7.310 3.521 1.00 74.55 H new ATOM 0 HD23 LEU A 8 -3.305 5.900 2.461 1.00 74.55 H new ATOM 157 N GLU A 9 -3.519 4.889 8.465 1.00 13.03 N ATOM 158 CA GLU A 9 -2.975 4.027 9.542 1.00 23.42 C ATOM 159 C GLU A 9 -4.040 3.021 10.046 1.00 21.33 C ATOM 160 O GLU A 9 -5.089 3.405 10.573 1.00 53.44 O ATOM 161 CB GLU A 9 -2.428 4.930 10.682 1.00 74.11 C ATOM 162 CG GLU A 9 -1.236 5.814 10.236 1.00 13.03 C ATOM 163 CD GLU A 9 -0.855 6.908 11.241 1.00 54.41 C ATOM 164 OE1 GLU A 9 -0.136 6.615 12.216 1.00 11.22 O ATOM 165 OE2 GLU A 9 -1.270 8.077 11.051 1.00 2.24 O ATOM 0 H GLU A 9 -4.282 5.491 8.773 1.00 13.03 H new ATOM 0 HA GLU A 9 -2.153 3.426 9.153 1.00 23.42 H new ATOM 0 HB2 GLU A 9 -3.231 5.570 11.048 1.00 74.11 H new ATOM 0 HB3 GLU A 9 -2.115 4.302 11.517 1.00 74.11 H new ATOM 0 HG2 GLU A 9 -0.369 5.176 10.064 1.00 13.03 H new ATOM 0 HG3 GLU A 9 -1.482 6.282 9.282 1.00 13.03 H new ATOM 172 N TYR A 10 -3.743 1.723 9.850 1.00 20.34 N ATOM 173 CA TYR A 10 -4.665 0.597 10.109 1.00 24.21 C ATOM 174 C TYR A 10 -4.181 -0.220 11.331 1.00 22.20 C ATOM 175 O TYR A 10 -3.002 -0.596 11.393 1.00 0.13 O ATOM 176 CB TYR A 10 -4.710 -0.350 8.866 1.00 40.32 C ATOM 177 CG TYR A 10 -4.797 0.348 7.493 1.00 1.22 C ATOM 178 CD1 TYR A 10 -3.652 0.865 6.884 1.00 12.34 C ATOM 179 CD2 TYR A 10 -6.002 0.475 6.797 1.00 74.41 C ATOM 180 CE1 TYR A 10 -3.700 1.476 5.657 1.00 72.15 C ATOM 181 CE2 TYR A 10 -6.049 1.088 5.557 1.00 23.55 C ATOM 182 CZ TYR A 10 -4.892 1.586 4.995 1.00 65.11 C ATOM 183 OH TYR A 10 -4.922 2.196 3.761 1.00 75.40 O ATOM 0 H TYR A 10 -2.835 1.419 9.499 1.00 20.34 H new ATOM 0 HA TYR A 10 -5.657 1.003 10.306 1.00 24.21 H new ATOM 0 HB2 TYR A 10 -3.818 -0.977 8.878 1.00 40.32 H new ATOM 0 HB3 TYR A 10 -5.568 -1.014 8.970 1.00 40.32 H new ATOM 0 HD1 TYR A 10 -2.703 0.782 7.393 1.00 12.34 H new ATOM 0 HD2 TYR A 10 -6.911 0.089 7.234 1.00 74.41 H new ATOM 0 HE1 TYR A 10 -2.797 1.870 5.214 1.00 72.15 H new ATOM 0 HE2 TYR A 10 -6.988 1.176 5.031 1.00 23.55 H new ATOM 0 HH TYR A 10 -5.810 2.084 3.362 1.00 75.40 H new ATOM 193 N LEU A 11 -5.081 -0.497 12.295 1.00 62.14 N ATOM 194 CA LEU A 11 -4.776 -1.423 13.411 1.00 24.21 C ATOM 195 C LEU A 11 -5.125 -2.890 13.027 1.00 1.02 C ATOM 196 O LEU A 11 -6.288 -3.291 12.995 1.00 13.40 O ATOM 197 CB LEU A 11 -5.452 -0.967 14.762 1.00 1.32 C ATOM 198 CG LEU A 11 -6.787 -0.144 14.694 1.00 34.34 C ATOM 199 CD1 LEU A 11 -7.946 -0.955 14.091 1.00 41.01 C ATOM 200 CD2 LEU A 11 -7.172 0.407 16.089 1.00 21.33 C ATOM 0 H LEU A 11 -6.019 -0.098 12.327 1.00 62.14 H new ATOM 0 HA LEU A 11 -3.702 -1.387 13.591 1.00 24.21 H new ATOM 0 HB2 LEU A 11 -5.644 -1.862 15.354 1.00 1.32 H new ATOM 0 HB3 LEU A 11 -4.724 -0.371 15.312 1.00 1.32 H new ATOM 0 HG LEU A 11 -6.603 0.698 14.026 1.00 34.34 H new ATOM 0 HD11 LEU A 11 -8.846 -0.341 14.066 1.00 41.01 H new ATOM 0 HD12 LEU A 11 -7.687 -1.261 13.077 1.00 41.01 H new ATOM 0 HD13 LEU A 11 -8.127 -1.840 14.701 1.00 41.01 H new ATOM 0 HD21 LEU A 11 -8.100 0.973 16.013 1.00 21.33 H new ATOM 0 HD22 LEU A 11 -7.308 -0.422 16.783 1.00 21.33 H new ATOM 0 HD23 LEU A 11 -6.379 1.059 16.454 1.00 21.33 H new ATOM 212 N LEU A 12 -4.092 -3.675 12.704 1.00 34.03 N ATOM 213 CA LEU A 12 -4.224 -5.121 12.431 1.00 71.53 C ATOM 214 C LEU A 12 -3.545 -5.954 13.526 1.00 40.51 C ATOM 215 O LEU A 12 -2.808 -5.424 14.347 1.00 70.21 O ATOM 216 CB LEU A 12 -3.648 -5.443 11.024 1.00 2.51 C ATOM 217 CG LEU A 12 -4.593 -5.079 9.835 1.00 42.22 C ATOM 218 CD1 LEU A 12 -3.882 -5.218 8.478 1.00 62.45 C ATOM 219 CD2 LEU A 12 -5.875 -5.947 9.890 1.00 14.51 C ATOM 0 H LEU A 12 -3.136 -3.330 12.623 1.00 34.03 H new ATOM 0 HA LEU A 12 -5.281 -5.389 12.439 1.00 71.53 H new ATOM 0 HB2 LEU A 12 -2.707 -4.907 10.900 1.00 2.51 H new ATOM 0 HB3 LEU A 12 -3.418 -6.507 10.975 1.00 2.51 H new ATOM 0 HG LEU A 12 -4.877 -4.032 9.936 1.00 42.22 H new ATOM 0 HD11 LEU A 12 -4.573 -4.956 7.677 1.00 62.45 H new ATOM 0 HD12 LEU A 12 -3.021 -4.550 8.448 1.00 62.45 H new ATOM 0 HD13 LEU A 12 -3.547 -6.247 8.346 1.00 62.45 H new ATOM 0 HD21 LEU A 12 -6.527 -5.686 9.057 1.00 14.51 H new ATOM 0 HD22 LEU A 12 -5.604 -7.001 9.822 1.00 14.51 H new ATOM 0 HD23 LEU A 12 -6.397 -5.766 10.830 1.00 14.51 H new ATOM 231 N ASN A 13 -3.829 -7.260 13.530 1.00 41.45 N ATOM 232 CA ASN A 13 -3.270 -8.217 14.505 1.00 72.03 C ATOM 233 C ASN A 13 -2.202 -9.120 13.827 1.00 3.22 C ATOM 234 O ASN A 13 -2.150 -9.198 12.598 1.00 45.04 O ATOM 235 CB ASN A 13 -4.440 -9.054 15.101 1.00 53.32 C ATOM 236 CG ASN A 13 -4.062 -9.892 16.322 1.00 45.52 C ATOM 237 OD1 ASN A 13 -3.115 -9.587 17.040 1.00 75.03 O ATOM 238 ND2 ASN A 13 -4.814 -10.940 16.582 1.00 54.13 N ATOM 0 H ASN A 13 -4.458 -7.692 12.853 1.00 41.45 H new ATOM 0 HA ASN A 13 -2.769 -7.685 15.313 1.00 72.03 H new ATOM 0 HB2 ASN A 13 -5.250 -8.378 15.376 1.00 53.32 H new ATOM 0 HB3 ASN A 13 -4.827 -9.717 14.327 1.00 53.32 H new ATOM 0 HD21 ASN A 13 -4.615 -11.521 17.397 1.00 54.13 H new ATOM 0 HD22 ASN A 13 -5.596 -11.172 15.969 1.00 54.13 H new ATOM 280 N LYS A 17 -0.144 -11.384 9.183 1.00 35.34 N ATOM 281 CA LYS A 17 1.298 -11.033 9.197 1.00 35.15 C ATOM 282 C LYS A 17 1.734 -10.222 7.942 1.00 22.14 C ATOM 283 O LYS A 17 0.929 -9.939 7.058 1.00 22.33 O ATOM 284 CB LYS A 17 2.185 -12.310 9.375 1.00 54.20 C ATOM 285 CG LYS A 17 2.296 -13.254 8.145 1.00 40.12 C ATOM 286 CD LYS A 17 1.029 -14.107 7.884 1.00 73.25 C ATOM 287 CE LYS A 17 1.174 -15.005 6.644 1.00 15.12 C ATOM 288 NZ LYS A 17 -0.015 -15.864 6.418 1.00 13.32 N ATOM 0 HA LYS A 17 1.451 -10.382 10.057 1.00 35.15 H new ATOM 0 HB2 LYS A 17 3.190 -11.992 9.652 1.00 54.20 H new ATOM 0 HB3 LYS A 17 1.790 -12.886 10.212 1.00 54.20 H new ATOM 0 HG2 LYS A 17 2.506 -12.655 7.259 1.00 40.12 H new ATOM 0 HG3 LYS A 17 3.146 -13.921 8.288 1.00 40.12 H new ATOM 0 HD2 LYS A 17 0.825 -14.727 8.757 1.00 73.25 H new ATOM 0 HD3 LYS A 17 0.171 -13.448 7.754 1.00 73.25 H new ATOM 0 HE2 LYS A 17 1.339 -14.381 5.766 1.00 15.12 H new ATOM 0 HE3 LYS A 17 2.056 -15.635 6.758 1.00 15.12 H new ATOM 0 HZ1 LYS A 17 0.135 -16.448 5.571 1.00 13.32 H new ATOM 0 HZ2 LYS A 17 -0.160 -16.481 7.243 1.00 13.32 H new ATOM 0 HZ3 LYS A 17 -0.855 -15.266 6.282 1.00 13.32 H new ATOM 302 N ASN A 18 3.044 -9.908 7.880 1.00 4.25 N ATOM 303 CA ASN A 18 3.670 -9.004 6.871 1.00 42.21 C ATOM 304 C ASN A 18 3.286 -9.290 5.387 1.00 34.35 C ATOM 305 O ASN A 18 3.251 -8.365 4.570 1.00 33.02 O ATOM 306 CB ASN A 18 5.210 -9.048 7.033 1.00 70.21 C ATOM 307 CG ASN A 18 5.833 -10.433 6.778 1.00 64.53 C ATOM 308 OD1 ASN A 18 5.213 -11.467 7.008 1.00 3.40 O ATOM 309 ND2 ASN A 18 7.064 -10.460 6.302 1.00 71.11 N ATOM 0 H ASN A 18 3.721 -10.282 8.545 1.00 4.25 H new ATOM 0 HA ASN A 18 3.271 -8.011 7.079 1.00 42.21 H new ATOM 0 HB2 ASN A 18 5.657 -8.329 6.346 1.00 70.21 H new ATOM 0 HB3 ASN A 18 5.467 -8.727 8.042 1.00 70.21 H new ATOM 0 HD21 ASN A 18 7.520 -11.354 6.117 1.00 71.11 H new ATOM 0 HD22 ASN A 18 7.559 -9.587 6.119 1.00 71.11 H new ATOM 316 N ILE A 19 2.993 -10.565 5.071 1.00 21.02 N ATOM 317 CA ILE A 19 2.673 -11.047 3.695 1.00 10.51 C ATOM 318 C ILE A 19 1.510 -10.269 3.004 1.00 33.34 C ATOM 319 O ILE A 19 1.446 -10.235 1.766 1.00 12.12 O ATOM 320 CB ILE A 19 2.377 -12.599 3.737 1.00 20.14 C ATOM 321 CG1 ILE A 19 3.615 -13.371 4.314 1.00 73.12 C ATOM 322 CG2 ILE A 19 1.972 -13.178 2.353 1.00 24.31 C ATOM 323 CD1 ILE A 19 4.897 -13.211 3.506 1.00 24.35 C ATOM 0 H ILE A 19 2.969 -11.309 5.769 1.00 21.02 H new ATOM 0 HA ILE A 19 3.550 -10.851 3.078 1.00 10.51 H new ATOM 0 HB ILE A 19 1.520 -12.740 4.395 1.00 20.14 H new ATOM 0 HG12 ILE A 19 3.798 -13.028 5.332 1.00 73.12 H new ATOM 0 HG13 ILE A 19 3.369 -14.431 4.374 1.00 73.12 H new ATOM 0 HG21 ILE A 19 1.782 -14.247 2.447 1.00 24.31 H new ATOM 0 HG22 ILE A 19 1.070 -12.679 2.000 1.00 24.31 H new ATOM 0 HG23 ILE A 19 2.780 -13.015 1.640 1.00 24.31 H new ATOM 0 HD11 ILE A 19 5.698 -13.779 3.979 1.00 24.35 H new ATOM 0 HD12 ILE A 19 4.738 -13.582 2.494 1.00 24.35 H new ATOM 0 HD13 ILE A 19 5.173 -12.157 3.467 1.00 24.35 H new ATOM 335 N LEU A 20 0.644 -9.612 3.815 1.00 42.11 N ATOM 336 CA LEU A 20 -0.478 -8.753 3.327 1.00 35.05 C ATOM 337 C LEU A 20 -0.031 -7.824 2.168 1.00 42.33 C ATOM 338 O LEU A 20 -0.495 -7.939 1.028 1.00 53.52 O ATOM 339 CB LEU A 20 -0.985 -7.852 4.491 1.00 61.24 C ATOM 340 CG LEU A 20 -1.562 -8.570 5.740 1.00 4.43 C ATOM 341 CD1 LEU A 20 -1.647 -7.590 6.933 1.00 52.03 C ATOM 342 CD2 LEU A 20 -2.934 -9.224 5.436 1.00 33.32 C ATOM 0 H LEU A 20 0.700 -9.660 4.832 1.00 42.11 H new ATOM 0 HA LEU A 20 -1.264 -9.417 2.967 1.00 35.05 H new ATOM 0 HB2 LEU A 20 -0.158 -7.221 4.816 1.00 61.24 H new ATOM 0 HB3 LEU A 20 -1.755 -7.190 4.096 1.00 61.24 H new ATOM 0 HG LEU A 20 -0.882 -9.377 6.014 1.00 4.43 H new ATOM 0 HD11 LEU A 20 -2.054 -8.108 7.801 1.00 52.03 H new ATOM 0 HD12 LEU A 20 -0.651 -7.215 7.168 1.00 52.03 H new ATOM 0 HD13 LEU A 20 -2.297 -6.755 6.672 1.00 52.03 H new ATOM 0 HD21 LEU A 20 -3.308 -9.718 6.333 1.00 33.32 H new ATOM 0 HD22 LEU A 20 -3.641 -8.456 5.122 1.00 33.32 H new ATOM 0 HD23 LEU A 20 -2.818 -9.958 4.639 1.00 33.32 H new ATOM 354 N TRP A 21 0.903 -6.922 2.500 1.00 1.21 N ATOM 355 CA TRP A 21 1.488 -5.955 1.564 1.00 74.23 C ATOM 356 C TRP A 21 2.880 -6.384 1.067 1.00 53.41 C ATOM 357 O TRP A 21 3.373 -5.819 0.108 1.00 20.11 O ATOM 358 CB TRP A 21 1.531 -4.565 2.214 1.00 11.13 C ATOM 359 CG TRP A 21 0.161 -3.928 2.380 1.00 14.34 C ATOM 360 CD1 TRP A 21 -0.717 -4.090 3.414 1.00 73.31 C ATOM 361 CD2 TRP A 21 -0.473 -3.017 1.467 1.00 53.43 C ATOM 362 NE1 TRP A 21 -1.831 -3.315 3.212 1.00 71.23 N ATOM 363 CE2 TRP A 21 -1.711 -2.655 2.022 1.00 63.33 C ATOM 364 CE3 TRP A 21 -0.104 -2.479 0.233 1.00 25.35 C ATOM 365 CZ2 TRP A 21 -2.577 -1.761 1.396 1.00 35.42 C ATOM 366 CZ3 TRP A 21 -0.960 -1.594 -0.392 1.00 21.52 C ATOM 367 CH2 TRP A 21 -2.186 -1.246 0.187 1.00 4.54 C ATOM 0 H TRP A 21 1.279 -6.844 3.445 1.00 1.21 H new ATOM 0 HA TRP A 21 0.850 -5.916 0.681 1.00 74.23 H new ATOM 0 HB2 TRP A 21 2.006 -4.645 3.192 1.00 11.13 H new ATOM 0 HB3 TRP A 21 2.156 -3.909 1.608 1.00 11.13 H new ATOM 0 HD1 TRP A 21 -0.557 -4.734 4.266 1.00 73.31 H new ATOM 0 HE1 TRP A 21 -2.624 -3.243 3.850 1.00 71.23 H new ATOM 0 HE3 TRP A 21 0.835 -2.750 -0.225 1.00 25.35 H new ATOM 0 HZ2 TRP A 21 -3.519 -1.485 1.845 1.00 35.42 H new ATOM 0 HZ3 TRP A 21 -0.679 -1.164 -1.342 1.00 21.52 H new ATOM 0 HH2 TRP A 21 -2.838 -0.557 -0.330 1.00 4.54 H new ATOM 378 N SER A 22 3.527 -7.373 1.718 1.00 63.33 N ATOM 379 CA SER A 22 4.818 -7.936 1.210 1.00 44.33 C ATOM 380 C SER A 22 4.625 -8.639 -0.165 1.00 13.31 C ATOM 381 O SER A 22 5.590 -8.864 -0.904 1.00 31.12 O ATOM 382 CB SER A 22 5.450 -8.914 2.232 1.00 34.45 C ATOM 383 OG SER A 22 6.712 -9.399 1.795 1.00 1.35 O ATOM 0 H SER A 22 3.193 -7.799 2.582 1.00 63.33 H new ATOM 0 HA SER A 22 5.503 -7.099 1.073 1.00 44.33 H new ATOM 0 HB2 SER A 22 5.568 -8.410 3.191 1.00 34.45 H new ATOM 0 HB3 SER A 22 4.775 -9.754 2.395 1.00 34.45 H new ATOM 0 HG SER A 22 7.078 -10.011 2.467 1.00 1.35 H new ATOM 389 N ALA A 23 3.355 -8.971 -0.481 1.00 61.11 N ATOM 390 CA ALA A 23 2.937 -9.537 -1.783 1.00 53.34 C ATOM 391 C ALA A 23 3.213 -8.575 -2.974 1.00 12.05 C ATOM 392 O ALA A 23 3.521 -9.029 -4.077 1.00 65.01 O ATOM 393 CB ALA A 23 1.441 -9.882 -1.717 1.00 73.12 C ATOM 0 H ALA A 23 2.579 -8.852 0.170 1.00 61.11 H new ATOM 0 HA ALA A 23 3.530 -10.433 -1.964 1.00 53.34 H new ATOM 0 HB1 ALA A 23 1.122 -10.300 -2.672 1.00 73.12 H new ATOM 0 HB2 ALA A 23 1.271 -10.612 -0.926 1.00 73.12 H new ATOM 0 HB3 ALA A 23 0.868 -8.979 -1.507 1.00 73.12 H new ATOM 399 N ILE A 24 3.131 -7.245 -2.727 1.00 20.01 N ATOM 400 CA ILE A 24 3.245 -6.211 -3.798 1.00 73.21 C ATOM 401 C ILE A 24 4.683 -6.109 -4.375 1.00 25.21 C ATOM 402 O ILE A 24 4.885 -5.564 -5.465 1.00 54.10 O ATOM 403 CB ILE A 24 2.753 -4.790 -3.301 1.00 25.25 C ATOM 404 CG1 ILE A 24 3.792 -4.124 -2.345 1.00 63.22 C ATOM 405 CG2 ILE A 24 1.352 -4.899 -2.641 1.00 65.11 C ATOM 406 CD1 ILE A 24 3.297 -2.915 -1.579 1.00 34.32 C ATOM 0 H ILE A 24 2.986 -6.857 -1.795 1.00 20.01 H new ATOM 0 HA ILE A 24 2.588 -6.541 -4.602 1.00 73.21 H new ATOM 0 HB ILE A 24 2.664 -4.140 -4.171 1.00 25.25 H new ATOM 0 HG12 ILE A 24 4.131 -4.872 -1.628 1.00 63.22 H new ATOM 0 HG13 ILE A 24 4.662 -3.829 -2.932 1.00 63.22 H new ATOM 0 HG21 ILE A 24 1.030 -3.913 -2.306 1.00 65.11 H new ATOM 0 HG22 ILE A 24 0.637 -5.287 -3.367 1.00 65.11 H new ATOM 0 HG23 ILE A 24 1.404 -5.574 -1.787 1.00 65.11 H new ATOM 0 HD11 ILE A 24 4.098 -2.532 -0.946 1.00 34.32 H new ATOM 0 HD12 ILE A 24 2.988 -2.141 -2.281 1.00 34.32 H new ATOM 0 HD13 ILE A 24 2.449 -3.201 -0.957 1.00 34.32 H new ATOM 418 N SER A 25 5.667 -6.637 -3.618 1.00 32.12 N ATOM 419 CA SER A 25 7.088 -6.693 -4.041 1.00 5.13 C ATOM 420 C SER A 25 7.301 -7.682 -5.209 1.00 45.35 C ATOM 421 O SER A 25 8.149 -7.458 -6.086 1.00 70.45 O ATOM 422 CB SER A 25 7.975 -7.104 -2.843 1.00 31.11 C ATOM 423 OG SER A 25 9.348 -7.169 -3.201 1.00 11.41 O ATOM 0 H SER A 25 5.502 -7.038 -2.695 1.00 32.12 H new ATOM 0 HA SER A 25 7.370 -5.699 -4.389 1.00 5.13 H new ATOM 0 HB2 SER A 25 7.844 -6.388 -2.032 1.00 31.11 H new ATOM 0 HB3 SER A 25 7.651 -8.074 -2.467 1.00 31.11 H new ATOM 0 HG SER A 25 9.878 -7.430 -2.419 1.00 11.41 H new ATOM 429 N THR A 26 6.533 -8.786 -5.193 1.00 72.23 N ATOM 430 CA THR A 26 6.578 -9.818 -6.250 1.00 33.23 C ATOM 431 C THR A 26 5.450 -9.609 -7.278 1.00 53.22 C ATOM 432 O THR A 26 4.347 -9.212 -6.907 1.00 31.44 O ATOM 433 CB THR A 26 6.455 -11.261 -5.660 1.00 0.33 C ATOM 434 OG1 THR A 26 5.285 -11.351 -4.830 1.00 42.42 O ATOM 435 CG2 THR A 26 7.708 -11.658 -4.860 1.00 12.23 C ATOM 0 H THR A 26 5.865 -8.990 -4.450 1.00 72.23 H new ATOM 0 HA THR A 26 7.547 -9.716 -6.739 1.00 33.23 H new ATOM 0 HB THR A 26 6.364 -11.958 -6.493 1.00 0.33 H new ATOM 0 HG1 THR A 26 4.797 -10.502 -4.860 1.00 42.42 H new ATOM 0 HG21 THR A 26 7.584 -12.667 -4.466 1.00 12.23 H new ATOM 0 HG22 THR A 26 8.581 -11.628 -5.512 1.00 12.23 H new ATOM 0 HG23 THR A 26 7.848 -10.961 -4.034 1.00 12.23 H new ATOM 443 N PRO A 27 5.721 -9.885 -8.597 1.00 74.11 N ATOM 444 CA PRO A 27 4.698 -9.813 -9.678 1.00 72.54 C ATOM 445 C PRO A 27 3.418 -10.651 -9.381 1.00 61.05 C ATOM 446 O PRO A 27 2.307 -10.111 -9.379 1.00 53.45 O ATOM 447 CB PRO A 27 5.465 -10.356 -10.929 1.00 33.23 C ATOM 448 CG PRO A 27 6.690 -11.029 -10.375 1.00 13.34 C ATOM 449 CD PRO A 27 7.056 -10.242 -9.154 1.00 11.23 C ATOM 0 HA PRO A 27 4.313 -8.801 -9.804 1.00 72.54 H new ATOM 0 HB2 PRO A 27 4.851 -11.057 -11.494 1.00 33.23 H new ATOM 0 HB3 PRO A 27 5.733 -9.547 -11.609 1.00 33.23 H new ATOM 0 HG2 PRO A 27 6.488 -12.071 -10.125 1.00 13.34 H new ATOM 0 HG3 PRO A 27 7.502 -11.027 -11.102 1.00 13.34 H new ATOM 0 HD2 PRO A 27 7.646 -10.831 -8.452 1.00 11.23 H new ATOM 0 HD3 PRO A 27 7.644 -9.358 -9.401 1.00 11.23 H new ATOM 457 N THR A 28 3.603 -11.966 -9.108 1.00 31.41 N ATOM 458 CA THR A 28 2.494 -12.917 -8.811 1.00 4.14 C ATOM 459 C THR A 28 1.663 -12.532 -7.555 1.00 53.21 C ATOM 460 O THR A 28 0.433 -12.684 -7.552 1.00 43.11 O ATOM 461 CB THR A 28 3.027 -14.386 -8.652 1.00 15.42 C ATOM 462 OG1 THR A 28 1.953 -15.274 -8.281 1.00 51.44 O ATOM 463 CG2 THR A 28 4.179 -14.492 -7.624 1.00 15.24 C ATOM 0 H THR A 28 4.525 -12.401 -9.087 1.00 31.41 H new ATOM 0 HA THR A 28 1.829 -12.857 -9.672 1.00 4.14 H new ATOM 0 HB THR A 28 3.428 -14.682 -9.621 1.00 15.42 H new ATOM 0 HG1 THR A 28 2.300 -16.186 -8.187 1.00 51.44 H new ATOM 0 HG21 THR A 28 4.509 -15.528 -7.553 1.00 15.24 H new ATOM 0 HG22 THR A 28 5.012 -13.867 -7.945 1.00 15.24 H new ATOM 0 HG23 THR A 28 3.828 -14.156 -6.648 1.00 15.24 H new ATOM 471 N GLY A 29 2.339 -12.032 -6.502 1.00 31.50 N ATOM 472 CA GLY A 29 1.655 -11.610 -5.265 1.00 62.41 C ATOM 473 C GLY A 29 0.881 -10.297 -5.433 1.00 14.13 C ATOM 474 O GLY A 29 -0.189 -10.116 -4.846 1.00 50.14 O ATOM 0 H GLY A 29 3.352 -11.911 -6.483 1.00 31.50 H new ATOM 0 HA2 GLY A 29 0.967 -12.394 -4.950 1.00 62.41 H new ATOM 0 HA3 GLY A 29 2.391 -11.493 -4.470 1.00 62.41 H new ATOM 478 N LEU A 30 1.450 -9.387 -6.234 1.00 54.32 N ATOM 479 CA LEU A 30 0.848 -8.077 -6.556 1.00 32.33 C ATOM 480 C LEU A 30 -0.463 -8.234 -7.371 1.00 24.42 C ATOM 481 O LEU A 30 -1.527 -7.802 -6.924 1.00 2.35 O ATOM 482 CB LEU A 30 1.887 -7.223 -7.330 1.00 55.04 C ATOM 483 CG LEU A 30 1.485 -5.762 -7.707 1.00 51.41 C ATOM 484 CD1 LEU A 30 1.041 -4.946 -6.477 1.00 74.53 C ATOM 485 CD2 LEU A 30 2.647 -5.061 -8.439 1.00 53.00 C ATOM 0 H LEU A 30 2.353 -9.537 -6.685 1.00 54.32 H new ATOM 0 HA LEU A 30 0.581 -7.573 -5.627 1.00 32.33 H new ATOM 0 HB2 LEU A 30 2.797 -7.177 -6.732 1.00 55.04 H new ATOM 0 HB3 LEU A 30 2.137 -7.751 -8.250 1.00 55.04 H new ATOM 0 HG LEU A 30 0.627 -5.819 -8.377 1.00 51.41 H new ATOM 0 HD11 LEU A 30 0.771 -3.937 -6.788 1.00 74.53 H new ATOM 0 HD12 LEU A 30 0.179 -5.426 -6.014 1.00 74.53 H new ATOM 0 HD13 LEU A 30 1.859 -4.898 -5.758 1.00 74.53 H new ATOM 0 HD21 LEU A 30 2.354 -4.043 -8.696 1.00 53.00 H new ATOM 0 HD22 LEU A 30 3.522 -5.033 -7.790 1.00 53.00 H new ATOM 0 HD23 LEU A 30 2.888 -5.610 -9.349 1.00 53.00 H new ATOM 497 N GLU A 31 -0.380 -8.914 -8.538 1.00 74.10 N ATOM 498 CA GLU A 31 -1.542 -9.116 -9.454 1.00 3.52 C ATOM 499 C GLU A 31 -2.687 -9.926 -8.803 1.00 61.41 C ATOM 500 O GLU A 31 -3.817 -9.896 -9.292 1.00 42.12 O ATOM 501 CB GLU A 31 -1.099 -9.839 -10.747 1.00 20.51 C ATOM 502 CG GLU A 31 -0.547 -11.263 -10.523 1.00 14.41 C ATOM 503 CD GLU A 31 -0.224 -11.995 -11.825 1.00 45.12 C ATOM 504 OE1 GLU A 31 0.745 -11.603 -12.504 1.00 52.11 O ATOM 505 OE2 GLU A 31 -0.942 -12.954 -12.184 1.00 3.03 O ATOM 0 H GLU A 31 0.484 -9.338 -8.875 1.00 74.10 H new ATOM 0 HA GLU A 31 -1.919 -8.120 -9.685 1.00 3.52 H new ATOM 0 HB2 GLU A 31 -1.949 -9.895 -11.427 1.00 20.51 H new ATOM 0 HB3 GLU A 31 -0.334 -9.239 -11.241 1.00 20.51 H new ATOM 0 HG2 GLU A 31 0.355 -11.204 -9.913 1.00 14.41 H new ATOM 0 HG3 GLU A 31 -1.276 -11.844 -9.958 1.00 14.41 H new ATOM 512 N ASP A 32 -2.374 -10.656 -7.711 1.00 44.22 N ATOM 513 CA ASP A 32 -3.356 -11.482 -6.976 1.00 34.31 C ATOM 514 C ASP A 32 -4.527 -10.623 -6.407 1.00 61.54 C ATOM 515 O ASP A 32 -5.641 -11.127 -6.211 1.00 72.34 O ATOM 516 CB ASP A 32 -2.624 -12.253 -5.842 1.00 70.03 C ATOM 517 CG ASP A 32 -3.478 -13.361 -5.197 1.00 22.41 C ATOM 518 OD1 ASP A 32 -3.599 -14.453 -5.799 1.00 4.11 O ATOM 519 OD2 ASP A 32 -4.040 -13.148 -4.100 1.00 12.21 O ATOM 0 H ASP A 32 -1.435 -10.689 -7.315 1.00 44.22 H new ATOM 0 HA ASP A 32 -3.802 -12.194 -7.670 1.00 34.31 H new ATOM 0 HB2 ASP A 32 -1.713 -12.696 -6.245 1.00 70.03 H new ATOM 0 HB3 ASP A 32 -2.320 -11.545 -5.071 1.00 70.03 H new ATOM 524 N TRP A 33 -4.268 -9.312 -6.178 1.00 4.33 N ATOM 525 CA TRP A 33 -5.274 -8.386 -5.610 1.00 55.31 C ATOM 526 C TRP A 33 -5.129 -6.916 -6.110 1.00 1.20 C ATOM 527 O TRP A 33 -5.929 -6.070 -5.722 1.00 15.33 O ATOM 528 CB TRP A 33 -5.215 -8.441 -4.059 1.00 24.24 C ATOM 529 CG TRP A 33 -3.913 -7.946 -3.455 1.00 54.01 C ATOM 530 CD1 TRP A 33 -2.662 -8.493 -3.599 1.00 73.23 C ATOM 531 CD2 TRP A 33 -3.752 -6.814 -2.593 1.00 41.41 C ATOM 532 NE1 TRP A 33 -1.743 -7.757 -2.898 1.00 72.11 N ATOM 533 CE2 TRP A 33 -2.387 -6.728 -2.262 1.00 13.15 C ATOM 534 CE3 TRP A 33 -4.638 -5.865 -2.070 1.00 75.41 C ATOM 535 CZ2 TRP A 33 -1.889 -5.728 -1.437 1.00 43.24 C ATOM 536 CZ3 TRP A 33 -4.140 -4.875 -1.249 1.00 52.10 C ATOM 537 CH2 TRP A 33 -2.778 -4.815 -0.937 1.00 64.13 C ATOM 0 H TRP A 33 -3.369 -8.874 -6.379 1.00 4.33 H new ATOM 0 HA TRP A 33 -6.248 -8.725 -5.964 1.00 55.31 H new ATOM 0 HB2 TRP A 33 -6.035 -7.847 -3.657 1.00 24.24 H new ATOM 0 HB3 TRP A 33 -5.380 -9.470 -3.739 1.00 24.24 H new ATOM 0 HD1 TRP A 33 -2.435 -9.375 -4.180 1.00 73.23 H new ATOM 0 HE1 TRP A 33 -0.741 -7.945 -2.856 1.00 72.11 H new ATOM 0 HE3 TRP A 33 -5.691 -5.907 -2.305 1.00 75.41 H new ATOM 0 HZ2 TRP A 33 -0.837 -5.673 -1.198 1.00 43.24 H new ATOM 0 HZ3 TRP A 33 -4.812 -4.135 -0.841 1.00 52.10 H new ATOM 0 HH2 TRP A 33 -2.420 -4.031 -0.287 1.00 64.13 H new ATOM 548 N PHE A 34 -4.139 -6.612 -6.974 1.00 34.34 N ATOM 549 CA PHE A 34 -3.909 -5.221 -7.484 1.00 33.11 C ATOM 550 C PHE A 34 -4.468 -5.029 -8.916 1.00 55.41 C ATOM 551 O PHE A 34 -5.417 -4.263 -9.126 1.00 60.23 O ATOM 552 CB PHE A 34 -2.396 -4.875 -7.438 1.00 64.01 C ATOM 553 CG PHE A 34 -2.013 -3.507 -8.021 1.00 62.12 C ATOM 554 CD1 PHE A 34 -2.282 -2.335 -7.322 1.00 23.42 C ATOM 555 CD2 PHE A 34 -1.394 -3.397 -9.271 1.00 2.31 C ATOM 556 CE1 PHE A 34 -1.948 -1.100 -7.847 1.00 13.25 C ATOM 557 CE2 PHE A 34 -1.064 -2.161 -9.794 1.00 4.31 C ATOM 558 CZ PHE A 34 -1.340 -1.014 -9.083 1.00 73.22 C ATOM 0 H PHE A 34 -3.481 -7.301 -7.339 1.00 34.34 H new ATOM 0 HA PHE A 34 -4.451 -4.537 -6.831 1.00 33.11 H new ATOM 0 HB2 PHE A 34 -2.063 -4.914 -6.401 1.00 64.01 H new ATOM 0 HB3 PHE A 34 -1.848 -5.647 -7.978 1.00 64.01 H new ATOM 0 HD1 PHE A 34 -2.759 -2.390 -6.355 1.00 23.42 H new ATOM 0 HD2 PHE A 34 -1.171 -4.291 -9.835 1.00 2.31 H new ATOM 0 HE1 PHE A 34 -2.163 -0.201 -7.289 1.00 13.25 H new ATOM 0 HE2 PHE A 34 -0.589 -2.094 -10.762 1.00 4.31 H new ATOM 0 HZ PHE A 34 -1.081 -0.049 -9.492 1.00 73.22 H new ATOM 568 N ALA A 35 -3.855 -5.714 -9.894 1.00 44.12 N ATOM 569 CA ALA A 35 -4.237 -5.622 -11.325 1.00 72.24 C ATOM 570 C ALA A 35 -4.744 -6.985 -11.843 1.00 1.34 C ATOM 571 O ALA A 35 -4.781 -7.967 -11.094 1.00 45.51 O ATOM 572 CB ALA A 35 -3.028 -5.127 -12.157 1.00 43.13 C ATOM 0 H ALA A 35 -3.077 -6.351 -9.721 1.00 44.12 H new ATOM 0 HA ALA A 35 -5.051 -4.905 -11.430 1.00 72.24 H new ATOM 0 HB1 ALA A 35 -3.312 -5.061 -13.207 1.00 43.13 H new ATOM 0 HB2 ALA A 35 -2.720 -4.144 -11.802 1.00 43.13 H new ATOM 0 HB3 ALA A 35 -2.200 -5.828 -12.049 1.00 43.13 H new ATOM 578 N ASP A 36 -5.154 -7.026 -13.123 1.00 12.23 N ATOM 579 CA ASP A 36 -5.505 -8.285 -13.816 1.00 64.35 C ATOM 580 C ASP A 36 -4.269 -9.203 -13.929 1.00 34.24 C ATOM 581 O ASP A 36 -4.338 -10.407 -13.659 1.00 44.12 O ATOM 582 CB ASP A 36 -6.064 -7.980 -15.222 1.00 52.13 C ATOM 583 CG ASP A 36 -7.337 -7.117 -15.174 1.00 14.52 C ATOM 584 OD1 ASP A 36 -7.226 -5.885 -15.004 1.00 72.42 O ATOM 585 OD2 ASP A 36 -8.454 -7.667 -15.266 1.00 54.12 O ATOM 0 H ASP A 36 -5.252 -6.195 -13.706 1.00 12.23 H new ATOM 0 HA ASP A 36 -6.269 -8.799 -13.233 1.00 64.35 H new ATOM 0 HB2 ASP A 36 -5.302 -7.467 -15.809 1.00 52.13 H new ATOM 0 HB3 ASP A 36 -6.283 -8.917 -15.734 1.00 52.13 H new ATOM 590 N LYS A 37 -3.134 -8.602 -14.321 1.00 43.24 N ATOM 591 CA LYS A 37 -1.858 -9.313 -14.480 1.00 12.32 C ATOM 592 C LYS A 37 -0.677 -8.338 -14.265 1.00 52.22 C ATOM 593 O LYS A 37 -0.791 -7.146 -14.552 1.00 71.31 O ATOM 594 CB LYS A 37 -1.796 -9.947 -15.892 1.00 64.02 C ATOM 595 CG LYS A 37 -0.769 -11.082 -16.041 1.00 61.22 C ATOM 596 CD LYS A 37 -0.707 -11.628 -17.485 1.00 4.44 C ATOM 597 CE LYS A 37 0.093 -12.933 -17.603 1.00 63.14 C ATOM 598 NZ LYS A 37 -0.538 -14.046 -16.847 1.00 13.44 N ATOM 0 H LYS A 37 -3.077 -7.607 -14.537 1.00 43.24 H new ATOM 0 HA LYS A 37 -1.785 -10.105 -13.734 1.00 12.32 H new ATOM 0 HB2 LYS A 37 -2.783 -10.333 -16.146 1.00 64.02 H new ATOM 0 HB3 LYS A 37 -1.563 -9.166 -16.616 1.00 64.02 H new ATOM 0 HG2 LYS A 37 0.216 -10.719 -15.749 1.00 61.22 H new ATOM 0 HG3 LYS A 37 -1.025 -11.893 -15.359 1.00 61.22 H new ATOM 0 HD2 LYS A 37 -1.721 -11.797 -17.847 1.00 4.44 H new ATOM 0 HD3 LYS A 37 -0.259 -10.875 -18.133 1.00 4.44 H new ATOM 0 HE2 LYS A 37 0.179 -13.212 -18.653 1.00 63.14 H new ATOM 0 HE3 LYS A 37 1.105 -12.772 -17.233 1.00 63.14 H new ATOM 0 HZ1 LYS A 37 -0.112 -14.949 -17.138 1.00 13.44 H new ATOM 0 HZ2 LYS A 37 -0.386 -13.904 -15.828 1.00 13.44 H new ATOM 0 HZ3 LYS A 37 -1.559 -14.065 -17.045 1.00 13.44 H new ATOM 612 N VAL A 38 0.436 -8.846 -13.720 1.00 64.12 N ATOM 613 CA VAL A 38 1.677 -8.067 -13.499 1.00 53.41 C ATOM 614 C VAL A 38 2.917 -8.917 -13.889 1.00 45.22 C ATOM 615 O VAL A 38 3.223 -9.917 -13.239 1.00 14.30 O ATOM 616 CB VAL A 38 1.808 -7.570 -12.000 1.00 43.12 C ATOM 617 CG1 VAL A 38 3.188 -6.926 -11.736 1.00 31.05 C ATOM 618 CG2 VAL A 38 0.671 -6.582 -11.616 1.00 21.21 C ATOM 0 H VAL A 38 0.508 -9.817 -13.415 1.00 64.12 H new ATOM 0 HA VAL A 38 1.626 -7.183 -14.134 1.00 53.41 H new ATOM 0 HB VAL A 38 1.714 -8.453 -11.368 1.00 43.12 H new ATOM 0 HG11 VAL A 38 3.243 -6.596 -10.698 1.00 31.05 H new ATOM 0 HG12 VAL A 38 3.973 -7.657 -11.927 1.00 31.05 H new ATOM 0 HG13 VAL A 38 3.322 -6.069 -12.396 1.00 31.05 H new ATOM 0 HG21 VAL A 38 0.798 -6.266 -10.581 1.00 21.21 H new ATOM 0 HG22 VAL A 38 0.710 -5.710 -12.269 1.00 21.21 H new ATOM 0 HG23 VAL A 38 -0.294 -7.076 -11.728 1.00 21.21 H new ATOM 628 N VAL A 39 3.602 -8.524 -14.975 1.00 51.03 N ATOM 629 CA VAL A 39 4.887 -9.131 -15.391 1.00 63.32 C ATOM 630 C VAL A 39 6.056 -8.221 -14.941 1.00 50.34 C ATOM 631 O VAL A 39 6.171 -7.095 -15.410 1.00 70.30 O ATOM 632 CB VAL A 39 4.934 -9.327 -16.956 1.00 33.20 C ATOM 633 CG1 VAL A 39 6.245 -10.032 -17.405 1.00 74.13 C ATOM 634 CG2 VAL A 39 3.679 -10.093 -17.455 1.00 3.44 C ATOM 0 H VAL A 39 3.285 -7.777 -15.593 1.00 51.03 H new ATOM 0 HA VAL A 39 4.980 -10.110 -14.920 1.00 63.32 H new ATOM 0 HB VAL A 39 4.928 -8.338 -17.415 1.00 33.20 H new ATOM 0 HG11 VAL A 39 6.242 -10.150 -18.489 1.00 74.13 H new ATOM 0 HG12 VAL A 39 7.103 -9.428 -17.108 1.00 74.13 H new ATOM 0 HG13 VAL A 39 6.311 -11.013 -16.934 1.00 74.13 H new ATOM 0 HG21 VAL A 39 3.734 -10.216 -18.537 1.00 3.44 H new ATOM 0 HG22 VAL A 39 3.638 -11.073 -16.980 1.00 3.44 H new ATOM 0 HG23 VAL A 39 2.782 -9.528 -17.199 1.00 3.44 H new ATOM 644 N SER A 40 6.932 -8.717 -14.047 1.00 75.31 N ATOM 645 CA SER A 40 8.062 -7.914 -13.500 1.00 45.41 C ATOM 646 C SER A 40 9.428 -8.564 -13.792 1.00 51.31 C ATOM 647 O SER A 40 9.593 -9.785 -13.697 1.00 2.20 O ATOM 648 CB SER A 40 7.900 -7.709 -11.977 1.00 35.52 C ATOM 649 OG SER A 40 8.974 -6.955 -11.426 1.00 42.21 O ATOM 0 H SER A 40 6.886 -9.669 -13.683 1.00 75.31 H new ATOM 0 HA SER A 40 8.035 -6.946 -14.001 1.00 45.41 H new ATOM 0 HB2 SER A 40 6.958 -7.198 -11.778 1.00 35.52 H new ATOM 0 HB3 SER A 40 7.847 -8.679 -11.484 1.00 35.52 H new ATOM 0 HG SER A 40 9.272 -6.286 -12.077 1.00 42.21 H new ATOM 655 N ASP A 41 10.395 -7.711 -14.154 1.00 31.40 N ATOM 656 CA ASP A 41 11.809 -8.081 -14.330 1.00 3.21 C ATOM 657 C ASP A 41 12.522 -8.155 -12.949 1.00 51.15 C ATOM 658 O ASP A 41 12.749 -9.240 -12.405 1.00 34.33 O ATOM 659 CB ASP A 41 12.477 -7.031 -15.272 1.00 22.30 C ATOM 660 CG ASP A 41 13.995 -7.217 -15.450 1.00 31.12 C ATOM 661 OD1 ASP A 41 14.400 -8.069 -16.265 1.00 2.23 O ATOM 662 OD2 ASP A 41 14.784 -6.492 -14.797 1.00 5.03 O ATOM 0 H ASP A 41 10.215 -6.724 -14.337 1.00 31.40 H new ATOM 0 HA ASP A 41 11.893 -9.068 -14.785 1.00 3.21 H new ATOM 0 HB2 ASP A 41 11.999 -7.081 -16.250 1.00 22.30 H new ATOM 0 HB3 ASP A 41 12.289 -6.033 -14.876 1.00 22.30 H new ATOM 667 N ASP A 42 12.792 -6.968 -12.383 1.00 23.11 N ATOM 668 CA ASP A 42 13.585 -6.771 -11.147 1.00 43.32 C ATOM 669 C ASP A 42 13.648 -5.257 -10.856 1.00 61.41 C ATOM 670 O ASP A 42 13.194 -4.781 -9.814 1.00 34.13 O ATOM 671 CB ASP A 42 15.030 -7.356 -11.293 1.00 23.42 C ATOM 672 CG ASP A 42 15.961 -6.984 -10.122 1.00 55.32 C ATOM 673 OD1 ASP A 42 15.767 -7.513 -9.012 1.00 41.00 O ATOM 674 OD2 ASP A 42 16.870 -6.137 -10.303 1.00 25.53 O ATOM 0 H ASP A 42 12.457 -6.090 -12.780 1.00 23.11 H new ATOM 0 HA ASP A 42 13.107 -7.300 -10.323 1.00 43.32 H new ATOM 0 HB2 ASP A 42 14.969 -8.442 -11.368 1.00 23.42 H new ATOM 0 HB3 ASP A 42 15.468 -6.996 -12.224 1.00 23.42 H new ATOM 679 N LYS A 43 14.237 -4.528 -11.813 1.00 42.13 N ATOM 680 CA LYS A 43 14.331 -3.054 -11.792 1.00 61.23 C ATOM 681 C LYS A 43 12.993 -2.396 -12.217 1.00 33.24 C ATOM 682 O LYS A 43 12.704 -1.263 -11.833 1.00 14.22 O ATOM 683 CB LYS A 43 15.479 -2.610 -12.738 1.00 12.33 C ATOM 684 CG LYS A 43 15.330 -3.099 -14.202 1.00 44.25 C ATOM 685 CD LYS A 43 16.548 -2.758 -15.090 1.00 43.00 C ATOM 686 CE LYS A 43 16.752 -1.243 -15.285 1.00 11.34 C ATOM 687 NZ LYS A 43 17.906 -0.949 -16.168 1.00 45.12 N ATOM 0 H LYS A 43 14.669 -4.947 -12.637 1.00 42.13 H new ATOM 0 HA LYS A 43 14.543 -2.728 -10.774 1.00 61.23 H new ATOM 0 HB2 LYS A 43 15.534 -1.521 -12.736 1.00 12.33 H new ATOM 0 HB3 LYS A 43 16.424 -2.978 -12.340 1.00 12.33 H new ATOM 0 HG2 LYS A 43 15.180 -4.179 -14.203 1.00 44.25 H new ATOM 0 HG3 LYS A 43 14.436 -2.652 -14.637 1.00 44.25 H new ATOM 0 HD2 LYS A 43 17.446 -3.184 -14.643 1.00 43.00 H new ATOM 0 HD3 LYS A 43 16.422 -3.230 -16.065 1.00 43.00 H new ATOM 0 HE2 LYS A 43 15.849 -0.807 -15.711 1.00 11.34 H new ATOM 0 HE3 LYS A 43 16.907 -0.770 -14.315 1.00 11.34 H new ATOM 0 HZ1 LYS A 43 18.009 0.080 -16.273 1.00 45.12 H new ATOM 0 HZ2 LYS A 43 18.773 -1.343 -15.749 1.00 45.12 H new ATOM 0 HZ3 LYS A 43 17.747 -1.378 -17.102 1.00 45.12 H new ATOM 701 N THR A 44 12.186 -3.136 -13.004 1.00 11.15 N ATOM 702 CA THR A 44 10.932 -2.628 -13.616 1.00 54.41 C ATOM 703 C THR A 44 9.764 -3.627 -13.417 1.00 43.22 C ATOM 704 O THR A 44 9.939 -4.835 -13.581 1.00 34.22 O ATOM 705 CB THR A 44 11.143 -2.358 -15.145 1.00 53.54 C ATOM 706 OG1 THR A 44 12.165 -1.357 -15.327 1.00 52.34 O ATOM 707 CG2 THR A 44 9.858 -1.902 -15.862 1.00 53.23 C ATOM 0 H THR A 44 12.383 -4.109 -13.237 1.00 11.15 H new ATOM 0 HA THR A 44 10.673 -1.694 -13.117 1.00 54.41 H new ATOM 0 HB THR A 44 11.445 -3.306 -15.590 1.00 53.54 H new ATOM 0 HG1 THR A 44 12.295 -1.192 -16.284 1.00 52.34 H new ATOM 0 HG21 THR A 44 10.071 -1.732 -16.917 1.00 53.23 H new ATOM 0 HG22 THR A 44 9.094 -2.674 -15.766 1.00 53.23 H new ATOM 0 HG23 THR A 44 9.498 -0.977 -15.411 1.00 53.23 H new ATOM 715 N VAL A 45 8.575 -3.086 -13.081 1.00 73.43 N ATOM 716 CA VAL A 45 7.335 -3.857 -12.840 1.00 75.04 C ATOM 717 C VAL A 45 6.236 -3.417 -13.846 1.00 63.41 C ATOM 718 O VAL A 45 5.708 -2.306 -13.739 1.00 71.52 O ATOM 719 CB VAL A 45 6.828 -3.637 -11.359 1.00 24.24 C ATOM 720 CG1 VAL A 45 5.556 -4.460 -11.062 1.00 34.21 C ATOM 721 CG2 VAL A 45 7.937 -3.963 -10.333 1.00 4.54 C ATOM 0 H VAL A 45 8.446 -2.081 -12.967 1.00 73.43 H new ATOM 0 HA VAL A 45 7.549 -4.916 -12.982 1.00 75.04 H new ATOM 0 HB VAL A 45 6.572 -2.582 -11.263 1.00 24.24 H new ATOM 0 HG11 VAL A 45 5.239 -4.282 -10.034 1.00 34.21 H new ATOM 0 HG12 VAL A 45 4.761 -4.160 -11.744 1.00 34.21 H new ATOM 0 HG13 VAL A 45 5.769 -5.520 -11.197 1.00 34.21 H new ATOM 0 HG21 VAL A 45 7.558 -3.802 -9.324 1.00 4.54 H new ATOM 0 HG22 VAL A 45 8.241 -5.004 -10.445 1.00 4.54 H new ATOM 0 HG23 VAL A 45 8.795 -3.313 -10.506 1.00 4.54 H new ATOM 731 N THR A 46 5.902 -4.287 -14.819 1.00 32.31 N ATOM 732 CA THR A 46 4.884 -3.982 -15.861 1.00 11.31 C ATOM 733 C THR A 46 3.486 -4.458 -15.408 1.00 2.13 C ATOM 734 O THR A 46 3.261 -5.657 -15.238 1.00 74.21 O ATOM 735 CB THR A 46 5.226 -4.649 -17.243 1.00 60.22 C ATOM 736 OG1 THR A 46 6.577 -4.332 -17.617 1.00 33.34 O ATOM 737 CG2 THR A 46 4.272 -4.177 -18.364 1.00 61.54 C ATOM 0 H THR A 46 6.321 -5.213 -14.911 1.00 32.31 H new ATOM 0 HA THR A 46 4.888 -2.900 -15.993 1.00 11.31 H new ATOM 0 HB THR A 46 5.107 -5.726 -17.122 1.00 60.22 H new ATOM 0 HG1 THR A 46 6.839 -4.875 -18.390 1.00 33.34 H new ATOM 0 HG21 THR A 46 4.544 -4.662 -19.301 1.00 61.54 H new ATOM 0 HG22 THR A 46 3.247 -4.439 -18.104 1.00 61.54 H new ATOM 0 HG23 THR A 46 4.352 -3.096 -18.479 1.00 61.54 H new ATOM 745 N PHE A 47 2.563 -3.510 -15.219 1.00 63.22 N ATOM 746 CA PHE A 47 1.169 -3.789 -14.820 1.00 42.13 C ATOM 747 C PHE A 47 0.296 -3.925 -16.078 1.00 13.34 C ATOM 748 O PHE A 47 0.006 -2.921 -16.729 1.00 4.34 O ATOM 749 CB PHE A 47 0.619 -2.633 -13.951 1.00 65.30 C ATOM 750 CG PHE A 47 1.586 -2.128 -12.895 1.00 45.45 C ATOM 751 CD1 PHE A 47 1.750 -2.811 -11.703 1.00 74.23 C ATOM 752 CD2 PHE A 47 2.320 -0.961 -13.096 1.00 22.43 C ATOM 753 CE1 PHE A 47 2.615 -2.342 -10.736 1.00 53.31 C ATOM 754 CE2 PHE A 47 3.185 -0.497 -12.134 1.00 4.43 C ATOM 755 CZ PHE A 47 3.333 -1.187 -10.949 1.00 1.04 C ATOM 0 H PHE A 47 2.759 -2.516 -15.338 1.00 63.22 H new ATOM 0 HA PHE A 47 1.146 -4.715 -14.245 1.00 42.13 H new ATOM 0 HB2 PHE A 47 0.346 -1.803 -14.603 1.00 65.30 H new ATOM 0 HB3 PHE A 47 -0.295 -2.967 -13.460 1.00 65.30 H new ATOM 0 HD1 PHE A 47 1.195 -3.721 -11.528 1.00 74.23 H new ATOM 0 HD2 PHE A 47 2.208 -0.414 -14.020 1.00 22.43 H new ATOM 0 HE1 PHE A 47 2.729 -2.883 -9.808 1.00 53.31 H new ATOM 0 HE2 PHE A 47 3.749 0.408 -12.306 1.00 4.43 H new ATOM 0 HZ PHE A 47 4.010 -0.822 -10.191 1.00 1.04 H new ATOM 765 N CYS A 48 -0.096 -5.150 -16.428 1.00 25.14 N ATOM 766 CA CYS A 48 -0.926 -5.411 -17.630 1.00 50.31 C ATOM 767 C CYS A 48 -2.391 -5.696 -17.239 1.00 30.01 C ATOM 768 O CYS A 48 -2.700 -6.727 -16.635 1.00 71.41 O ATOM 769 CB CYS A 48 -0.349 -6.592 -18.436 1.00 51.54 C ATOM 770 SG CYS A 48 -1.145 -6.841 -20.042 1.00 20.14 S ATOM 0 H CYS A 48 0.144 -5.989 -15.900 1.00 25.14 H new ATOM 0 HA CYS A 48 -0.908 -4.517 -18.254 1.00 50.31 H new ATOM 0 HB2 CYS A 48 0.717 -6.427 -18.591 1.00 51.54 H new ATOM 0 HB3 CYS A 48 -0.448 -7.504 -17.847 1.00 51.54 H new ATOM 0 HG CYS A 48 -0.594 -7.851 -20.647 1.00 20.14 H new ATOM 776 N TRP A 49 -3.294 -4.770 -17.587 1.00 0.01 N ATOM 777 CA TRP A 49 -4.739 -4.926 -17.341 1.00 73.21 C ATOM 778 C TRP A 49 -5.421 -5.660 -18.524 1.00 63.11 C ATOM 779 O TRP A 49 -6.001 -5.032 -19.417 1.00 52.34 O ATOM 780 CB TRP A 49 -5.386 -3.540 -17.063 1.00 51.32 C ATOM 781 CG TRP A 49 -4.928 -2.912 -15.761 1.00 72.34 C ATOM 782 CD1 TRP A 49 -5.460 -3.117 -14.515 1.00 63.54 C ATOM 783 CD2 TRP A 49 -3.845 -1.990 -15.576 1.00 11.42 C ATOM 784 NE1 TRP A 49 -4.784 -2.379 -13.583 1.00 54.13 N ATOM 785 CE2 TRP A 49 -3.789 -1.677 -14.206 1.00 74.10 C ATOM 786 CE3 TRP A 49 -2.926 -1.395 -16.438 1.00 55.20 C ATOM 787 CZ2 TRP A 49 -2.845 -0.802 -13.679 1.00 52.43 C ATOM 788 CZ3 TRP A 49 -1.991 -0.531 -15.917 1.00 43.14 C ATOM 789 CH2 TRP A 49 -1.957 -0.236 -14.550 1.00 12.33 C ATOM 0 H TRP A 49 -3.047 -3.893 -18.046 1.00 0.01 H new ATOM 0 HA TRP A 49 -4.885 -5.544 -16.455 1.00 73.21 H new ATOM 0 HB2 TRP A 49 -5.150 -2.865 -17.886 1.00 51.32 H new ATOM 0 HB3 TRP A 49 -6.470 -3.651 -17.043 1.00 51.32 H new ATOM 0 HD1 TRP A 49 -6.294 -3.768 -14.300 1.00 63.54 H new ATOM 0 HE1 TRP A 49 -4.989 -2.356 -12.584 1.00 54.13 H new ATOM 0 HE3 TRP A 49 -2.947 -1.608 -17.496 1.00 55.20 H new ATOM 0 HZ2 TRP A 49 -2.815 -0.579 -12.623 1.00 52.43 H new ATOM 0 HZ3 TRP A 49 -1.269 -0.072 -16.576 1.00 43.14 H new ATOM 0 HH2 TRP A 49 -1.214 0.453 -14.176 1.00 12.33 H new ATOM 800 N GLY A 50 -5.267 -7.003 -18.541 1.00 42.32 N ATOM 801 CA GLY A 50 -5.914 -7.880 -19.537 1.00 23.42 C ATOM 802 C GLY A 50 -5.509 -7.607 -20.997 1.00 21.02 C ATOM 803 O GLY A 50 -6.346 -7.726 -21.898 1.00 65.24 O ATOM 0 H GLY A 50 -4.692 -7.506 -17.866 1.00 42.32 H new ATOM 0 HA2 GLY A 50 -5.677 -8.916 -19.297 1.00 23.42 H new ATOM 0 HA3 GLY A 50 -6.995 -7.772 -19.448 1.00 23.42 H new ATOM 807 N LYS A 51 -4.224 -7.221 -21.212 1.00 22.05 N ATOM 808 CA LYS A 51 -3.646 -6.858 -22.551 1.00 71.03 C ATOM 809 C LYS A 51 -4.273 -5.581 -23.198 1.00 51.32 C ATOM 810 O LYS A 51 -3.877 -5.200 -24.310 1.00 53.30 O ATOM 811 CB LYS A 51 -3.735 -8.049 -23.561 1.00 43.33 C ATOM 812 CG LYS A 51 -2.893 -9.297 -23.207 1.00 41.34 C ATOM 813 CD LYS A 51 -3.047 -10.418 -24.267 1.00 72.41 C ATOM 814 CE LYS A 51 -2.160 -11.644 -23.986 1.00 55.12 C ATOM 815 NZ LYS A 51 -0.713 -11.302 -24.024 1.00 75.14 N ATOM 0 H LYS A 51 -3.544 -7.149 -20.455 1.00 22.05 H new ATOM 0 HA LYS A 51 -2.601 -6.628 -22.342 1.00 71.03 H new ATOM 0 HB2 LYS A 51 -4.779 -8.351 -23.646 1.00 43.33 H new ATOM 0 HB3 LYS A 51 -3.425 -7.692 -24.543 1.00 43.33 H new ATOM 0 HG2 LYS A 51 -1.843 -9.016 -23.126 1.00 41.34 H new ATOM 0 HG3 LYS A 51 -3.198 -9.676 -22.231 1.00 41.34 H new ATOM 0 HD2 LYS A 51 -4.090 -10.733 -24.304 1.00 72.41 H new ATOM 0 HD3 LYS A 51 -2.800 -10.016 -25.250 1.00 72.41 H new ATOM 0 HE2 LYS A 51 -2.410 -12.057 -23.009 1.00 55.12 H new ATOM 0 HE3 LYS A 51 -2.369 -12.420 -24.722 1.00 55.12 H new ATOM 0 HZ1 LYS A 51 -0.149 -12.175 -24.000 1.00 75.14 H new ATOM 0 HZ2 LYS A 51 -0.503 -10.779 -24.898 1.00 75.14 H new ATOM 0 HZ3 LYS A 51 -0.474 -10.712 -23.201 1.00 75.14 H new ATOM 829 N THR A 52 -5.234 -4.918 -22.520 1.00 73.14 N ATOM 830 CA THR A 52 -5.969 -3.750 -23.093 1.00 63.42 C ATOM 831 C THR A 52 -5.185 -2.435 -22.888 1.00 11.45 C ATOM 832 O THR A 52 -5.228 -1.535 -23.732 1.00 2.51 O ATOM 833 CB THR A 52 -7.404 -3.599 -22.477 1.00 71.11 C ATOM 834 OG1 THR A 52 -7.320 -3.249 -21.084 1.00 53.22 O ATOM 835 CG2 THR A 52 -8.219 -4.899 -22.624 1.00 35.31 C ATOM 0 H THR A 52 -5.525 -5.165 -21.574 1.00 73.14 H new ATOM 0 HA THR A 52 -6.069 -3.945 -24.161 1.00 63.42 H new ATOM 0 HB THR A 52 -7.911 -2.805 -23.025 1.00 71.11 H new ATOM 0 HG1 THR A 52 -6.837 -3.950 -20.599 1.00 53.22 H new ATOM 0 HG21 THR A 52 -9.208 -4.760 -22.187 1.00 35.31 H new ATOM 0 HG22 THR A 52 -8.321 -5.147 -23.680 1.00 35.31 H new ATOM 0 HG23 THR A 52 -7.705 -5.711 -22.109 1.00 35.31 H new ATOM 843 N GLU A 53 -4.466 -2.356 -21.757 1.00 44.31 N ATOM 844 CA GLU A 53 -3.627 -1.203 -21.383 1.00 53.41 C ATOM 845 C GLU A 53 -2.589 -1.651 -20.335 1.00 65.03 C ATOM 846 O GLU A 53 -2.889 -2.493 -19.484 1.00 50.30 O ATOM 847 CB GLU A 53 -4.507 -0.036 -20.837 1.00 23.40 C ATOM 848 CG GLU A 53 -3.726 1.213 -20.367 1.00 42.31 C ATOM 849 CD GLU A 53 -4.638 2.414 -20.058 1.00 50.10 C ATOM 850 OE1 GLU A 53 -5.325 2.400 -19.009 1.00 0.54 O ATOM 851 OE2 GLU A 53 -4.694 3.363 -20.873 1.00 63.10 O ATOM 0 H GLU A 53 -4.450 -3.104 -21.064 1.00 44.31 H new ATOM 0 HA GLU A 53 -3.104 -0.834 -22.265 1.00 53.41 H new ATOM 0 HB2 GLU A 53 -5.207 0.265 -21.616 1.00 23.40 H new ATOM 0 HB3 GLU A 53 -5.100 -0.409 -20.002 1.00 23.40 H new ATOM 0 HG2 GLU A 53 -3.152 0.961 -19.475 1.00 42.31 H new ATOM 0 HG3 GLU A 53 -3.009 1.497 -21.137 1.00 42.31 H new ATOM 858 N GLN A 54 -1.366 -1.101 -20.423 1.00 71.23 N ATOM 859 CA GLN A 54 -0.276 -1.406 -19.467 1.00 44.44 C ATOM 860 C GLN A 54 0.656 -0.197 -19.222 1.00 20.23 C ATOM 861 O GLN A 54 0.855 0.646 -20.099 1.00 42.25 O ATOM 862 CB GLN A 54 0.548 -2.636 -19.942 1.00 41.23 C ATOM 863 CG GLN A 54 1.229 -2.489 -21.322 1.00 13.42 C ATOM 864 CD GLN A 54 2.055 -3.718 -21.726 1.00 22.33 C ATOM 865 OE1 GLN A 54 1.759 -4.840 -21.335 1.00 72.42 O ATOM 866 NE2 GLN A 54 3.089 -3.519 -22.519 1.00 63.42 N ATOM 0 H GLN A 54 -1.102 -0.437 -21.151 1.00 71.23 H new ATOM 0 HA GLN A 54 -0.753 -1.642 -18.516 1.00 44.44 H new ATOM 0 HB2 GLN A 54 1.316 -2.846 -19.198 1.00 41.23 H new ATOM 0 HB3 GLN A 54 -0.112 -3.503 -19.972 1.00 41.23 H new ATOM 0 HG2 GLN A 54 0.465 -2.308 -22.079 1.00 13.42 H new ATOM 0 HG3 GLN A 54 1.877 -1.613 -21.308 1.00 13.42 H new ATOM 0 HE21 GLN A 54 3.317 -2.576 -22.833 1.00 63.42 H new ATOM 0 HE22 GLN A 54 3.661 -4.308 -22.819 1.00 63.42 H new ATOM 875 N ARG A 55 1.195 -0.121 -17.987 1.00 24.42 N ATOM 876 CA ARG A 55 2.273 0.827 -17.597 1.00 23.44 C ATOM 877 C ARG A 55 3.419 0.041 -16.924 1.00 61.21 C ATOM 878 O ARG A 55 3.308 -1.167 -16.703 1.00 71.22 O ATOM 879 CB ARG A 55 1.782 1.938 -16.608 1.00 3.33 C ATOM 880 CG ARG A 55 0.776 2.993 -17.152 1.00 21.33 C ATOM 881 CD ARG A 55 -0.671 2.485 -17.229 1.00 32.15 C ATOM 882 NE ARG A 55 -1.652 3.581 -17.299 1.00 61.23 N ATOM 883 CZ ARG A 55 -2.923 3.474 -16.979 1.00 11.12 C ATOM 884 NH1 ARG A 55 -3.444 2.335 -16.642 1.00 4.54 N ATOM 885 NH2 ARG A 55 -3.675 4.508 -17.024 1.00 53.30 N ATOM 0 H ARG A 55 0.894 -0.721 -17.220 1.00 24.42 H new ATOM 0 HA ARG A 55 2.608 1.322 -18.509 1.00 23.44 H new ATOM 0 HB2 ARG A 55 1.322 1.446 -15.751 1.00 3.33 H new ATOM 0 HB3 ARG A 55 2.659 2.469 -16.238 1.00 3.33 H new ATOM 0 HG2 ARG A 55 0.808 3.876 -16.513 1.00 21.33 H new ATOM 0 HG3 ARG A 55 1.095 3.307 -18.146 1.00 21.33 H new ATOM 0 HD2 ARG A 55 -0.782 1.846 -18.105 1.00 32.15 H new ATOM 0 HD3 ARG A 55 -0.883 1.868 -16.356 1.00 32.15 H new ATOM 0 HE ARG A 55 -1.321 4.491 -17.620 1.00 61.23 H new ATOM 0 HH11 ARG A 55 -2.865 1.496 -16.621 1.00 4.54 H new ATOM 0 HH12 ARG A 55 -4.433 2.279 -16.398 1.00 4.54 H new ATOM 0 HH21 ARG A 55 -3.288 5.408 -17.307 1.00 53.30 H new ATOM 0 HH22 ARG A 55 -4.662 4.432 -16.777 1.00 53.30 H new ATOM 899 N GLN A 56 4.518 0.739 -16.594 1.00 41.01 N ATOM 900 CA GLN A 56 5.667 0.161 -15.856 1.00 61.22 C ATOM 901 C GLN A 56 6.050 1.057 -14.654 1.00 34.32 C ATOM 902 O GLN A 56 5.728 2.249 -14.638 1.00 35.30 O ATOM 903 CB GLN A 56 6.879 -0.020 -16.810 1.00 2.44 C ATOM 904 CG GLN A 56 6.615 -0.969 -17.997 1.00 44.51 C ATOM 905 CD GLN A 56 7.835 -1.217 -18.892 1.00 64.10 C ATOM 906 OE1 GLN A 56 8.693 -0.355 -19.060 1.00 60.41 O ATOM 907 NE2 GLN A 56 7.924 -2.404 -19.466 1.00 54.03 N ATOM 0 H GLN A 56 4.641 1.724 -16.830 1.00 41.01 H new ATOM 0 HA GLN A 56 5.377 -0.817 -15.472 1.00 61.22 H new ATOM 0 HB2 GLN A 56 7.170 0.956 -17.198 1.00 2.44 H new ATOM 0 HB3 GLN A 56 7.724 -0.400 -16.237 1.00 2.44 H new ATOM 0 HG2 GLN A 56 6.262 -1.925 -17.611 1.00 44.51 H new ATOM 0 HG3 GLN A 56 5.811 -0.555 -18.606 1.00 44.51 H new ATOM 0 HE21 GLN A 56 7.197 -3.102 -19.309 1.00 54.03 H new ATOM 0 HE22 GLN A 56 8.720 -2.622 -20.066 1.00 54.03 H new ATOM 916 N ALA A 57 6.742 0.464 -13.649 1.00 11.30 N ATOM 917 CA ALA A 57 7.201 1.184 -12.430 1.00 15.22 C ATOM 918 C ALA A 57 8.531 0.621 -11.883 1.00 24.42 C ATOM 919 O ALA A 57 8.687 -0.589 -11.724 1.00 72.23 O ATOM 920 CB ALA A 57 6.131 1.142 -11.325 1.00 41.33 C ATOM 0 H ALA A 57 6.998 -0.523 -13.659 1.00 11.30 H new ATOM 0 HA ALA A 57 7.369 2.219 -12.729 1.00 15.22 H new ATOM 0 HB1 ALA A 57 6.494 1.676 -10.447 1.00 41.33 H new ATOM 0 HB2 ALA A 57 5.217 1.615 -11.685 1.00 41.33 H new ATOM 0 HB3 ALA A 57 5.923 0.106 -11.059 1.00 41.33 H new ATOM 926 N GLY A 58 9.477 1.527 -11.571 1.00 13.32 N ATOM 927 CA GLY A 58 10.763 1.155 -10.967 1.00 55.10 C ATOM 928 C GLY A 58 10.741 1.212 -9.436 1.00 33.42 C ATOM 929 O GLY A 58 10.172 2.144 -8.857 1.00 12.43 O ATOM 0 H GLY A 58 9.370 2.529 -11.730 1.00 13.32 H new ATOM 0 HA2 GLY A 58 11.030 0.147 -11.284 1.00 55.10 H new ATOM 0 HA3 GLY A 58 11.540 1.822 -11.339 1.00 55.10 H new ATOM 933 N ILE A 59 11.355 0.206 -8.777 1.00 20.54 N ATOM 934 CA ILE A 59 11.469 0.159 -7.296 1.00 2.11 C ATOM 935 C ILE A 59 12.514 1.205 -6.847 1.00 2.31 C ATOM 936 O ILE A 59 13.663 1.156 -7.296 1.00 61.50 O ATOM 937 CB ILE A 59 11.894 -1.267 -6.729 1.00 53.15 C ATOM 938 CG1 ILE A 59 10.893 -2.412 -7.135 1.00 22.34 C ATOM 939 CG2 ILE A 59 12.040 -1.211 -5.179 1.00 31.01 C ATOM 940 CD1 ILE A 59 10.913 -2.819 -8.599 1.00 54.55 C ATOM 0 H ILE A 59 11.783 -0.591 -9.248 1.00 20.54 H new ATOM 0 HA ILE A 59 10.478 0.373 -6.896 1.00 2.11 H new ATOM 0 HB ILE A 59 12.855 -1.510 -7.182 1.00 53.15 H new ATOM 0 HG12 ILE A 59 11.112 -3.292 -6.530 1.00 22.34 H new ATOM 0 HG13 ILE A 59 9.882 -2.093 -6.880 1.00 22.34 H new ATOM 0 HG21 ILE A 59 12.331 -2.193 -4.805 1.00 31.01 H new ATOM 0 HG22 ILE A 59 12.803 -0.480 -4.912 1.00 31.01 H new ATOM 0 HG23 ILE A 59 11.088 -0.921 -4.734 1.00 31.01 H new ATOM 0 HD11 ILE A 59 10.186 -3.614 -8.766 1.00 54.55 H new ATOM 0 HD12 ILE A 59 10.660 -1.959 -9.219 1.00 54.55 H new ATOM 0 HD13 ILE A 59 11.908 -3.177 -8.864 1.00 54.55 H new ATOM 952 N VAL A 60 12.129 2.143 -5.966 1.00 11.44 N ATOM 953 CA VAL A 60 13.022 3.250 -5.549 1.00 52.22 C ATOM 954 C VAL A 60 13.598 3.028 -4.128 1.00 40.25 C ATOM 955 O VAL A 60 14.660 3.574 -3.801 1.00 1.33 O ATOM 956 CB VAL A 60 12.286 4.634 -5.669 1.00 13.04 C ATOM 957 CG1 VAL A 60 11.921 4.916 -7.151 1.00 64.35 C ATOM 958 CG2 VAL A 60 11.028 4.707 -4.762 1.00 21.41 C ATOM 0 H VAL A 60 11.209 2.162 -5.527 1.00 11.44 H new ATOM 0 HA VAL A 60 13.873 3.262 -6.230 1.00 52.22 H new ATOM 0 HB VAL A 60 12.971 5.407 -5.320 1.00 13.04 H new ATOM 0 HG11 VAL A 60 11.412 5.877 -7.224 1.00 64.35 H new ATOM 0 HG12 VAL A 60 12.830 4.941 -7.751 1.00 64.35 H new ATOM 0 HG13 VAL A 60 11.264 4.128 -7.520 1.00 64.35 H new ATOM 0 HG21 VAL A 60 10.552 5.681 -4.878 1.00 21.41 H new ATOM 0 HG22 VAL A 60 10.326 3.924 -5.049 1.00 21.41 H new ATOM 0 HG23 VAL A 60 11.321 4.568 -3.721 1.00 21.41 H new ATOM 968 N ALA A 61 12.896 2.217 -3.304 1.00 13.13 N ATOM 969 CA ALA A 61 13.394 1.774 -1.980 1.00 61.51 C ATOM 970 C ALA A 61 12.515 0.642 -1.398 1.00 13.42 C ATOM 971 O ALA A 61 11.291 0.647 -1.567 1.00 70.12 O ATOM 972 CB ALA A 61 13.467 2.951 -0.985 1.00 3.31 C ATOM 0 H ALA A 61 11.972 1.852 -3.536 1.00 13.13 H new ATOM 0 HA ALA A 61 14.401 1.386 -2.130 1.00 61.51 H new ATOM 0 HB1 ALA A 61 13.836 2.593 -0.024 1.00 3.31 H new ATOM 0 HB2 ALA A 61 14.143 3.713 -1.372 1.00 3.31 H new ATOM 0 HB3 ALA A 61 12.473 3.380 -0.855 1.00 3.31 H new ATOM 978 N ILE A 62 13.164 -0.316 -0.711 1.00 41.31 N ATOM 979 CA ILE A 62 12.490 -1.439 -0.010 1.00 44.13 C ATOM 980 C ILE A 62 13.464 -2.109 0.998 1.00 32.01 C ATOM 981 O ILE A 62 14.681 -2.128 0.779 1.00 72.42 O ATOM 982 CB ILE A 62 11.926 -2.528 -1.023 1.00 32.22 C ATOM 983 CG1 ILE A 62 11.190 -3.689 -0.259 1.00 2.12 C ATOM 984 CG2 ILE A 62 13.045 -3.068 -1.947 1.00 75.35 C ATOM 985 CD1 ILE A 62 10.661 -4.817 -1.128 1.00 3.30 C ATOM 0 H ILE A 62 14.180 -0.338 -0.622 1.00 41.31 H new ATOM 0 HA ILE A 62 11.641 -1.018 0.528 1.00 44.13 H new ATOM 0 HB ILE A 62 11.188 -2.041 -1.660 1.00 32.22 H new ATOM 0 HG12 ILE A 62 11.878 -4.111 0.473 1.00 2.12 H new ATOM 0 HG13 ILE A 62 10.356 -3.262 0.297 1.00 2.12 H new ATOM 0 HG21 ILE A 62 12.628 -3.810 -2.628 1.00 75.35 H new ATOM 0 HG22 ILE A 62 13.470 -2.246 -2.523 1.00 75.35 H new ATOM 0 HG23 ILE A 62 13.826 -3.529 -1.342 1.00 75.35 H new ATOM 0 HD11 ILE A 62 10.173 -5.562 -0.500 1.00 3.30 H new ATOM 0 HD12 ILE A 62 9.942 -4.418 -1.844 1.00 3.30 H new ATOM 0 HD13 ILE A 62 11.488 -5.281 -1.665 1.00 3.30 H new ATOM 997 N ARG A 63 12.914 -2.656 2.100 1.00 20.22 N ATOM 998 CA ARG A 63 13.686 -3.438 3.090 1.00 22.23 C ATOM 999 C ARG A 63 12.780 -4.494 3.765 1.00 72.43 C ATOM 1000 O ARG A 63 11.957 -4.146 4.623 1.00 64.30 O ATOM 1001 CB ARG A 63 14.327 -2.511 4.153 1.00 11.53 C ATOM 1002 CG ARG A 63 15.170 -3.253 5.212 1.00 32.45 C ATOM 1003 CD ARG A 63 15.808 -2.315 6.243 1.00 72.32 C ATOM 1004 NE ARG A 63 16.654 -3.070 7.188 1.00 30.44 N ATOM 1005 CZ ARG A 63 17.765 -2.642 7.736 1.00 63.52 C ATOM 1006 NH1 ARG A 63 18.210 -1.445 7.519 1.00 22.12 N ATOM 1007 NH2 ARG A 63 18.429 -3.436 8.503 1.00 34.53 N ATOM 0 H ARG A 63 11.924 -2.569 2.330 1.00 20.22 H new ATOM 0 HA ARG A 63 14.490 -3.953 2.565 1.00 22.23 H new ATOM 0 HB2 ARG A 63 14.959 -1.780 3.648 1.00 11.53 H new ATOM 0 HB3 ARG A 63 13.537 -1.955 4.658 1.00 11.53 H new ATOM 0 HG2 ARG A 63 14.538 -3.975 5.729 1.00 32.45 H new ATOM 0 HG3 ARG A 63 15.955 -3.819 4.711 1.00 32.45 H new ATOM 0 HD2 ARG A 63 16.408 -1.562 5.733 1.00 72.32 H new ATOM 0 HD3 ARG A 63 15.028 -1.785 6.790 1.00 72.32 H new ATOM 0 HE ARG A 63 16.346 -4.010 7.437 1.00 30.44 H new ATOM 0 HH11 ARG A 63 17.693 -0.811 6.909 1.00 22.12 H new ATOM 0 HH12 ARG A 63 19.077 -1.136 7.958 1.00 22.12 H new ATOM 0 HH21 ARG A 63 18.088 -4.382 8.676 1.00 34.53 H new ATOM 0 HH22 ARG A 63 19.296 -3.119 8.938 1.00 34.53 H new ATOM 1021 N ALA A 64 12.953 -5.772 3.350 1.00 44.51 N ATOM 1022 CA ALA A 64 12.204 -6.950 3.859 1.00 4.32 C ATOM 1023 C ALA A 64 10.659 -6.783 3.739 1.00 34.24 C ATOM 1024 O ALA A 64 10.039 -7.247 2.777 1.00 23.14 O ATOM 1025 CB ALA A 64 12.641 -7.296 5.302 1.00 61.43 C ATOM 0 H ALA A 64 13.635 -6.020 2.633 1.00 44.51 H new ATOM 0 HA ALA A 64 12.459 -7.794 3.218 1.00 4.32 H new ATOM 0 HB1 ALA A 64 12.080 -8.161 5.654 1.00 61.43 H new ATOM 0 HB2 ALA A 64 13.707 -7.525 5.314 1.00 61.43 H new ATOM 0 HB3 ALA A 64 12.445 -6.446 5.955 1.00 61.43 H new ATOM 1031 N TYR A 65 10.066 -6.095 4.721 1.00 15.02 N ATOM 1032 CA TYR A 65 8.624 -5.758 4.754 1.00 51.20 C ATOM 1033 C TYR A 65 8.416 -4.362 5.385 1.00 2.02 C ATOM 1034 O TYR A 65 7.364 -3.744 5.193 1.00 23.23 O ATOM 1035 CB TYR A 65 7.842 -6.821 5.573 1.00 54.32 C ATOM 1036 CG TYR A 65 8.171 -6.838 7.087 1.00 1.12 C ATOM 1037 CD1 TYR A 65 9.276 -7.533 7.584 1.00 60.44 C ATOM 1038 CD2 TYR A 65 7.376 -6.145 8.014 1.00 4.33 C ATOM 1039 CE1 TYR A 65 9.571 -7.545 8.935 1.00 50.24 C ATOM 1040 CE2 TYR A 65 7.667 -6.154 9.364 1.00 52.01 C ATOM 1041 CZ TYR A 65 8.766 -6.852 9.821 1.00 43.42 C ATOM 1042 OH TYR A 65 9.053 -6.872 11.175 1.00 73.32 O ATOM 0 H TYR A 65 10.577 -5.747 5.533 1.00 15.02 H new ATOM 0 HA TYR A 65 8.248 -5.748 3.731 1.00 51.20 H new ATOM 0 HB2 TYR A 65 6.774 -6.643 5.449 1.00 54.32 H new ATOM 0 HB3 TYR A 65 8.051 -7.807 5.158 1.00 54.32 H new ATOM 0 HD1 TYR A 65 9.913 -8.072 6.899 1.00 60.44 H new ATOM 0 HD2 TYR A 65 6.517 -5.592 7.663 1.00 4.33 H new ATOM 0 HE1 TYR A 65 10.428 -8.094 9.297 1.00 50.24 H new ATOM 0 HE2 TYR A 65 7.038 -5.617 10.058 1.00 52.01 H new ATOM 0 HH TYR A 65 8.391 -6.334 11.658 1.00 73.32 H new ATOM 1052 N SER A 66 9.448 -3.901 6.148 1.00 24.41 N ATOM 1053 CA SER A 66 9.389 -2.704 7.019 1.00 42.02 C ATOM 1054 C SER A 66 8.900 -1.465 6.255 1.00 12.23 C ATOM 1055 O SER A 66 8.059 -0.723 6.750 1.00 72.22 O ATOM 1056 CB SER A 66 10.785 -2.442 7.636 1.00 53.11 C ATOM 1057 OG SER A 66 11.264 -3.592 8.320 1.00 25.55 O ATOM 0 H SER A 66 10.357 -4.363 6.171 1.00 24.41 H new ATOM 0 HA SER A 66 8.669 -2.898 7.814 1.00 42.02 H new ATOM 0 HB2 SER A 66 11.487 -2.163 6.850 1.00 53.11 H new ATOM 0 HB3 SER A 66 10.729 -1.601 8.327 1.00 53.11 H new ATOM 0 HG SER A 66 12.147 -3.403 8.699 1.00 25.55 H new ATOM 1063 N PHE A 67 9.434 -1.284 5.038 1.00 52.23 N ATOM 1064 CA PHE A 67 8.985 -0.237 4.094 1.00 32.23 C ATOM 1065 C PHE A 67 9.188 -0.687 2.631 1.00 10.45 C ATOM 1066 O PHE A 67 10.108 -1.461 2.329 1.00 31.12 O ATOM 1067 CB PHE A 67 9.713 1.113 4.363 1.00 70.23 C ATOM 1068 CG PHE A 67 11.244 1.078 4.252 1.00 14.23 C ATOM 1069 CD1 PHE A 67 11.891 1.299 3.030 1.00 72.34 C ATOM 1070 CD2 PHE A 67 12.039 0.844 5.376 1.00 20.21 C ATOM 1071 CE1 PHE A 67 13.269 1.289 2.938 1.00 12.23 C ATOM 1072 CE2 PHE A 67 13.419 0.832 5.280 1.00 55.12 C ATOM 1073 CZ PHE A 67 14.034 1.059 4.062 1.00 21.45 C ATOM 0 H PHE A 67 10.193 -1.860 4.675 1.00 52.23 H new ATOM 0 HA PHE A 67 7.918 -0.081 4.256 1.00 32.23 H new ATOM 0 HB2 PHE A 67 9.333 1.856 3.661 1.00 70.23 H new ATOM 0 HB3 PHE A 67 9.447 1.455 5.363 1.00 70.23 H new ATOM 0 HD1 PHE A 67 11.302 1.481 2.143 1.00 72.34 H new ATOM 0 HD2 PHE A 67 11.570 0.670 6.333 1.00 20.21 H new ATOM 0 HE1 PHE A 67 13.748 1.461 1.985 1.00 12.23 H new ATOM 0 HE2 PHE A 67 14.018 0.645 6.159 1.00 55.12 H new ATOM 0 HZ PHE A 67 15.112 1.056 3.991 1.00 21.45 H new ATOM 1083 N ILE A 68 8.308 -0.209 1.739 1.00 23.34 N ATOM 1084 CA ILE A 68 8.395 -0.461 0.284 1.00 11.13 C ATOM 1085 C ILE A 68 7.737 0.694 -0.512 1.00 13.21 C ATOM 1086 O ILE A 68 6.682 1.191 -0.132 1.00 62.43 O ATOM 1087 CB ILE A 68 7.739 -1.840 -0.108 1.00 44.43 C ATOM 1088 CG1 ILE A 68 7.866 -2.097 -1.650 1.00 42.32 C ATOM 1089 CG2 ILE A 68 6.268 -1.921 0.375 1.00 63.25 C ATOM 1090 CD1 ILE A 68 7.357 -3.446 -2.116 1.00 64.21 C ATOM 0 H ILE A 68 7.509 0.367 2.004 1.00 23.34 H new ATOM 0 HA ILE A 68 9.452 -0.509 0.024 1.00 11.13 H new ATOM 0 HB ILE A 68 8.284 -2.634 0.402 1.00 44.43 H new ATOM 0 HG12 ILE A 68 7.320 -1.316 -2.180 1.00 42.32 H new ATOM 0 HG13 ILE A 68 8.914 -2.002 -1.934 1.00 42.32 H new ATOM 0 HG21 ILE A 68 5.844 -2.884 0.089 1.00 63.25 H new ATOM 0 HG22 ILE A 68 6.235 -1.817 1.460 1.00 63.25 H new ATOM 0 HG23 ILE A 68 5.690 -1.119 -0.084 1.00 63.25 H new ATOM 0 HD11 ILE A 68 7.487 -3.531 -3.195 1.00 64.21 H new ATOM 0 HD12 ILE A 68 7.918 -4.238 -1.620 1.00 64.21 H new ATOM 0 HD13 ILE A 68 6.300 -3.541 -1.869 1.00 64.21 H new ATOM 1102 N ARG A 69 8.371 1.117 -1.624 1.00 63.31 N ATOM 1103 CA ARG A 69 7.840 2.194 -2.489 1.00 74.34 C ATOM 1104 C ARG A 69 8.346 2.075 -3.946 1.00 12.25 C ATOM 1105 O ARG A 69 9.516 1.757 -4.200 1.00 42.23 O ATOM 1106 CB ARG A 69 8.125 3.630 -1.915 1.00 1.42 C ATOM 1107 CG ARG A 69 9.563 3.924 -1.374 1.00 75.41 C ATOM 1108 CD ARG A 69 9.805 3.410 0.071 1.00 25.54 C ATOM 1109 NE ARG A 69 10.861 4.167 0.776 1.00 4.41 N ATOM 1110 CZ ARG A 69 10.858 4.469 2.060 1.00 3.51 C ATOM 1111 NH1 ARG A 69 9.895 4.099 2.845 1.00 5.31 N ATOM 1112 NH2 ARG A 69 11.829 5.147 2.555 1.00 65.31 N ATOM 0 H ARG A 69 9.257 0.728 -1.947 1.00 63.31 H new ATOM 0 HA ARG A 69 6.758 2.059 -2.499 1.00 74.34 H new ATOM 0 HB2 ARG A 69 7.907 4.354 -2.700 1.00 1.42 H new ATOM 0 HB3 ARG A 69 7.418 3.814 -1.106 1.00 1.42 H new ATOM 0 HG2 ARG A 69 10.293 3.464 -2.040 1.00 75.41 H new ATOM 0 HG3 ARG A 69 9.739 4.999 -1.402 1.00 75.41 H new ATOM 0 HD2 ARG A 69 8.876 3.478 0.637 1.00 25.54 H new ATOM 0 HD3 ARG A 69 10.081 2.356 0.036 1.00 25.54 H new ATOM 0 HE ARG A 69 11.658 4.482 0.224 1.00 4.41 H new ATOM 0 HH11 ARG A 69 9.113 3.560 2.474 1.00 5.31 H new ATOM 0 HH12 ARG A 69 9.919 4.347 3.834 1.00 5.31 H new ATOM 0 HH21 ARG A 69 12.597 5.449 1.956 1.00 65.31 H new ATOM 0 HH22 ARG A 69 11.832 5.384 3.547 1.00 65.31 H new ATOM 1126 N PHE A 70 7.417 2.328 -4.889 1.00 64.15 N ATOM 1127 CA PHE A 70 7.670 2.335 -6.348 1.00 33.23 C ATOM 1128 C PHE A 70 7.513 3.771 -6.908 1.00 32.13 C ATOM 1129 O PHE A 70 6.980 4.658 -6.231 1.00 51.14 O ATOM 1130 CB PHE A 70 6.649 1.410 -7.081 1.00 15.34 C ATOM 1131 CG PHE A 70 6.642 -0.057 -6.639 1.00 22.12 C ATOM 1132 CD1 PHE A 70 5.970 -0.456 -5.480 1.00 65.40 C ATOM 1133 CD2 PHE A 70 7.282 -1.041 -7.395 1.00 63.45 C ATOM 1134 CE1 PHE A 70 5.955 -1.781 -5.087 1.00 43.03 C ATOM 1135 CE2 PHE A 70 7.260 -2.366 -6.999 1.00 32.11 C ATOM 1136 CZ PHE A 70 6.594 -2.737 -5.850 1.00 13.34 C ATOM 0 H PHE A 70 6.447 2.538 -4.654 1.00 64.15 H new ATOM 0 HA PHE A 70 8.685 1.974 -6.517 1.00 33.23 H new ATOM 0 HB2 PHE A 70 5.649 1.818 -6.936 1.00 15.34 H new ATOM 0 HB3 PHE A 70 6.857 1.447 -8.150 1.00 15.34 H new ATOM 0 HD1 PHE A 70 5.455 0.282 -4.883 1.00 65.40 H new ATOM 0 HD2 PHE A 70 7.801 -0.764 -8.301 1.00 63.45 H new ATOM 0 HE1 PHE A 70 5.442 -2.069 -4.181 1.00 43.03 H new ATOM 0 HE2 PHE A 70 7.766 -3.113 -7.592 1.00 32.11 H new ATOM 0 HZ PHE A 70 6.572 -3.774 -5.548 1.00 13.34 H new ATOM 1146 N HIS A 71 7.988 3.979 -8.148 1.00 71.12 N ATOM 1147 CA HIS A 71 7.677 5.174 -8.971 1.00 31.21 C ATOM 1148 C HIS A 71 7.340 4.737 -10.408 1.00 74.23 C ATOM 1149 O HIS A 71 8.146 4.063 -11.057 1.00 24.43 O ATOM 1150 CB HIS A 71 8.836 6.213 -8.982 1.00 61.41 C ATOM 1151 CG HIS A 71 8.895 7.102 -7.769 1.00 20.22 C ATOM 1152 ND1 HIS A 71 10.044 7.734 -7.360 1.00 13.41 N ATOM 1153 CD2 HIS A 71 7.929 7.514 -6.918 1.00 42.42 C ATOM 1154 CE1 HIS A 71 9.786 8.488 -6.315 1.00 54.45 C ATOM 1155 NE2 HIS A 71 8.510 8.379 -6.025 1.00 1.30 N ATOM 0 H HIS A 71 8.606 3.318 -8.618 1.00 71.12 H new ATOM 0 HA HIS A 71 6.817 5.668 -8.519 1.00 31.21 H new ATOM 0 HB2 HIS A 71 9.783 5.680 -9.072 1.00 61.41 H new ATOM 0 HB3 HIS A 71 8.737 6.838 -9.869 1.00 61.41 H new ATOM 0 HD1 HIS A 71 10.958 7.633 -7.800 1.00 13.41 H new ATOM 0 HD2 HIS A 71 6.891 7.217 -6.937 1.00 42.42 H new ATOM 0 HE1 HIS A 71 10.503 9.096 -5.784 1.00 54.45 H new ATOM 1164 N TRP A 72 6.153 5.148 -10.894 1.00 1.02 N ATOM 1165 CA TRP A 72 5.651 4.784 -12.235 1.00 53.51 C ATOM 1166 C TRP A 72 6.498 5.449 -13.348 1.00 52.00 C ATOM 1167 O TRP A 72 6.543 6.677 -13.460 1.00 72.04 O ATOM 1168 CB TRP A 72 4.144 5.152 -12.374 1.00 31.32 C ATOM 1169 CG TRP A 72 3.225 4.331 -11.481 1.00 42.34 C ATOM 1170 CD1 TRP A 72 3.246 4.262 -10.112 1.00 14.44 C ATOM 1171 CD2 TRP A 72 2.145 3.479 -11.897 1.00 31.50 C ATOM 1172 NE1 TRP A 72 2.263 3.424 -9.663 1.00 21.51 N ATOM 1173 CE2 TRP A 72 1.570 2.934 -10.733 1.00 35.45 C ATOM 1174 CE3 TRP A 72 1.609 3.129 -13.139 1.00 2.03 C ATOM 1175 CZ2 TRP A 72 0.492 2.055 -10.774 1.00 11.01 C ATOM 1176 CZ3 TRP A 72 0.534 2.258 -13.180 1.00 60.54 C ATOM 1177 CH2 TRP A 72 -0.016 1.731 -12.003 1.00 72.11 C ATOM 0 H TRP A 72 5.513 5.743 -10.367 1.00 1.02 H new ATOM 0 HA TRP A 72 5.747 3.705 -12.353 1.00 53.51 H new ATOM 0 HB2 TRP A 72 4.015 6.208 -12.139 1.00 31.32 H new ATOM 0 HB3 TRP A 72 3.841 5.017 -13.412 1.00 31.32 H new ATOM 0 HD1 TRP A 72 3.940 4.794 -9.478 1.00 14.44 H new ATOM 0 HE1 TRP A 72 2.077 3.201 -8.685 1.00 21.51 H new ATOM 0 HE3 TRP A 72 2.026 3.531 -14.051 1.00 2.03 H new ATOM 0 HZ2 TRP A 72 0.071 1.643 -9.869 1.00 11.01 H new ATOM 0 HZ3 TRP A 72 0.112 1.980 -14.134 1.00 60.54 H new ATOM 0 HH2 TRP A 72 -0.857 1.056 -12.067 1.00 72.11 H new ATOM 1188 N LEU A 73 7.190 4.611 -14.142 1.00 3.44 N ATOM 1189 CA LEU A 73 8.033 5.058 -15.276 1.00 22.20 C ATOM 1190 C LEU A 73 7.170 5.677 -16.405 1.00 40.21 C ATOM 1191 O LEU A 73 7.618 6.574 -17.130 1.00 42.30 O ATOM 1192 CB LEU A 73 8.852 3.856 -15.814 1.00 13.33 C ATOM 1193 CG LEU A 73 9.702 3.078 -14.756 1.00 4.03 C ATOM 1194 CD1 LEU A 73 10.453 1.891 -15.396 1.00 22.21 C ATOM 1195 CD2 LEU A 73 10.670 4.021 -14.001 1.00 75.41 C ATOM 0 H LEU A 73 7.183 3.599 -14.018 1.00 3.44 H new ATOM 0 HA LEU A 73 8.715 5.831 -14.922 1.00 22.20 H new ATOM 0 HB2 LEU A 73 8.164 3.154 -16.285 1.00 13.33 H new ATOM 0 HB3 LEU A 73 9.522 4.218 -16.594 1.00 13.33 H new ATOM 0 HG LEU A 73 9.010 2.667 -14.021 1.00 4.03 H new ATOM 0 HD11 LEU A 73 11.033 1.373 -14.632 1.00 22.21 H new ATOM 0 HD12 LEU A 73 9.734 1.200 -15.836 1.00 22.21 H new ATOM 0 HD13 LEU A 73 11.123 2.260 -16.172 1.00 22.21 H new ATOM 0 HD21 LEU A 73 11.244 3.447 -13.274 1.00 75.41 H new ATOM 0 HD22 LEU A 73 11.350 4.490 -14.712 1.00 75.41 H new ATOM 0 HD23 LEU A 73 10.098 4.792 -13.484 1.00 75.41 H new ATOM 1311 N TYR A 81 4.227 8.928 -5.485 1.00 70.14 N ATOM 1312 CA TYR A 81 5.006 8.336 -4.388 1.00 64.40 C ATOM 1313 C TYR A 81 4.061 7.508 -3.496 1.00 22.14 C ATOM 1314 O TYR A 81 3.555 7.999 -2.478 1.00 23.01 O ATOM 1315 CB TYR A 81 5.773 9.410 -3.551 1.00 24.30 C ATOM 1316 CG TYR A 81 6.682 8.829 -2.448 1.00 2.24 C ATOM 1317 CD1 TYR A 81 7.838 8.108 -2.771 1.00 30.33 C ATOM 1318 CD2 TYR A 81 6.391 9.004 -1.087 1.00 2.24 C ATOM 1319 CE1 TYR A 81 8.661 7.590 -1.789 1.00 4.33 C ATOM 1320 CE2 TYR A 81 7.213 8.484 -0.105 1.00 65.14 C ATOM 1321 CZ TYR A 81 8.345 7.780 -0.460 1.00 45.54 C ATOM 1322 OH TYR A 81 9.166 7.264 0.523 1.00 41.20 O ATOM 0 HA TYR A 81 5.770 7.689 -4.819 1.00 64.40 H new ATOM 0 HB2 TYR A 81 6.381 10.013 -4.226 1.00 24.30 H new ATOM 0 HB3 TYR A 81 5.047 10.081 -3.091 1.00 24.30 H new ATOM 0 HD1 TYR A 81 8.092 7.953 -3.809 1.00 30.33 H new ATOM 0 HD2 TYR A 81 5.508 9.556 -0.801 1.00 2.24 H new ATOM 0 HE1 TYR A 81 9.549 7.038 -2.061 1.00 4.33 H new ATOM 0 HE2 TYR A 81 6.970 8.628 0.937 1.00 65.14 H new ATOM 0 HH TYR A 81 8.801 7.488 1.405 1.00 41.20 H new ATOM 1332 N PHE A 82 3.764 6.275 -3.933 1.00 13.02 N ATOM 1333 CA PHE A 82 2.941 5.342 -3.146 1.00 72.10 C ATOM 1334 C PHE A 82 3.868 4.479 -2.252 1.00 72.14 C ATOM 1335 O PHE A 82 4.604 3.614 -2.743 1.00 13.34 O ATOM 1336 CB PHE A 82 2.070 4.477 -4.100 1.00 61.22 C ATOM 1337 CG PHE A 82 0.955 3.686 -3.406 1.00 12.33 C ATOM 1338 CD1 PHE A 82 0.010 4.341 -2.613 1.00 64.24 C ATOM 1339 CD2 PHE A 82 0.838 2.302 -3.559 1.00 54.20 C ATOM 1340 CE1 PHE A 82 -1.005 3.637 -1.993 1.00 42.34 C ATOM 1341 CE2 PHE A 82 -0.178 1.602 -2.935 1.00 72.11 C ATOM 1342 CZ PHE A 82 -1.099 2.269 -2.152 1.00 24.32 C ATOM 0 H PHE A 82 4.081 5.900 -4.827 1.00 13.02 H new ATOM 0 HA PHE A 82 2.260 5.889 -2.494 1.00 72.10 H new ATOM 0 HB2 PHE A 82 1.622 5.127 -4.851 1.00 61.22 H new ATOM 0 HB3 PHE A 82 2.718 3.778 -4.629 1.00 61.22 H new ATOM 0 HD1 PHE A 82 0.073 5.411 -2.483 1.00 64.24 H new ATOM 0 HD2 PHE A 82 1.551 1.772 -4.173 1.00 54.20 H new ATOM 0 HE1 PHE A 82 -1.727 4.159 -1.382 1.00 42.34 H new ATOM 0 HE2 PHE A 82 -0.251 0.532 -3.060 1.00 72.11 H new ATOM 0 HZ PHE A 82 -1.892 1.721 -1.665 1.00 24.32 H new ATOM 1352 N GLU A 83 3.824 4.749 -0.937 1.00 52.12 N ATOM 1353 CA GLU A 83 4.720 4.136 0.070 1.00 41.33 C ATOM 1354 C GLU A 83 3.888 3.293 1.059 1.00 43.14 C ATOM 1355 O GLU A 83 2.828 3.727 1.511 1.00 15.51 O ATOM 1356 CB GLU A 83 5.487 5.279 0.811 1.00 2.54 C ATOM 1357 CG GLU A 83 6.812 4.903 1.507 1.00 22.21 C ATOM 1358 CD GLU A 83 6.689 3.953 2.715 1.00 31.04 C ATOM 1359 OE1 GLU A 83 6.087 4.360 3.738 1.00 21.11 O ATOM 1360 OE2 GLU A 83 7.205 2.812 2.647 1.00 55.31 O ATOM 0 H GLU A 83 3.158 5.407 -0.533 1.00 52.12 H new ATOM 0 HA GLU A 83 5.442 3.475 -0.410 1.00 41.33 H new ATOM 0 HB2 GLU A 83 5.697 6.068 0.089 1.00 2.54 H new ATOM 0 HB3 GLU A 83 4.819 5.702 1.561 1.00 2.54 H new ATOM 0 HG2 GLU A 83 7.469 4.440 0.770 1.00 22.21 H new ATOM 0 HG3 GLU A 83 7.300 5.820 1.838 1.00 22.21 H new ATOM 1367 N ILE A 84 4.356 2.072 1.358 1.00 2.45 N ATOM 1368 CA ILE A 84 3.707 1.166 2.317 1.00 24.30 C ATOM 1369 C ILE A 84 4.726 0.727 3.387 1.00 4.23 C ATOM 1370 O ILE A 84 5.678 -0.007 3.096 1.00 32.34 O ATOM 1371 CB ILE A 84 3.090 -0.112 1.627 1.00 41.32 C ATOM 1372 CG1 ILE A 84 2.067 0.262 0.492 1.00 11.22 C ATOM 1373 CG2 ILE A 84 2.433 -1.030 2.691 1.00 1.20 C ATOM 1374 CD1 ILE A 84 2.671 0.625 -0.852 1.00 31.05 C ATOM 0 H ILE A 84 5.201 1.683 0.939 1.00 2.45 H new ATOM 0 HA ILE A 84 2.886 1.718 2.773 1.00 24.30 H new ATOM 0 HB ILE A 84 3.904 -0.656 1.148 1.00 41.32 H new ATOM 0 HG12 ILE A 84 1.390 -0.580 0.349 1.00 11.22 H new ATOM 0 HG13 ILE A 84 1.463 1.102 0.836 1.00 11.22 H new ATOM 0 HG21 ILE A 84 2.011 -1.908 2.203 1.00 1.20 H new ATOM 0 HG22 ILE A 84 3.185 -1.344 3.415 1.00 1.20 H new ATOM 0 HG23 ILE A 84 1.641 -0.484 3.204 1.00 1.20 H new ATOM 0 HD11 ILE A 84 1.874 0.864 -1.556 1.00 31.05 H new ATOM 0 HD12 ILE A 84 3.324 1.490 -0.736 1.00 31.05 H new ATOM 0 HD13 ILE A 84 3.249 -0.218 -1.231 1.00 31.05 H new ATOM 1386 N LYS A 85 4.523 1.199 4.613 1.00 22.40 N ATOM 1387 CA LYS A 85 5.348 0.847 5.775 1.00 62.53 C ATOM 1388 C LYS A 85 4.513 -0.021 6.741 1.00 63.33 C ATOM 1389 O LYS A 85 3.425 0.382 7.139 1.00 74.45 O ATOM 1390 CB LYS A 85 5.829 2.180 6.438 1.00 50.51 C ATOM 1391 CG LYS A 85 6.915 2.077 7.553 1.00 71.05 C ATOM 1392 CD LYS A 85 6.369 1.725 8.964 1.00 20.42 C ATOM 1393 CE LYS A 85 5.321 2.738 9.462 1.00 32.13 C ATOM 1394 NZ LYS A 85 5.816 4.143 9.386 1.00 1.03 N ATOM 0 H LYS A 85 3.769 1.848 4.836 1.00 22.40 H new ATOM 0 HA LYS A 85 6.224 0.264 5.491 1.00 62.53 H new ATOM 0 HB2 LYS A 85 6.215 2.827 5.651 1.00 50.51 H new ATOM 0 HB3 LYS A 85 4.957 2.679 6.862 1.00 50.51 H new ATOM 0 HG2 LYS A 85 7.644 1.321 7.262 1.00 71.05 H new ATOM 0 HG3 LYS A 85 7.447 3.027 7.611 1.00 71.05 H new ATOM 0 HD2 LYS A 85 5.925 0.730 8.940 1.00 20.42 H new ATOM 0 HD3 LYS A 85 7.197 1.687 9.671 1.00 20.42 H new ATOM 0 HE2 LYS A 85 4.413 2.642 8.867 1.00 32.13 H new ATOM 0 HE3 LYS A 85 5.053 2.504 10.492 1.00 32.13 H new ATOM 0 HZ1 LYS A 85 5.611 4.632 10.281 1.00 1.03 H new ATOM 0 HZ2 LYS A 85 6.843 4.141 9.219 1.00 1.03 H new ATOM 0 HZ3 LYS A 85 5.340 4.637 8.605 1.00 1.03 H new ATOM 1408 N MET A 86 5.032 -1.196 7.148 1.00 50.30 N ATOM 1409 CA MET A 86 4.355 -2.074 8.133 1.00 63.04 C ATOM 1410 C MET A 86 5.358 -2.531 9.202 1.00 31.42 C ATOM 1411 O MET A 86 6.433 -3.045 8.891 1.00 31.54 O ATOM 1412 CB MET A 86 3.625 -3.278 7.461 1.00 23.33 C ATOM 1413 CG MET A 86 4.459 -4.158 6.514 1.00 52.53 C ATOM 1414 SD MET A 86 3.440 -5.068 5.315 1.00 25.14 S ATOM 1415 CE MET A 86 2.080 -5.683 6.320 1.00 14.35 C ATOM 0 H MET A 86 5.922 -1.563 6.810 1.00 50.30 H new ATOM 0 HA MET A 86 3.572 -1.492 8.619 1.00 63.04 H new ATOM 0 HB2 MET A 86 3.224 -3.914 8.250 1.00 23.33 H new ATOM 0 HB3 MET A 86 2.774 -2.889 6.901 1.00 23.33 H new ATOM 0 HG2 MET A 86 5.171 -3.532 5.977 1.00 52.53 H new ATOM 0 HG3 MET A 86 5.040 -4.868 7.103 1.00 52.53 H new ATOM 0 HE1 MET A 86 1.774 -6.664 5.957 1.00 14.35 H new ATOM 0 HE2 MET A 86 2.402 -5.764 7.358 1.00 14.35 H new ATOM 0 HE3 MET A 86 1.238 -4.993 6.255 1.00 14.35 H new ATOM 1425 N SER A 87 5.000 -2.302 10.472 1.00 52.21 N ATOM 1426 CA SER A 87 5.872 -2.590 11.630 1.00 53.22 C ATOM 1427 C SER A 87 5.155 -3.501 12.635 1.00 41.35 C ATOM 1428 O SER A 87 3.946 -3.385 12.837 1.00 61.13 O ATOM 1429 CB SER A 87 6.314 -1.269 12.315 1.00 32.31 C ATOM 1430 OG SER A 87 7.043 -0.439 11.418 1.00 63.23 O ATOM 0 H SER A 87 4.095 -1.910 10.732 1.00 52.21 H new ATOM 0 HA SER A 87 6.760 -3.110 11.270 1.00 53.22 H new ATOM 0 HB2 SER A 87 5.436 -0.734 12.677 1.00 32.31 H new ATOM 0 HB3 SER A 87 6.930 -1.497 13.185 1.00 32.31 H new ATOM 0 HG SER A 87 7.307 0.386 11.877 1.00 63.23 H new ATOM 1436 N TYR A 88 5.923 -4.384 13.285 1.00 24.31 N ATOM 1437 CA TYR A 88 5.392 -5.408 14.201 1.00 75.43 C ATOM 1438 C TYR A 88 5.679 -5.021 15.670 1.00 54.41 C ATOM 1439 O TYR A 88 6.842 -4.833 16.053 1.00 10.34 O ATOM 1440 CB TYR A 88 6.032 -6.780 13.855 1.00 23.54 C ATOM 1441 CG TYR A 88 5.591 -7.941 14.768 1.00 42.55 C ATOM 1442 CD1 TYR A 88 4.336 -8.537 14.621 1.00 45.43 C ATOM 1443 CD2 TYR A 88 6.426 -8.434 15.780 1.00 32.12 C ATOM 1444 CE1 TYR A 88 3.934 -9.571 15.444 1.00 35.34 C ATOM 1445 CE2 TYR A 88 6.023 -9.469 16.602 1.00 32.22 C ATOM 1446 CZ TYR A 88 4.781 -10.034 16.432 1.00 22.30 C ATOM 1447 OH TYR A 88 4.380 -11.069 17.255 1.00 42.43 O ATOM 0 H TYR A 88 6.938 -4.410 13.191 1.00 24.31 H new ATOM 0 HA TYR A 88 4.311 -5.478 14.082 1.00 75.43 H new ATOM 0 HB2 TYR A 88 5.785 -7.032 12.824 1.00 23.54 H new ATOM 0 HB3 TYR A 88 7.116 -6.684 13.909 1.00 23.54 H new ATOM 0 HD1 TYR A 88 3.668 -8.183 13.850 1.00 45.43 H new ATOM 0 HD2 TYR A 88 7.403 -7.996 15.920 1.00 32.12 H new ATOM 0 HE1 TYR A 88 2.959 -10.017 15.315 1.00 35.34 H new ATOM 0 HE2 TYR A 88 6.682 -9.833 17.376 1.00 32.22 H new ATOM 0 HH TYR A 88 5.094 -11.274 17.895 1.00 42.43 H new ATOM 1457 N ASN A 89 4.610 -4.880 16.476 1.00 44.43 N ATOM 1458 CA ASN A 89 4.722 -4.700 17.934 1.00 64.35 C ATOM 1459 C ASN A 89 5.056 -6.057 18.603 1.00 73.43 C ATOM 1460 O ASN A 89 4.252 -6.993 18.564 1.00 44.20 O ATOM 1461 CB ASN A 89 3.427 -4.084 18.514 1.00 31.32 C ATOM 1462 CG ASN A 89 3.232 -2.615 18.115 1.00 1.21 C ATOM 1463 OD1 ASN A 89 3.738 -1.712 18.772 1.00 21.14 O ATOM 1464 ND2 ASN A 89 2.500 -2.360 17.048 1.00 5.11 N ATOM 0 H ASN A 89 3.648 -4.888 16.136 1.00 44.43 H new ATOM 0 HA ASN A 89 5.533 -4.003 18.146 1.00 64.35 H new ATOM 0 HB2 ASN A 89 2.570 -4.665 18.172 1.00 31.32 H new ATOM 0 HB3 ASN A 89 3.450 -4.160 19.601 1.00 31.32 H new ATOM 0 HD21 ASN A 89 2.345 -1.396 16.754 1.00 5.11 H new ATOM 0 HD22 ASN A 89 2.089 -3.127 16.516 1.00 5.11 H new ATOM 1471 N GLU A 90 6.245 -6.128 19.223 1.00 34.24 N ATOM 1472 CA GLU A 90 6.874 -7.391 19.669 1.00 74.01 C ATOM 1473 C GLU A 90 6.111 -8.103 20.828 1.00 45.40 C ATOM 1474 O GLU A 90 6.146 -9.336 20.932 1.00 3.25 O ATOM 1475 CB GLU A 90 8.341 -7.095 20.089 1.00 64.34 C ATOM 1476 CG GLU A 90 9.185 -8.332 20.462 1.00 70.43 C ATOM 1477 CD GLU A 90 10.621 -7.973 20.880 1.00 2.04 C ATOM 1478 OE1 GLU A 90 10.823 -7.551 22.043 1.00 35.22 O ATOM 1479 OE2 GLU A 90 11.548 -8.071 20.039 1.00 61.13 O ATOM 0 H GLU A 90 6.807 -5.303 19.433 1.00 34.24 H new ATOM 0 HA GLU A 90 6.839 -8.084 18.829 1.00 74.01 H new ATOM 0 HB2 GLU A 90 8.836 -6.571 19.272 1.00 64.34 H new ATOM 0 HB3 GLU A 90 8.327 -6.415 20.941 1.00 64.34 H new ATOM 0 HG2 GLU A 90 8.697 -8.866 21.278 1.00 70.43 H new ATOM 0 HG3 GLU A 90 9.219 -9.012 19.611 1.00 70.43 H new ATOM 1486 N LEU A 91 5.430 -7.330 21.697 1.00 11.30 N ATOM 1487 CA LEU A 91 4.770 -7.878 22.914 1.00 74.40 C ATOM 1488 C LEU A 91 3.245 -8.107 22.737 1.00 5.22 C ATOM 1489 O LEU A 91 2.681 -9.005 23.372 1.00 22.42 O ATOM 1490 CB LEU A 91 5.034 -6.947 24.127 1.00 60.15 C ATOM 1491 CG LEU A 91 6.534 -6.721 24.511 1.00 71.53 C ATOM 1492 CD1 LEU A 91 6.656 -5.875 25.798 1.00 54.13 C ATOM 1493 CD2 LEU A 91 7.290 -8.064 24.645 1.00 31.41 C ATOM 0 H LEU A 91 5.319 -6.322 21.584 1.00 11.30 H new ATOM 0 HA LEU A 91 5.211 -8.859 23.093 1.00 74.40 H new ATOM 0 HB2 LEU A 91 4.584 -5.976 23.918 1.00 60.15 H new ATOM 0 HB3 LEU A 91 4.517 -7.359 24.994 1.00 60.15 H new ATOM 0 HG LEU A 91 7.004 -6.163 23.701 1.00 71.53 H new ATOM 0 HD11 LEU A 91 7.709 -5.733 26.042 1.00 54.13 H new ATOM 0 HD12 LEU A 91 6.186 -4.904 25.641 1.00 54.13 H new ATOM 0 HD13 LEU A 91 6.159 -6.390 26.620 1.00 54.13 H new ATOM 0 HD21 LEU A 91 8.329 -7.872 24.912 1.00 31.41 H new ATOM 0 HD22 LEU A 91 6.822 -8.669 25.421 1.00 31.41 H new ATOM 0 HD23 LEU A 91 7.253 -8.599 23.696 1.00 31.41 H new ATOM 1505 N THR A 92 2.574 -7.293 21.890 1.00 21.23 N ATOM 1506 CA THR A 92 1.087 -7.373 21.719 1.00 43.23 C ATOM 1507 C THR A 92 0.675 -8.030 20.375 1.00 61.45 C ATOM 1508 O THR A 92 -0.423 -8.594 20.259 1.00 11.14 O ATOM 1509 CB THR A 92 0.398 -5.971 21.878 1.00 41.31 C ATOM 1510 OG1 THR A 92 -1.031 -6.111 21.834 1.00 43.24 O ATOM 1511 CG2 THR A 92 0.843 -4.954 20.812 1.00 12.45 C ATOM 0 H THR A 92 3.023 -6.579 21.317 1.00 21.23 H new ATOM 0 HA THR A 92 0.732 -8.018 22.522 1.00 43.23 H new ATOM 0 HB THR A 92 0.712 -5.584 22.847 1.00 41.31 H new ATOM 0 HG1 THR A 92 -1.343 -5.991 20.913 1.00 43.24 H new ATOM 0 HG21 THR A 92 0.331 -4.006 20.977 1.00 12.45 H new ATOM 0 HG22 THR A 92 1.920 -4.802 20.882 1.00 12.45 H new ATOM 0 HG23 THR A 92 0.594 -5.333 19.821 1.00 12.45 H new ATOM 1519 N GLY A 93 1.559 -7.949 19.363 1.00 4.11 N ATOM 1520 CA GLY A 93 1.347 -8.624 18.062 1.00 13.14 C ATOM 1521 C GLY A 93 0.813 -7.719 16.949 1.00 53.11 C ATOM 1522 O GLY A 93 0.960 -8.042 15.766 1.00 52.12 O ATOM 0 H GLY A 93 2.430 -7.422 19.419 1.00 4.11 H new ATOM 0 HA2 GLY A 93 2.292 -9.058 17.736 1.00 13.14 H new ATOM 0 HA3 GLY A 93 0.650 -9.449 18.206 1.00 13.14 H new ATOM 1526 N ASP A 94 0.194 -6.594 17.327 1.00 51.42 N ATOM 1527 CA ASP A 94 -0.435 -5.652 16.375 1.00 32.24 C ATOM 1528 C ASP A 94 0.564 -5.061 15.346 1.00 44.35 C ATOM 1529 O ASP A 94 1.741 -4.856 15.648 1.00 12.12 O ATOM 1530 CB ASP A 94 -1.142 -4.510 17.151 1.00 50.33 C ATOM 1531 CG ASP A 94 -2.320 -5.017 18.003 1.00 30.34 C ATOM 1532 OD1 ASP A 94 -2.079 -5.752 18.989 1.00 10.43 O ATOM 1533 OD2 ASP A 94 -3.491 -4.691 17.695 1.00 5.41 O ATOM 0 H ASP A 94 0.112 -6.305 18.302 1.00 51.42 H new ATOM 0 HA ASP A 94 -1.165 -6.224 15.803 1.00 32.24 H new ATOM 0 HB2 ASP A 94 -0.419 -4.012 17.797 1.00 50.33 H new ATOM 0 HB3 ASP A 94 -1.504 -3.764 16.443 1.00 50.33 H new ATOM 1538 N TYR A 95 0.071 -4.820 14.122 1.00 35.21 N ATOM 1539 CA TYR A 95 0.832 -4.152 13.045 1.00 32.43 C ATOM 1540 C TYR A 95 0.448 -2.661 12.940 1.00 62.15 C ATOM 1541 O TYR A 95 -0.740 -2.322 12.864 1.00 54.44 O ATOM 1542 CB TYR A 95 0.579 -4.857 11.672 1.00 21.53 C ATOM 1543 CG TYR A 95 1.532 -6.023 11.367 1.00 64.12 C ATOM 1544 CD1 TYR A 95 1.342 -7.289 11.927 1.00 24.03 C ATOM 1545 CD2 TYR A 95 2.632 -5.843 10.514 1.00 71.31 C ATOM 1546 CE1 TYR A 95 2.206 -8.331 11.640 1.00 71.54 C ATOM 1547 CE2 TYR A 95 3.495 -6.879 10.226 1.00 75.42 C ATOM 1548 CZ TYR A 95 3.282 -8.121 10.794 1.00 15.33 C ATOM 1549 OH TYR A 95 4.138 -9.165 10.505 1.00 60.33 O ATOM 0 H TYR A 95 -0.875 -5.084 13.845 1.00 35.21 H new ATOM 0 HA TYR A 95 1.891 -4.225 13.294 1.00 32.43 H new ATOM 0 HB2 TYR A 95 -0.446 -5.228 11.652 1.00 21.53 H new ATOM 0 HB3 TYR A 95 0.666 -4.117 10.877 1.00 21.53 H new ATOM 0 HD1 TYR A 95 0.509 -7.457 12.593 1.00 24.03 H new ATOM 0 HD2 TYR A 95 2.806 -4.872 10.074 1.00 71.31 H new ATOM 0 HE1 TYR A 95 2.042 -9.306 12.075 1.00 71.54 H new ATOM 0 HE2 TYR A 95 4.331 -6.721 9.561 1.00 75.42 H new ATOM 0 HH TYR A 95 3.646 -10.012 10.542 1.00 60.33 H new ATOM 1559 N VAL A 96 1.467 -1.775 12.921 1.00 75.33 N ATOM 1560 CA VAL A 96 1.291 -0.387 12.473 1.00 33.01 C ATOM 1561 C VAL A 96 1.428 -0.371 10.943 1.00 75.53 C ATOM 1562 O VAL A 96 2.542 -0.404 10.403 1.00 11.03 O ATOM 1563 CB VAL A 96 2.329 0.613 13.108 1.00 41.25 C ATOM 1564 CG1 VAL A 96 2.042 2.077 12.637 1.00 55.31 C ATOM 1565 CG2 VAL A 96 2.337 0.498 14.656 1.00 62.30 C ATOM 0 H VAL A 96 2.418 -2.002 13.212 1.00 75.33 H new ATOM 0 HA VAL A 96 0.308 -0.048 12.799 1.00 33.01 H new ATOM 0 HB VAL A 96 3.326 0.343 12.759 1.00 41.25 H new ATOM 0 HG11 VAL A 96 2.770 2.753 13.086 1.00 55.31 H new ATOM 0 HG12 VAL A 96 2.118 2.131 11.551 1.00 55.31 H new ATOM 0 HG13 VAL A 96 1.038 2.368 12.945 1.00 55.31 H new ATOM 0 HG21 VAL A 96 3.062 1.199 15.069 1.00 62.30 H new ATOM 0 HG22 VAL A 96 1.345 0.731 15.043 1.00 62.30 H new ATOM 0 HG23 VAL A 96 2.609 -0.517 14.944 1.00 62.30 H new ATOM 1575 N LEU A 97 0.288 -0.390 10.263 1.00 73.33 N ATOM 1576 CA LEU A 97 0.225 -0.357 8.803 1.00 25.43 C ATOM 1577 C LEU A 97 -0.027 1.088 8.357 1.00 31.15 C ATOM 1578 O LEU A 97 -1.069 1.651 8.654 1.00 52.31 O ATOM 1579 CB LEU A 97 -0.887 -1.316 8.324 1.00 63.34 C ATOM 1580 CG LEU A 97 -0.976 -1.558 6.789 1.00 32.33 C ATOM 1581 CD1 LEU A 97 0.368 -2.050 6.209 1.00 23.53 C ATOM 1582 CD2 LEU A 97 -2.131 -2.533 6.463 1.00 51.54 C ATOM 0 H LEU A 97 -0.627 -0.429 10.711 1.00 73.33 H new ATOM 0 HA LEU A 97 1.163 -0.691 8.359 1.00 25.43 H new ATOM 0 HB2 LEU A 97 -0.743 -2.279 8.814 1.00 63.34 H new ATOM 0 HB3 LEU A 97 -1.846 -0.925 8.665 1.00 63.34 H new ATOM 0 HG LEU A 97 -1.193 -0.604 6.308 1.00 32.33 H new ATOM 0 HD11 LEU A 97 0.265 -2.207 5.135 1.00 23.53 H new ATOM 0 HD12 LEU A 97 1.139 -1.302 6.394 1.00 23.53 H new ATOM 0 HD13 LEU A 97 0.649 -2.988 6.688 1.00 23.53 H new ATOM 0 HD21 LEU A 97 -2.180 -2.692 5.386 1.00 51.54 H new ATOM 0 HD22 LEU A 97 -1.955 -3.486 6.963 1.00 51.54 H new ATOM 0 HD23 LEU A 97 -3.073 -2.110 6.811 1.00 51.54 H new ATOM 1594 N GLU A 98 0.938 1.678 7.651 1.00 64.12 N ATOM 1595 CA GLU A 98 0.937 3.115 7.336 1.00 20.43 C ATOM 1596 C GLU A 98 1.225 3.316 5.835 1.00 2.13 C ATOM 1597 O GLU A 98 2.356 3.135 5.373 1.00 25.34 O ATOM 1598 CB GLU A 98 2.002 3.844 8.207 1.00 40.20 C ATOM 1599 CG GLU A 98 1.931 5.382 8.150 1.00 65.12 C ATOM 1600 CD GLU A 98 3.109 6.073 8.867 1.00 72.41 C ATOM 1601 OE1 GLU A 98 4.187 6.231 8.249 1.00 32.03 O ATOM 1602 OE2 GLU A 98 2.972 6.446 10.054 1.00 24.15 O ATOM 0 H GLU A 98 1.745 1.177 7.279 1.00 64.12 H new ATOM 0 HA GLU A 98 -0.041 3.540 7.561 1.00 20.43 H new ATOM 0 HB2 GLU A 98 1.885 3.526 9.243 1.00 40.20 H new ATOM 0 HB3 GLU A 98 2.994 3.527 7.886 1.00 40.20 H new ATOM 0 HG2 GLU A 98 1.912 5.700 7.108 1.00 65.12 H new ATOM 0 HG3 GLU A 98 0.995 5.713 8.601 1.00 65.12 H new ATOM 1609 N ILE A 99 0.182 3.673 5.078 1.00 44.24 N ATOM 1610 CA ILE A 99 0.278 3.946 3.635 1.00 71.33 C ATOM 1611 C ILE A 99 0.420 5.472 3.405 1.00 32.12 C ATOM 1612 O ILE A 99 -0.467 6.249 3.763 1.00 30.32 O ATOM 1613 CB ILE A 99 -0.974 3.335 2.851 1.00 61.21 C ATOM 1614 CG1 ILE A 99 -0.803 1.789 2.587 1.00 72.13 C ATOM 1615 CG2 ILE A 99 -1.251 4.073 1.513 1.00 43.15 C ATOM 1616 CD1 ILE A 99 -0.658 0.906 3.813 1.00 14.21 C ATOM 0 H ILE A 99 -0.761 3.782 5.450 1.00 44.24 H new ATOM 0 HA ILE A 99 1.166 3.457 3.234 1.00 71.33 H new ATOM 0 HB ILE A 99 -1.836 3.483 3.502 1.00 61.21 H new ATOM 0 HG12 ILE A 99 -1.665 1.443 2.017 1.00 72.13 H new ATOM 0 HG13 ILE A 99 0.075 1.645 1.957 1.00 72.13 H new ATOM 0 HG21 ILE A 99 -2.111 3.620 1.019 1.00 43.15 H new ATOM 0 HG22 ILE A 99 -1.460 5.124 1.714 1.00 43.15 H new ATOM 0 HG23 ILE A 99 -0.377 3.994 0.866 1.00 43.15 H new ATOM 0 HD11 ILE A 99 -0.548 -0.133 3.502 1.00 14.21 H new ATOM 0 HD12 ILE A 99 0.222 1.211 4.379 1.00 14.21 H new ATOM 0 HD13 ILE A 99 -1.544 1.005 4.440 1.00 14.21 H new ATOM 1628 N THR A 100 1.558 5.890 2.834 1.00 34.22 N ATOM 1629 CA THR A 100 1.781 7.279 2.411 1.00 34.20 C ATOM 1630 C THR A 100 1.327 7.437 0.944 1.00 63.44 C ATOM 1631 O THR A 100 2.016 7.011 0.010 1.00 2.43 O ATOM 1632 CB THR A 100 3.284 7.682 2.577 1.00 64.11 C ATOM 1633 OG1 THR A 100 3.653 7.619 3.969 1.00 32.00 O ATOM 1634 CG2 THR A 100 3.592 9.089 2.026 1.00 12.24 C ATOM 0 H THR A 100 2.350 5.274 2.652 1.00 34.22 H new ATOM 0 HA THR A 100 1.195 7.946 3.044 1.00 34.20 H new ATOM 0 HB THR A 100 3.870 6.972 1.994 1.00 64.11 H new ATOM 0 HG1 THR A 100 4.595 7.870 4.069 1.00 32.00 H new ATOM 0 HG21 THR A 100 4.649 9.312 2.169 1.00 12.24 H new ATOM 0 HG22 THR A 100 3.355 9.123 0.963 1.00 12.24 H new ATOM 0 HG23 THR A 100 2.990 9.827 2.556 1.00 12.24 H new ATOM 1642 N ASP A 101 0.127 8.004 0.775 1.00 11.42 N ATOM 1643 CA ASP A 101 -0.516 8.215 -0.537 1.00 15.31 C ATOM 1644 C ASP A 101 -0.614 9.737 -0.829 1.00 62.12 C ATOM 1645 O ASP A 101 -0.399 10.559 0.061 1.00 21.02 O ATOM 1646 CB ASP A 101 -1.913 7.527 -0.519 1.00 50.01 C ATOM 1647 CG ASP A 101 -2.684 7.637 -1.847 1.00 52.12 C ATOM 1648 OD1 ASP A 101 -2.274 6.988 -2.835 1.00 24.22 O ATOM 1649 OD2 ASP A 101 -3.690 8.378 -1.914 1.00 4.31 O ATOM 0 H ASP A 101 -0.438 8.336 1.556 1.00 11.42 H new ATOM 0 HA ASP A 101 0.074 7.770 -1.338 1.00 15.31 H new ATOM 0 HB2 ASP A 101 -1.784 6.473 -0.272 1.00 50.01 H new ATOM 0 HB3 ASP A 101 -2.514 7.969 0.276 1.00 50.01 H new ATOM 1654 N PHE A 102 -0.904 10.101 -2.085 1.00 52.12 N ATOM 1655 CA PHE A 102 -1.081 11.510 -2.508 1.00 70.45 C ATOM 1656 C PHE A 102 -2.521 11.731 -3.033 1.00 63.41 C ATOM 1657 O PHE A 102 -2.950 11.095 -3.999 1.00 14.24 O ATOM 1658 CB PHE A 102 -0.002 11.888 -3.580 1.00 12.43 C ATOM 1659 CG PHE A 102 0.040 10.985 -4.832 1.00 63.43 C ATOM 1660 CD1 PHE A 102 0.569 9.691 -4.771 1.00 24.32 C ATOM 1661 CD2 PHE A 102 -0.455 11.428 -6.064 1.00 63.21 C ATOM 1662 CE1 PHE A 102 0.594 8.875 -5.892 1.00 21.23 C ATOM 1663 CE2 PHE A 102 -0.425 10.613 -7.184 1.00 34.33 C ATOM 1664 CZ PHE A 102 0.097 9.337 -7.097 1.00 1.52 C ATOM 0 H PHE A 102 -1.024 9.430 -2.844 1.00 52.12 H new ATOM 0 HA PHE A 102 -0.939 12.169 -1.651 1.00 70.45 H new ATOM 0 HB2 PHE A 102 -0.178 12.915 -3.900 1.00 12.43 H new ATOM 0 HB3 PHE A 102 0.979 11.866 -3.105 1.00 12.43 H new ATOM 0 HD1 PHE A 102 0.964 9.322 -3.836 1.00 24.32 H new ATOM 0 HD2 PHE A 102 -0.868 12.423 -6.143 1.00 63.21 H new ATOM 0 HE1 PHE A 102 1.002 7.877 -5.824 1.00 21.23 H new ATOM 0 HE2 PHE A 102 -0.810 10.976 -8.126 1.00 34.33 H new ATOM 0 HZ PHE A 102 0.117 8.701 -7.969 1.00 1.52 H new ATOM 1674 N SER A 103 -3.258 12.649 -2.383 1.00 65.42 N ATOM 1675 CA SER A 103 -4.659 12.979 -2.713 1.00 3.12 C ATOM 1676 C SER A 103 -4.981 14.400 -2.208 1.00 1.22 C ATOM 1677 O SER A 103 -4.845 14.687 -1.014 1.00 42.34 O ATOM 1678 CB SER A 103 -5.658 11.961 -2.089 1.00 50.33 C ATOM 1679 OG SER A 103 -5.531 10.671 -2.670 1.00 45.33 O ATOM 0 H SER A 103 -2.892 13.192 -1.601 1.00 65.42 H new ATOM 0 HA SER A 103 -4.771 12.929 -3.796 1.00 3.12 H new ATOM 0 HB2 SER A 103 -5.485 11.894 -1.015 1.00 50.33 H new ATOM 0 HB3 SER A 103 -6.677 12.322 -2.226 1.00 50.33 H new ATOM 0 HG SER A 103 -4.853 10.158 -2.183 1.00 45.33 H new ATOM 1685 N GLU A 104 -5.402 15.272 -3.134 1.00 23.45 N ATOM 1686 CA GLU A 104 -5.783 16.683 -2.848 1.00 20.12 C ATOM 1687 C GLU A 104 -7.046 16.767 -1.958 1.00 63.24 C ATOM 1688 O GLU A 104 -7.878 15.867 -1.998 1.00 62.34 O ATOM 1689 CB GLU A 104 -5.999 17.411 -4.199 1.00 72.12 C ATOM 1690 CG GLU A 104 -6.995 16.696 -5.144 1.00 5.12 C ATOM 1691 CD GLU A 104 -6.913 17.192 -6.591 1.00 45.34 C ATOM 1692 OE1 GLU A 104 -5.866 16.945 -7.242 1.00 61.04 O ATOM 1693 OE2 GLU A 104 -7.865 17.838 -7.078 1.00 34.14 O ATOM 0 H GLU A 104 -5.493 15.025 -4.119 1.00 23.45 H new ATOM 0 HA GLU A 104 -4.982 17.167 -2.289 1.00 20.12 H new ATOM 0 HB2 GLU A 104 -6.360 18.421 -4.003 1.00 72.12 H new ATOM 0 HB3 GLU A 104 -5.039 17.509 -4.706 1.00 72.12 H new ATOM 0 HG2 GLU A 104 -6.801 15.624 -5.122 1.00 5.12 H new ATOM 0 HG3 GLU A 104 -8.009 16.844 -4.773 1.00 5.12 H new ATOM 1700 N ALA A 105 -7.171 17.871 -1.189 1.00 44.13 N ATOM 1701 CA ALA A 105 -8.211 18.060 -0.127 1.00 0.44 C ATOM 1702 C ALA A 105 -9.662 17.700 -0.566 1.00 12.10 C ATOM 1703 O ALA A 105 -10.398 17.058 0.191 1.00 51.13 O ATOM 1704 CB ALA A 105 -8.155 19.506 0.391 1.00 61.32 C ATOM 0 H ALA A 105 -6.548 18.673 -1.282 1.00 44.13 H new ATOM 0 HA ALA A 105 -7.968 17.352 0.665 1.00 0.44 H new ATOM 0 HB1 ALA A 105 -8.911 19.645 1.164 1.00 61.32 H new ATOM 0 HB2 ALA A 105 -7.168 19.705 0.809 1.00 61.32 H new ATOM 0 HB3 ALA A 105 -8.346 20.195 -0.432 1.00 61.32 H new ATOM 1710 N ASP A 106 -10.043 18.112 -1.790 1.00 42.31 N ATOM 1711 CA ASP A 106 -11.385 17.837 -2.380 1.00 42.21 C ATOM 1712 C ASP A 106 -11.703 16.324 -2.472 1.00 42.50 C ATOM 1713 O ASP A 106 -12.855 15.914 -2.313 1.00 70.44 O ATOM 1714 CB ASP A 106 -11.473 18.463 -3.795 1.00 45.45 C ATOM 1715 CG ASP A 106 -11.422 19.995 -3.786 1.00 30.33 C ATOM 1716 OD1 ASP A 106 -10.396 20.560 -3.347 1.00 1.54 O ATOM 1717 OD2 ASP A 106 -12.386 20.645 -4.246 1.00 0.33 O ATOM 0 H ASP A 106 -9.433 18.648 -2.407 1.00 42.31 H new ATOM 0 HA ASP A 106 -12.122 18.286 -1.714 1.00 42.21 H new ATOM 0 HB2 ASP A 106 -10.653 18.083 -4.404 1.00 45.45 H new ATOM 0 HB3 ASP A 106 -12.399 18.140 -4.270 1.00 45.45 H new ATOM 1722 N GLU A 107 -10.668 15.511 -2.745 1.00 4.11 N ATOM 1723 CA GLU A 107 -10.802 14.048 -2.964 1.00 71.34 C ATOM 1724 C GLU A 107 -10.222 13.236 -1.781 1.00 74.21 C ATOM 1725 O GLU A 107 -10.447 12.026 -1.686 1.00 2.53 O ATOM 1726 CB GLU A 107 -10.087 13.652 -4.290 1.00 41.03 C ATOM 1727 CG GLU A 107 -10.553 14.443 -5.536 1.00 32.40 C ATOM 1728 CD GLU A 107 -12.081 14.410 -5.751 1.00 65.32 C ATOM 1729 OE1 GLU A 107 -12.632 13.320 -6.017 1.00 44.50 O ATOM 1730 OE2 GLU A 107 -12.741 15.471 -5.658 1.00 35.24 O ATOM 0 H GLU A 107 -9.707 15.845 -2.822 1.00 4.11 H new ATOM 0 HA GLU A 107 -11.864 13.811 -3.034 1.00 71.34 H new ATOM 0 HB2 GLU A 107 -9.014 13.796 -4.165 1.00 41.03 H new ATOM 0 HB3 GLU A 107 -10.247 12.589 -4.470 1.00 41.03 H new ATOM 0 HG2 GLU A 107 -10.230 15.480 -5.440 1.00 32.40 H new ATOM 0 HG3 GLU A 107 -10.061 14.036 -6.420 1.00 32.40 H new ATOM 1737 N ALA A 108 -9.486 13.925 -0.881 1.00 20.05 N ATOM 1738 CA ALA A 108 -8.790 13.297 0.262 1.00 45.04 C ATOM 1739 C ALA A 108 -9.781 12.698 1.271 1.00 11.25 C ATOM 1740 O ALA A 108 -9.550 11.610 1.769 1.00 12.23 O ATOM 1741 CB ALA A 108 -7.859 14.309 0.952 1.00 23.04 C ATOM 0 H ALA A 108 -9.358 14.936 -0.928 1.00 20.05 H new ATOM 0 HA ALA A 108 -8.186 12.479 -0.131 1.00 45.04 H new ATOM 0 HB1 ALA A 108 -7.356 13.828 1.791 1.00 23.04 H new ATOM 0 HB2 ALA A 108 -7.116 14.665 0.239 1.00 23.04 H new ATOM 0 HB3 ALA A 108 -8.445 15.153 1.316 1.00 23.04 H new ATOM 1747 N ASP A 109 -10.897 13.410 1.534 1.00 22.40 N ATOM 1748 CA ASP A 109 -11.964 12.935 2.454 1.00 23.12 C ATOM 1749 C ASP A 109 -12.619 11.618 1.961 1.00 63.14 C ATOM 1750 O ASP A 109 -13.017 10.779 2.772 1.00 20.44 O ATOM 1751 CB ASP A 109 -13.043 14.021 2.637 1.00 32.32 C ATOM 1752 CG ASP A 109 -12.467 15.314 3.222 1.00 65.32 C ATOM 1753 OD1 ASP A 109 -12.173 15.342 4.436 1.00 41.40 O ATOM 1754 OD2 ASP A 109 -12.286 16.295 2.474 1.00 74.33 O ATOM 0 H ASP A 109 -11.088 14.323 1.121 1.00 22.40 H new ATOM 0 HA ASP A 109 -11.490 12.730 3.414 1.00 23.12 H new ATOM 0 HB2 ASP A 109 -13.508 14.235 1.675 1.00 32.32 H new ATOM 0 HB3 ASP A 109 -13.828 13.645 3.294 1.00 32.32 H new ATOM 1759 N ASP A 110 -12.712 11.454 0.631 1.00 61.12 N ATOM 1760 CA ASP A 110 -13.228 10.220 -0.001 1.00 13.41 C ATOM 1761 C ASP A 110 -12.257 9.032 0.242 1.00 40.44 C ATOM 1762 O ASP A 110 -12.691 7.922 0.572 1.00 42.20 O ATOM 1763 CB ASP A 110 -13.460 10.471 -1.511 1.00 43.32 C ATOM 1764 CG ASP A 110 -14.065 9.266 -2.243 1.00 41.03 C ATOM 1765 OD1 ASP A 110 -15.236 8.917 -1.962 1.00 52.44 O ATOM 1766 OD2 ASP A 110 -13.374 8.645 -3.076 1.00 45.01 O ATOM 0 H ASP A 110 -12.433 12.170 -0.039 1.00 61.12 H new ATOM 0 HA ASP A 110 -14.182 9.952 0.453 1.00 13.41 H new ATOM 0 HB2 ASP A 110 -14.121 11.329 -1.632 1.00 43.32 H new ATOM 0 HB3 ASP A 110 -12.510 10.732 -1.979 1.00 43.32 H new ATOM 1771 N LEU A 111 -10.943 9.293 0.103 1.00 23.14 N ATOM 1772 CA LEU A 111 -9.881 8.319 0.463 1.00 1.25 C ATOM 1773 C LEU A 111 -9.911 7.981 1.979 1.00 30.10 C ATOM 1774 O LEU A 111 -9.845 6.810 2.355 1.00 75.25 O ATOM 1775 CB LEU A 111 -8.469 8.860 0.042 1.00 71.13 C ATOM 1776 CG LEU A 111 -7.989 8.525 -1.412 1.00 60.53 C ATOM 1777 CD1 LEU A 111 -7.848 7.002 -1.618 1.00 43.32 C ATOM 1778 CD2 LEU A 111 -8.909 9.159 -2.477 1.00 3.24 C ATOM 0 H LEU A 111 -10.584 10.177 -0.259 1.00 23.14 H new ATOM 0 HA LEU A 111 -10.076 7.397 -0.085 1.00 1.25 H new ATOM 0 HB2 LEU A 111 -8.472 9.944 0.158 1.00 71.13 H new ATOM 0 HB3 LEU A 111 -7.732 8.467 0.742 1.00 71.13 H new ATOM 0 HG LEU A 111 -7.001 8.967 -1.539 1.00 60.53 H new ATOM 0 HD11 LEU A 111 -7.514 6.802 -2.636 1.00 43.32 H new ATOM 0 HD12 LEU A 111 -7.118 6.605 -0.912 1.00 43.32 H new ATOM 0 HD13 LEU A 111 -8.812 6.522 -1.452 1.00 43.32 H new ATOM 0 HD21 LEU A 111 -8.543 8.904 -3.472 1.00 3.24 H new ATOM 0 HD22 LEU A 111 -9.923 8.779 -2.355 1.00 3.24 H new ATOM 0 HD23 LEU A 111 -8.911 10.242 -2.358 1.00 3.24 H new ATOM 1790 N LYS A 112 -10.060 9.020 2.829 1.00 12.43 N ATOM 1791 CA LYS A 112 -10.089 8.867 4.304 1.00 3.12 C ATOM 1792 C LYS A 112 -11.246 7.945 4.731 1.00 44.05 C ATOM 1793 O LYS A 112 -11.029 6.995 5.452 1.00 43.23 O ATOM 1794 CB LYS A 112 -10.216 10.241 5.029 1.00 53.04 C ATOM 1795 CG LYS A 112 -9.032 11.213 4.818 1.00 11.02 C ATOM 1796 CD LYS A 112 -7.676 10.643 5.296 1.00 53.35 C ATOM 1797 CE LYS A 112 -6.506 11.599 5.013 1.00 33.45 C ATOM 1798 NZ LYS A 112 -6.649 12.900 5.719 1.00 73.43 N ATOM 0 H LYS A 112 -10.163 9.985 2.516 1.00 12.43 H new ATOM 0 HA LYS A 112 -9.141 8.417 4.598 1.00 3.12 H new ATOM 0 HB2 LYS A 112 -11.130 10.729 4.690 1.00 53.04 H new ATOM 0 HB3 LYS A 112 -10.330 10.060 6.098 1.00 53.04 H new ATOM 0 HG2 LYS A 112 -8.960 11.462 3.759 1.00 11.02 H new ATOM 0 HG3 LYS A 112 -9.235 12.142 5.351 1.00 11.02 H new ATOM 0 HD2 LYS A 112 -7.727 10.442 6.366 1.00 53.35 H new ATOM 0 HD3 LYS A 112 -7.491 9.690 4.801 1.00 53.35 H new ATOM 0 HE2 LYS A 112 -5.573 11.125 5.317 1.00 33.45 H new ATOM 0 HE3 LYS A 112 -6.438 11.777 3.940 1.00 33.45 H new ATOM 0 HZ1 LYS A 112 -5.789 13.468 5.578 1.00 73.43 H new ATOM 0 HZ2 LYS A 112 -7.469 13.413 5.338 1.00 73.43 H new ATOM 0 HZ3 LYS A 112 -6.788 12.730 6.735 1.00 73.43 H new ATOM 1812 N GLU A 113 -12.458 8.222 4.221 1.00 20.21 N ATOM 1813 CA GLU A 113 -13.675 7.437 4.538 1.00 74.33 C ATOM 1814 C GLU A 113 -13.558 5.966 4.063 1.00 10.30 C ATOM 1815 O GLU A 113 -13.972 5.051 4.778 1.00 43.34 O ATOM 1816 CB GLU A 113 -14.936 8.106 3.917 1.00 53.03 C ATOM 1817 CG GLU A 113 -16.277 7.386 4.217 1.00 41.40 C ATOM 1818 CD GLU A 113 -16.662 7.365 5.716 1.00 31.24 C ATOM 1819 OE1 GLU A 113 -16.255 6.428 6.445 1.00 51.13 O ATOM 1820 OE2 GLU A 113 -17.380 8.278 6.168 1.00 55.15 O ATOM 0 H GLU A 113 -12.627 8.995 3.577 1.00 20.21 H new ATOM 0 HA GLU A 113 -13.777 7.425 5.623 1.00 74.33 H new ATOM 0 HB2 GLU A 113 -15.002 9.131 4.282 1.00 53.03 H new ATOM 0 HB3 GLU A 113 -14.804 8.161 2.836 1.00 53.03 H new ATOM 0 HG2 GLU A 113 -17.073 7.875 3.655 1.00 41.40 H new ATOM 0 HG3 GLU A 113 -16.215 6.360 3.855 1.00 41.40 H new ATOM 1827 N LEU A 114 -12.978 5.756 2.860 1.00 34.24 N ATOM 1828 CA LEU A 114 -12.779 4.398 2.275 1.00 33.34 C ATOM 1829 C LEU A 114 -11.988 3.471 3.233 1.00 24.24 C ATOM 1830 O LEU A 114 -12.434 2.367 3.572 1.00 21.02 O ATOM 1831 CB LEU A 114 -12.032 4.508 0.912 1.00 25.23 C ATOM 1832 CG LEU A 114 -11.727 3.159 0.173 1.00 35.15 C ATOM 1833 CD1 LEU A 114 -13.025 2.415 -0.223 1.00 15.34 C ATOM 1834 CD2 LEU A 114 -10.800 3.381 -1.048 1.00 10.12 C ATOM 0 H LEU A 114 -12.635 6.512 2.267 1.00 34.24 H new ATOM 0 HA LEU A 114 -13.764 3.958 2.119 1.00 33.34 H new ATOM 0 HB2 LEU A 114 -12.625 5.135 0.247 1.00 25.23 H new ATOM 0 HB3 LEU A 114 -11.088 5.026 1.081 1.00 25.23 H new ATOM 0 HG LEU A 114 -11.194 2.518 0.875 1.00 35.15 H new ATOM 0 HD11 LEU A 114 -12.771 1.486 -0.733 1.00 15.34 H new ATOM 0 HD12 LEU A 114 -13.604 2.191 0.673 1.00 15.34 H new ATOM 0 HD13 LEU A 114 -13.616 3.044 -0.889 1.00 15.34 H new ATOM 0 HD21 LEU A 114 -10.608 2.426 -1.538 1.00 10.12 H new ATOM 0 HD22 LEU A 114 -11.282 4.060 -1.752 1.00 10.12 H new ATOM 0 HD23 LEU A 114 -9.857 3.814 -0.715 1.00 10.12 H new ATOM 1846 N TRP A 115 -10.818 3.957 3.665 1.00 74.24 N ATOM 1847 CA TRP A 115 -9.893 3.194 4.522 1.00 44.22 C ATOM 1848 C TRP A 115 -10.350 3.165 6.009 1.00 54.40 C ATOM 1849 O TRP A 115 -10.390 2.101 6.618 1.00 65.34 O ATOM 1850 CB TRP A 115 -8.462 3.760 4.379 1.00 2.53 C ATOM 1851 CG TRP A 115 -7.923 3.720 2.952 1.00 25.31 C ATOM 1852 CD1 TRP A 115 -7.640 4.787 2.145 1.00 30.03 C ATOM 1853 CD2 TRP A 115 -7.615 2.549 2.165 1.00 34.45 C ATOM 1854 NE1 TRP A 115 -7.158 4.362 0.938 1.00 13.04 N ATOM 1855 CE2 TRP A 115 -7.132 2.998 0.924 1.00 43.13 C ATOM 1856 CE3 TRP A 115 -7.681 1.169 2.397 1.00 41.41 C ATOM 1857 CZ2 TRP A 115 -6.732 2.123 -0.082 1.00 64.21 C ATOM 1858 CZ3 TRP A 115 -7.283 0.300 1.396 1.00 53.54 C ATOM 1859 CH2 TRP A 115 -6.809 0.780 0.170 1.00 10.13 C ATOM 0 H TRP A 115 -10.483 4.892 3.432 1.00 74.24 H new ATOM 0 HA TRP A 115 -9.898 2.158 4.185 1.00 44.22 H new ATOM 0 HB2 TRP A 115 -8.452 4.791 4.732 1.00 2.53 H new ATOM 0 HB3 TRP A 115 -7.792 3.195 5.027 1.00 2.53 H new ATOM 0 HD1 TRP A 115 -7.778 5.822 2.422 1.00 30.03 H new ATOM 0 HE1 TRP A 115 -6.865 4.967 0.171 1.00 13.04 H new ATOM 0 HE3 TRP A 115 -8.037 0.789 3.343 1.00 41.41 H new ATOM 0 HZ2 TRP A 115 -6.372 2.492 -1.031 1.00 64.21 H new ATOM 0 HZ3 TRP A 115 -7.339 -0.765 1.564 1.00 53.54 H new ATOM 0 HH2 TRP A 115 -6.499 0.079 -0.590 1.00 10.13 H new ATOM 1870 N ASP A 116 -10.724 4.344 6.555 1.00 63.13 N ATOM 1871 CA ASP A 116 -11.090 4.531 7.995 1.00 11.22 C ATOM 1872 C ASP A 116 -12.315 3.682 8.399 1.00 24.51 C ATOM 1873 O ASP A 116 -12.343 3.108 9.492 1.00 54.42 O ATOM 1874 CB ASP A 116 -11.373 6.028 8.296 1.00 51.02 C ATOM 1875 CG ASP A 116 -11.541 6.345 9.796 1.00 0.44 C ATOM 1876 OD1 ASP A 116 -12.669 6.233 10.330 1.00 51.23 O ATOM 1877 OD2 ASP A 116 -10.539 6.699 10.447 1.00 12.12 O ATOM 0 H ASP A 116 -10.784 5.205 6.012 1.00 63.13 H new ATOM 0 HA ASP A 116 -10.238 4.194 8.585 1.00 11.22 H new ATOM 0 HB2 ASP A 116 -10.556 6.629 7.897 1.00 51.02 H new ATOM 0 HB3 ASP A 116 -12.278 6.330 7.768 1.00 51.02 H new ATOM 1882 N SER A 117 -13.323 3.627 7.511 1.00 42.53 N ATOM 1883 CA SER A 117 -14.548 2.815 7.730 1.00 31.13 C ATOM 1884 C SER A 117 -14.208 1.322 7.930 1.00 4.14 C ATOM 1885 O SER A 117 -14.859 0.618 8.705 1.00 5.03 O ATOM 1886 CB SER A 117 -15.522 2.982 6.547 1.00 21.10 C ATOM 1887 OG SER A 117 -16.752 2.319 6.773 1.00 41.10 O ATOM 0 H SER A 117 -13.319 4.136 6.627 1.00 42.53 H new ATOM 0 HA SER A 117 -15.026 3.177 8.640 1.00 31.13 H new ATOM 0 HB2 SER A 117 -15.708 4.043 6.378 1.00 21.10 H new ATOM 0 HB3 SER A 117 -15.061 2.591 5.640 1.00 21.10 H new ATOM 0 HG SER A 117 -17.341 2.451 6.001 1.00 41.10 H new ATOM 1893 N GLN A 118 -13.172 0.860 7.213 1.00 44.43 N ATOM 1894 CA GLN A 118 -12.644 -0.510 7.343 1.00 70.03 C ATOM 1895 C GLN A 118 -11.758 -0.679 8.592 1.00 61.11 C ATOM 1896 O GLN A 118 -11.770 -1.745 9.192 1.00 21.02 O ATOM 1897 CB GLN A 118 -11.885 -0.904 6.057 1.00 13.11 C ATOM 1898 CG GLN A 118 -12.791 -0.971 4.816 1.00 11.21 C ATOM 1899 CD GLN A 118 -13.906 -2.023 4.944 1.00 13.44 C ATOM 1900 OE1 GLN A 118 -14.999 -1.743 5.427 1.00 52.41 O ATOM 1901 NE2 GLN A 118 -13.634 -3.242 4.517 1.00 43.33 N ATOM 0 H GLN A 118 -12.675 1.426 6.525 1.00 44.43 H new ATOM 0 HA GLN A 118 -13.490 -1.184 7.475 1.00 70.03 H new ATOM 0 HB2 GLN A 118 -11.087 -0.183 5.878 1.00 13.11 H new ATOM 0 HB3 GLN A 118 -11.411 -1.874 6.205 1.00 13.11 H new ATOM 0 HG2 GLN A 118 -13.240 0.008 4.647 1.00 11.21 H new ATOM 0 HG3 GLN A 118 -12.183 -1.198 3.940 1.00 11.21 H new ATOM 0 HE21 GLN A 118 -12.718 -3.451 4.119 1.00 43.33 H new ATOM 0 HE22 GLN A 118 -14.340 -3.975 4.585 1.00 43.33 H new ATOM 1910 N VAL A 119 -11.008 0.380 8.979 1.00 24.40 N ATOM 1911 CA VAL A 119 -10.180 0.381 10.220 1.00 72.41 C ATOM 1912 C VAL A 119 -11.080 0.197 11.474 1.00 13.40 C ATOM 1913 O VAL A 119 -10.704 -0.491 12.431 1.00 54.43 O ATOM 1914 CB VAL A 119 -9.308 1.695 10.342 1.00 20.14 C ATOM 1915 CG1 VAL A 119 -8.467 1.711 11.641 1.00 61.11 C ATOM 1916 CG2 VAL A 119 -8.387 1.869 9.111 1.00 64.50 C ATOM 0 H VAL A 119 -10.956 1.251 8.450 1.00 24.40 H new ATOM 0 HA VAL A 119 -9.491 -0.461 10.158 1.00 72.41 H new ATOM 0 HB VAL A 119 -10.004 2.533 10.382 1.00 20.14 H new ATOM 0 HG11 VAL A 119 -7.883 2.630 11.685 1.00 61.11 H new ATOM 0 HG12 VAL A 119 -9.130 1.660 12.504 1.00 61.11 H new ATOM 0 HG13 VAL A 119 -7.794 0.853 11.650 1.00 61.11 H new ATOM 0 HG21 VAL A 119 -7.799 2.780 9.222 1.00 64.50 H new ATOM 0 HG22 VAL A 119 -7.717 1.013 9.034 1.00 64.50 H new ATOM 0 HG23 VAL A 119 -8.995 1.937 8.209 1.00 64.50 H new