USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 510 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -163:sc= -0.0492 (180deg=-0.653) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -2.38 K(o=-2.4,f=-7!) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0803 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -164:sc= -0.0887 (180deg=-0.421) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -6.36! C(o=-6.4!,f=-4.7!) USER MOD Single : A 36 GLN : amide:sc= -0.142 K(o=-0.14,f=-1.6!) USER MOD Single : A 39 GLN : amide:sc= -0.0414 X(o=-0.041,f=-0.041) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -3.64 K(o=-3.6,f=-10!) USER MOD Single : A 55 GLN : amide:sc= -0.249 X(o=-0.25,f=0) USER MOD Single : A 56 ASN : amide:sc=-0.00338 X(o=-0.0034,f=-0.026) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -42:sc= 1.11 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.202 -14.103 -5.196 1.00 0.00 N ATOM 2 CA MET A 1 -0.438 -14.104 -6.438 1.00 52.33 C ATOM 3 C MET A 1 -0.502 -12.739 -7.116 1.00 40.25 C ATOM 4 O MET A 1 0.435 -12.332 -7.802 1.00 43.21 O ATOM 5 CB MET A 1 -0.966 -15.182 -7.386 1.00 73.31 C ATOM 6 CG MET A 1 -0.837 -16.593 -6.834 1.00 41.32 C ATOM 7 SD MET A 1 -1.541 -17.836 -7.934 1.00 24.21 S ATOM 8 CE MET A 1 -0.910 -19.340 -7.192 1.00 40.24 C ATOM 0 H1 MET A 1 -0.921 -14.918 -4.615 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.014 -13.224 -4.673 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.217 -14.166 -5.413 1.00 0.00 H new ATOM 0 HA MET A 1 0.602 -14.322 -6.195 1.00 52.33 H new ATOM 0 HB2 MET A 1 -2.015 -14.980 -7.604 1.00 73.31 H new ATOM 0 HB3 MET A 1 -0.426 -15.119 -8.331 1.00 73.31 H new ATOM 0 HG2 MET A 1 0.216 -16.818 -6.665 1.00 41.32 H new ATOM 0 HG3 MET A 1 -1.334 -16.647 -5.866 1.00 41.32 H new ATOM 0 HE1 MET A 1 -1.260 -20.201 -7.761 1.00 40.24 H new ATOM 0 HE2 MET A 1 0.180 -19.319 -7.198 1.00 40.24 H new ATOM 0 HE3 MET A 1 -1.266 -19.416 -6.164 1.00 40.24 H new ATOM 18 N ALA A 2 -1.613 -12.037 -6.920 1.00 53.14 N ATOM 19 CA ALA A 2 -1.798 -10.718 -7.512 1.00 2.53 C ATOM 20 C ALA A 2 -2.153 -9.684 -6.448 1.00 71.12 C ATOM 21 O ALA A 2 -1.327 -8.849 -6.081 1.00 61.41 O ATOM 22 CB ALA A 2 -2.876 -10.766 -8.584 1.00 41.03 C ATOM 0 H ALA A 2 -2.399 -12.360 -6.356 1.00 53.14 H new ATOM 0 HA ALA A 2 -0.857 -10.419 -7.973 1.00 2.53 H new ATOM 0 HB1 ALA A 2 -3.003 -9.774 -9.017 1.00 41.03 H new ATOM 0 HB2 ALA A 2 -2.582 -11.468 -9.365 1.00 41.03 H new ATOM 0 HB3 ALA A 2 -3.817 -11.091 -8.140 1.00 41.03 H new ATOM 28 N GLU A 3 -3.387 -9.746 -5.958 1.00 74.02 N ATOM 29 CA GLU A 3 -3.851 -8.813 -4.938 1.00 31.54 C ATOM 30 C GLU A 3 -3.787 -9.448 -3.551 1.00 45.12 C ATOM 31 O GLU A 3 -3.750 -8.750 -2.539 1.00 5.53 O ATOM 32 CB GLU A 3 -5.282 -8.364 -5.239 1.00 13.34 C ATOM 33 CG GLU A 3 -6.302 -9.488 -5.164 1.00 0.23 C ATOM 34 CD GLU A 3 -6.951 -9.776 -6.503 1.00 74.42 C ATOM 35 OE1 GLU A 3 -6.215 -9.919 -7.502 1.00 14.03 O ATOM 36 OE2 GLU A 3 -8.197 -9.860 -6.552 1.00 44.03 O ATOM 0 H GLU A 3 -4.083 -10.432 -6.251 1.00 74.02 H new ATOM 0 HA GLU A 3 -3.194 -7.943 -4.952 1.00 31.54 H new ATOM 0 HB2 GLU A 3 -5.564 -7.582 -4.534 1.00 13.34 H new ATOM 0 HB3 GLU A 3 -5.313 -7.922 -6.235 1.00 13.34 H new ATOM 0 HG2 GLU A 3 -5.815 -10.392 -4.799 1.00 0.23 H new ATOM 0 HG3 GLU A 3 -7.073 -9.226 -4.439 1.00 0.23 H new ATOM 43 N ALA A 4 -3.774 -10.776 -3.515 1.00 30.31 N ATOM 44 CA ALA A 4 -3.713 -11.505 -2.254 1.00 64.53 C ATOM 45 C ALA A 4 -2.537 -11.034 -1.404 1.00 75.33 C ATOM 46 O ALA A 4 -2.558 -11.152 -0.178 1.00 71.03 O ATOM 47 CB ALA A 4 -3.612 -13.001 -2.514 1.00 73.31 C ATOM 0 H ALA A 4 -3.805 -11.369 -4.344 1.00 30.31 H new ATOM 0 HA ALA A 4 -4.631 -11.304 -1.702 1.00 64.53 H new ATOM 0 HB1 ALA A 4 -3.567 -13.533 -1.564 1.00 73.31 H new ATOM 0 HB2 ALA A 4 -4.486 -13.333 -3.075 1.00 73.31 H new ATOM 0 HB3 ALA A 4 -2.710 -13.210 -3.090 1.00 73.31 H new ATOM 53 N LEU A 5 -1.514 -10.501 -2.062 1.00 62.41 N ATOM 54 CA LEU A 5 -0.328 -10.013 -1.366 1.00 53.34 C ATOM 55 C LEU A 5 -0.681 -8.856 -0.437 1.00 3.31 C ATOM 56 O LEU A 5 -0.145 -8.747 0.666 1.00 12.44 O ATOM 57 CB LEU A 5 0.732 -9.567 -2.375 1.00 54.21 C ATOM 58 CG LEU A 5 0.847 -10.411 -3.645 1.00 54.31 C ATOM 59 CD1 LEU A 5 2.032 -9.956 -4.482 1.00 71.25 C ATOM 60 CD2 LEU A 5 0.973 -11.886 -3.295 1.00 71.32 C ATOM 0 H LEU A 5 -1.481 -10.396 -3.076 1.00 62.41 H new ATOM 0 HA LEU A 5 0.073 -10.829 -0.765 1.00 53.34 H new ATOM 0 HB2 LEU A 5 0.519 -8.538 -2.665 1.00 54.21 H new ATOM 0 HB3 LEU A 5 1.701 -9.564 -1.876 1.00 54.21 H new ATOM 0 HG LEU A 5 -0.060 -10.274 -4.233 1.00 54.31 H new ATOM 0 HD11 LEU A 5 2.098 -10.568 -5.382 1.00 71.25 H new ATOM 0 HD12 LEU A 5 1.899 -8.911 -4.763 1.00 71.25 H new ATOM 0 HD13 LEU A 5 2.949 -10.062 -3.903 1.00 71.25 H new ATOM 0 HD21 LEU A 5 1.054 -12.472 -4.211 1.00 71.32 H new ATOM 0 HD22 LEU A 5 1.863 -12.041 -2.686 1.00 71.32 H new ATOM 0 HD23 LEU A 5 0.092 -12.204 -2.737 1.00 71.32 H new ATOM 72 N PHE A 6 -1.586 -7.995 -0.889 1.00 53.23 N ATOM 73 CA PHE A 6 -2.012 -6.846 -0.098 1.00 23.21 C ATOM 74 C PHE A 6 -2.713 -7.296 1.181 1.00 64.34 C ATOM 75 O PHE A 6 -2.425 -6.798 2.269 1.00 42.20 O ATOM 76 CB PHE A 6 -2.945 -5.953 -0.917 1.00 53.14 C ATOM 77 CG PHE A 6 -3.786 -5.034 -0.078 1.00 30.45 C ATOM 78 CD1 PHE A 6 -4.944 -5.494 0.529 1.00 60.13 C ATOM 79 CD2 PHE A 6 -3.419 -3.711 0.105 1.00 4.12 C ATOM 80 CE1 PHE A 6 -5.720 -4.652 1.303 1.00 42.55 C ATOM 81 CE2 PHE A 6 -4.190 -2.864 0.878 1.00 11.12 C ATOM 82 CZ PHE A 6 -5.343 -3.334 1.477 1.00 63.44 C ATOM 0 H PHE A 6 -2.039 -8.071 -1.800 1.00 53.23 H new ATOM 0 HA PHE A 6 -1.124 -6.276 0.176 1.00 23.21 H new ATOM 0 HB2 PHE A 6 -2.350 -5.357 -1.609 1.00 53.14 H new ATOM 0 HB3 PHE A 6 -3.600 -6.582 -1.520 1.00 53.14 H new ATOM 0 HD1 PHE A 6 -5.244 -6.523 0.396 1.00 60.13 H new ATOM 0 HD2 PHE A 6 -2.520 -3.337 -0.362 1.00 4.12 H new ATOM 0 HE1 PHE A 6 -6.620 -5.024 1.771 1.00 42.55 H new ATOM 0 HE2 PHE A 6 -3.891 -1.835 1.014 1.00 11.12 H new ATOM 0 HZ PHE A 6 -5.948 -2.673 2.080 1.00 63.44 H new ATOM 92 N LYS A 7 -3.635 -8.242 1.041 1.00 73.13 N ATOM 93 CA LYS A 7 -4.378 -8.762 2.183 1.00 54.44 C ATOM 94 C LYS A 7 -3.500 -9.671 3.036 1.00 45.23 C ATOM 95 O LYS A 7 -3.721 -9.812 4.238 1.00 63.12 O ATOM 96 CB LYS A 7 -5.614 -9.529 1.707 1.00 60.12 C ATOM 97 CG LYS A 7 -6.859 -8.666 1.591 1.00 23.31 C ATOM 98 CD LYS A 7 -7.337 -8.192 2.953 1.00 30.22 C ATOM 99 CE LYS A 7 -7.754 -9.359 3.835 1.00 74.33 C ATOM 100 NZ LYS A 7 -8.974 -9.046 4.629 1.00 13.12 N ATOM 0 H LYS A 7 -3.886 -8.665 0.147 1.00 73.13 H new ATOM 0 HA LYS A 7 -4.695 -7.916 2.793 1.00 54.44 H new ATOM 0 HB2 LYS A 7 -5.401 -9.977 0.737 1.00 60.12 H new ATOM 0 HB3 LYS A 7 -5.813 -10.347 2.399 1.00 60.12 H new ATOM 0 HG2 LYS A 7 -6.648 -7.804 0.958 1.00 23.31 H new ATOM 0 HG3 LYS A 7 -7.652 -9.233 1.103 1.00 23.31 H new ATOM 0 HD2 LYS A 7 -6.542 -7.630 3.443 1.00 30.22 H new ATOM 0 HD3 LYS A 7 -8.178 -7.511 2.828 1.00 30.22 H new ATOM 0 HE2 LYS A 7 -7.940 -10.235 3.214 1.00 74.33 H new ATOM 0 HE3 LYS A 7 -6.937 -9.614 4.510 1.00 74.33 H new ATOM 0 HZ1 LYS A 7 -9.226 -9.866 5.217 1.00 13.12 H new ATOM 0 HZ2 LYS A 7 -8.789 -8.225 5.241 1.00 13.12 H new ATOM 0 HZ3 LYS A 7 -9.761 -8.827 3.985 1.00 13.12 H new ATOM 114 N GLU A 8 -2.502 -10.283 2.406 1.00 70.35 N ATOM 115 CA GLU A 8 -1.590 -11.178 3.109 1.00 51.14 C ATOM 116 C GLU A 8 -0.701 -10.400 4.074 1.00 0.41 C ATOM 117 O GLU A 8 -0.463 -10.833 5.202 1.00 72.21 O ATOM 118 CB GLU A 8 -0.725 -11.948 2.109 1.00 24.33 C ATOM 119 CG GLU A 8 0.085 -13.068 2.742 1.00 44.53 C ATOM 120 CD GLU A 8 1.040 -13.723 1.762 1.00 54.40 C ATOM 121 OE1 GLU A 8 1.001 -13.365 0.566 1.00 3.23 O ATOM 122 OE2 GLU A 8 1.825 -14.593 2.192 1.00 61.21 O ATOM 0 H GLU A 8 -2.305 -10.176 1.411 1.00 70.35 H new ATOM 0 HA GLU A 8 -2.187 -11.886 3.683 1.00 51.14 H new ATOM 0 HB2 GLU A 8 -1.366 -12.368 1.334 1.00 24.33 H new ATOM 0 HB3 GLU A 8 -0.045 -11.252 1.618 1.00 24.33 H new ATOM 0 HG2 GLU A 8 0.651 -12.671 3.585 1.00 44.53 H new ATOM 0 HG3 GLU A 8 -0.594 -13.822 3.141 1.00 44.53 H new ATOM 129 N ILE A 9 -0.213 -9.249 3.623 1.00 62.21 N ATOM 130 CA ILE A 9 0.649 -8.410 4.446 1.00 23.42 C ATOM 131 C ILE A 9 -0.123 -7.811 5.617 1.00 44.33 C ATOM 132 O ILE A 9 0.460 -7.457 6.642 1.00 43.54 O ATOM 133 CB ILE A 9 1.279 -7.271 3.623 1.00 15.11 C ATOM 134 CG1 ILE A 9 2.227 -7.840 2.566 1.00 53.35 C ATOM 135 CG2 ILE A 9 2.015 -6.302 4.536 1.00 32.02 C ATOM 136 CD1 ILE A 9 3.465 -8.484 3.148 1.00 2.32 C ATOM 0 H ILE A 9 -0.400 -8.876 2.692 1.00 62.21 H new ATOM 0 HA ILE A 9 1.443 -9.052 4.828 1.00 23.42 H new ATOM 0 HB ILE A 9 0.483 -6.727 3.115 1.00 15.11 H new ATOM 0 HG12 ILE A 9 1.691 -8.577 1.968 1.00 53.35 H new ATOM 0 HG13 ILE A 9 2.527 -7.039 1.890 1.00 53.35 H new ATOM 0 HG21 ILE A 9 2.455 -5.503 3.939 1.00 32.02 H new ATOM 0 HG22 ILE A 9 1.315 -5.876 5.254 1.00 32.02 H new ATOM 0 HG23 ILE A 9 2.804 -6.833 5.069 1.00 32.02 H new ATOM 0 HD11 ILE A 9 4.091 -8.865 2.341 1.00 2.32 H new ATOM 0 HD12 ILE A 9 4.024 -7.745 3.722 1.00 2.32 H new ATOM 0 HD13 ILE A 9 3.174 -9.307 3.801 1.00 2.32 H new ATOM 148 N ASP A 10 -1.437 -7.702 5.457 1.00 1.54 N ATOM 149 CA ASP A 10 -2.290 -7.147 6.502 1.00 32.42 C ATOM 150 C ASP A 10 -2.571 -8.187 7.583 1.00 61.03 C ATOM 151 O ASP A 10 -3.663 -8.751 7.648 1.00 53.13 O ATOM 152 CB ASP A 10 -3.606 -6.648 5.904 1.00 50.52 C ATOM 153 CG ASP A 10 -3.490 -5.244 5.342 1.00 72.33 C ATOM 154 OD1 ASP A 10 -2.349 -4.765 5.171 1.00 34.41 O ATOM 155 OD2 ASP A 10 -4.540 -4.625 5.072 1.00 74.44 O ATOM 0 H ASP A 10 -1.935 -7.990 4.615 1.00 1.54 H new ATOM 0 HA ASP A 10 -1.765 -6.307 6.958 1.00 32.42 H new ATOM 0 HB2 ASP A 10 -3.924 -7.328 5.113 1.00 50.52 H new ATOM 0 HB3 ASP A 10 -4.381 -6.667 6.671 1.00 50.52 H new ATOM 160 N VAL A 11 -1.577 -8.437 8.429 1.00 3.21 N ATOM 161 CA VAL A 11 -1.716 -9.409 9.507 1.00 13.40 C ATOM 162 C VAL A 11 -2.803 -8.987 10.489 1.00 35.33 C ATOM 163 O VAL A 11 -3.285 -9.796 11.282 1.00 52.34 O ATOM 164 CB VAL A 11 -0.392 -9.593 10.272 1.00 51.42 C ATOM 165 CG1 VAL A 11 -0.499 -10.749 11.254 1.00 63.32 C ATOM 166 CG2 VAL A 11 0.758 -9.811 9.300 1.00 32.52 C ATOM 0 H VAL A 11 -0.666 -7.980 8.389 1.00 3.21 H new ATOM 0 HA VAL A 11 -1.994 -10.356 9.045 1.00 13.40 H new ATOM 0 HB VAL A 11 -0.190 -8.685 10.839 1.00 51.42 H new ATOM 0 HG11 VAL A 11 0.446 -10.864 11.785 1.00 63.32 H new ATOM 0 HG12 VAL A 11 -1.295 -10.546 11.970 1.00 63.32 H new ATOM 0 HG13 VAL A 11 -0.724 -11.667 10.712 1.00 63.32 H new ATOM 0 HG21 VAL A 11 1.686 -9.939 9.857 1.00 32.52 H new ATOM 0 HG22 VAL A 11 0.566 -10.703 8.704 1.00 32.52 H new ATOM 0 HG23 VAL A 11 0.847 -8.947 8.642 1.00 32.52 H new ATOM 176 N ASN A 12 -3.186 -7.716 10.431 1.00 42.23 N ATOM 177 CA ASN A 12 -4.217 -7.186 11.316 1.00 60.23 C ATOM 178 C ASN A 12 -5.610 -7.493 10.773 1.00 25.54 C ATOM 179 O ASN A 12 -6.617 -7.141 11.385 1.00 51.10 O ATOM 180 CB ASN A 12 -4.046 -5.675 11.486 1.00 63.31 C ATOM 181 CG ASN A 12 -3.731 -4.978 10.176 1.00 31.04 C ATOM 182 OD1 ASN A 12 -4.045 -5.485 9.099 1.00 15.34 O ATOM 183 ND2 ASN A 12 -3.107 -3.809 10.264 1.00 71.12 N ATOM 0 H ASN A 12 -2.798 -7.033 9.780 1.00 42.23 H new ATOM 0 HA ASN A 12 -4.110 -7.669 12.287 1.00 60.23 H new ATOM 0 HB2 ASN A 12 -4.958 -5.254 11.908 1.00 63.31 H new ATOM 0 HB3 ASN A 12 -3.245 -5.481 12.200 1.00 63.31 H new ATOM 0 HD21 ASN A 12 -2.869 -3.293 9.417 1.00 71.12 H new ATOM 0 HD22 ASN A 12 -2.866 -3.427 11.179 1.00 71.12 H new ATOM 190 N GLY A 13 -5.657 -8.154 9.621 1.00 74.25 N ATOM 191 CA GLY A 13 -6.931 -8.499 9.015 1.00 4.42 C ATOM 192 C GLY A 13 -7.861 -7.307 8.905 1.00 34.23 C ATOM 193 O GLY A 13 -9.040 -7.398 9.250 1.00 3.43 O ATOM 0 H GLY A 13 -4.837 -8.457 9.096 1.00 74.25 H new ATOM 0 HA2 GLY A 13 -6.757 -8.914 8.022 1.00 4.42 H new ATOM 0 HA3 GLY A 13 -7.412 -9.278 9.606 1.00 4.42 H new ATOM 197 N ASP A 14 -7.332 -6.187 8.425 1.00 30.42 N ATOM 198 CA ASP A 14 -8.123 -4.972 8.271 1.00 35.24 C ATOM 199 C ASP A 14 -8.407 -4.691 6.799 1.00 32.21 C ATOM 200 O ASP A 14 -9.300 -3.914 6.466 1.00 15.30 O ATOM 201 CB ASP A 14 -7.397 -3.782 8.900 1.00 50.01 C ATOM 202 CG ASP A 14 -5.989 -3.614 8.363 1.00 53.31 C ATOM 203 OD1 ASP A 14 -5.629 -4.331 7.405 1.00 14.44 O ATOM 204 OD2 ASP A 14 -5.248 -2.765 8.899 1.00 3.54 O ATOM 0 H ASP A 14 -6.358 -6.095 8.136 1.00 30.42 H new ATOM 0 HA ASP A 14 -9.074 -5.120 8.784 1.00 35.24 H new ATOM 0 HB2 ASP A 14 -7.966 -2.872 8.711 1.00 50.01 H new ATOM 0 HB3 ASP A 14 -7.357 -3.914 9.981 1.00 50.01 H new ATOM 209 N GLY A 15 -7.639 -5.329 5.921 1.00 31.41 N ATOM 210 CA GLY A 15 -7.823 -5.134 4.495 1.00 42.11 C ATOM 211 C GLY A 15 -7.500 -3.719 4.057 1.00 10.04 C ATOM 212 O GLY A 15 -7.933 -3.277 2.994 1.00 71.13 O ATOM 0 H GLY A 15 -6.893 -5.977 6.172 1.00 31.41 H new ATOM 0 HA2 GLY A 15 -7.188 -5.833 3.951 1.00 42.11 H new ATOM 0 HA3 GLY A 15 -8.854 -5.367 4.230 1.00 42.11 H new ATOM 216 N ALA A 16 -6.738 -3.006 4.881 1.00 53.14 N ATOM 217 CA ALA A 16 -6.358 -1.633 4.573 1.00 42.04 C ATOM 218 C ALA A 16 -4.873 -1.404 4.831 1.00 44.20 C ATOM 219 O ALA A 16 -4.338 -1.826 5.857 1.00 51.15 O ATOM 220 CB ALA A 16 -7.194 -0.658 5.388 1.00 10.01 C ATOM 0 H ALA A 16 -6.372 -3.357 5.766 1.00 53.14 H new ATOM 0 HA ALA A 16 -6.547 -1.459 3.514 1.00 42.04 H new ATOM 0 HB1 ALA A 16 -6.899 0.363 5.148 1.00 10.01 H new ATOM 0 HB2 ALA A 16 -8.249 -0.797 5.151 1.00 10.01 H new ATOM 0 HB3 ALA A 16 -7.034 -0.841 6.450 1.00 10.01 H new ATOM 226 N VAL A 17 -4.210 -0.733 3.894 1.00 51.01 N ATOM 227 CA VAL A 17 -2.786 -0.447 4.021 1.00 60.34 C ATOM 228 C VAL A 17 -2.513 1.048 3.902 1.00 64.24 C ATOM 229 O VAL A 17 -2.682 1.637 2.834 1.00 3.23 O ATOM 230 CB VAL A 17 -1.966 -1.195 2.952 1.00 54.52 C ATOM 231 CG1 VAL A 17 -0.522 -0.717 2.955 1.00 14.42 C ATOM 232 CG2 VAL A 17 -2.040 -2.697 3.179 1.00 41.04 C ATOM 0 H VAL A 17 -4.637 -0.377 3.039 1.00 51.01 H new ATOM 0 HA VAL A 17 -2.481 -0.791 5.009 1.00 60.34 H new ATOM 0 HB VAL A 17 -2.393 -0.977 1.973 1.00 54.52 H new ATOM 0 HG11 VAL A 17 0.041 -1.256 2.194 1.00 14.42 H new ATOM 0 HG12 VAL A 17 -0.492 0.351 2.740 1.00 14.42 H new ATOM 0 HG13 VAL A 17 -0.079 -0.903 3.934 1.00 14.42 H new ATOM 0 HG21 VAL A 17 -1.455 -3.210 2.415 1.00 41.04 H new ATOM 0 HG22 VAL A 17 -1.639 -2.936 4.164 1.00 41.04 H new ATOM 0 HG23 VAL A 17 -3.078 -3.023 3.121 1.00 41.04 H new ATOM 242 N SER A 18 -2.089 1.656 5.005 1.00 65.21 N ATOM 243 CA SER A 18 -1.794 3.084 5.026 1.00 74.13 C ATOM 244 C SER A 18 -0.382 3.355 4.516 1.00 12.20 C ATOM 245 O SER A 18 0.374 2.428 4.227 1.00 62.23 O ATOM 246 CB SER A 18 -1.953 3.638 6.443 1.00 44.22 C ATOM 247 OG SER A 18 -2.078 2.591 7.389 1.00 30.20 O ATOM 0 H SER A 18 -1.942 1.182 5.896 1.00 65.21 H new ATOM 0 HA SER A 18 -2.502 3.586 4.366 1.00 74.13 H new ATOM 0 HB2 SER A 18 -1.092 4.258 6.693 1.00 44.22 H new ATOM 0 HB3 SER A 18 -2.832 4.281 6.489 1.00 44.22 H new ATOM 0 HG SER A 18 -2.177 2.971 8.287 1.00 30.20 H new ATOM 253 N TYR A 19 -0.034 4.633 4.409 1.00 72.42 N ATOM 254 CA TYR A 19 1.286 5.028 3.932 1.00 72.32 C ATOM 255 C TYR A 19 2.382 4.260 4.664 1.00 20.31 C ATOM 256 O TYR A 19 3.316 3.750 4.046 1.00 51.10 O ATOM 257 CB TYR A 19 1.490 6.532 4.119 1.00 55.11 C ATOM 258 CG TYR A 19 1.350 6.988 5.554 1.00 54.34 C ATOM 259 CD1 TYR A 19 0.099 7.226 6.109 1.00 54.41 C ATOM 260 CD2 TYR A 19 2.469 7.180 6.354 1.00 10.32 C ATOM 261 CE1 TYR A 19 -0.034 7.644 7.419 1.00 43.10 C ATOM 262 CE2 TYR A 19 2.346 7.596 7.666 1.00 42.41 C ATOM 263 CZ TYR A 19 1.093 7.827 8.193 1.00 11.44 C ATOM 264 OH TYR A 19 0.965 8.242 9.499 1.00 23.04 O ATOM 0 H TYR A 19 -0.648 5.413 4.646 1.00 72.42 H new ATOM 0 HA TYR A 19 1.347 4.789 2.870 1.00 72.32 H new ATOM 0 HB2 TYR A 19 2.481 6.804 3.755 1.00 55.11 H new ATOM 0 HB3 TYR A 19 0.767 7.068 3.504 1.00 55.11 H new ATOM 0 HD1 TYR A 19 -0.785 7.082 5.506 1.00 54.41 H new ATOM 0 HD2 TYR A 19 3.452 7.001 5.944 1.00 10.32 H new ATOM 0 HE1 TYR A 19 -1.014 7.826 7.834 1.00 43.10 H new ATOM 0 HE2 TYR A 19 3.226 7.739 8.275 1.00 42.41 H new ATOM 0 HH TYR A 19 1.853 8.321 9.906 1.00 23.04 H new ATOM 274 N GLU A 20 2.259 4.182 5.985 1.00 22.45 N ATOM 275 CA GLU A 20 3.239 3.476 6.803 1.00 44.23 C ATOM 276 C GLU A 20 3.316 2.004 6.410 1.00 65.42 C ATOM 277 O GLU A 20 4.402 1.464 6.197 1.00 54.11 O ATOM 278 CB GLU A 20 2.885 3.602 8.286 1.00 72.21 C ATOM 279 CG GLU A 20 3.787 4.557 9.049 1.00 40.24 C ATOM 280 CD GLU A 20 4.190 4.019 10.408 1.00 41.32 C ATOM 281 OE1 GLU A 20 4.524 2.820 10.497 1.00 62.55 O ATOM 282 OE2 GLU A 20 4.171 4.799 11.383 1.00 3.31 O ATOM 0 H GLU A 20 1.491 4.598 6.512 1.00 22.45 H new ATOM 0 HA GLU A 20 4.214 3.932 6.630 1.00 44.23 H new ATOM 0 HB2 GLU A 20 1.853 3.940 8.377 1.00 72.21 H new ATOM 0 HB3 GLU A 20 2.939 2.617 8.749 1.00 72.21 H new ATOM 0 HG2 GLU A 20 4.683 4.753 8.460 1.00 40.24 H new ATOM 0 HG3 GLU A 20 3.275 5.510 9.177 1.00 40.24 H new ATOM 289 N GLU A 21 2.157 1.360 6.317 1.00 53.52 N ATOM 290 CA GLU A 21 2.093 -0.050 5.951 1.00 3.32 C ATOM 291 C GLU A 21 2.770 -0.294 4.605 1.00 14.32 C ATOM 292 O GLU A 21 3.428 -1.315 4.404 1.00 14.44 O ATOM 293 CB GLU A 21 0.638 -0.520 5.896 1.00 63.11 C ATOM 294 CG GLU A 21 0.095 -0.978 7.239 1.00 23.11 C ATOM 295 CD GLU A 21 -0.591 -2.328 7.161 1.00 15.22 C ATOM 296 OE1 GLU A 21 -1.096 -2.674 6.072 1.00 10.04 O ATOM 297 OE2 GLU A 21 -0.625 -3.037 8.188 1.00 22.31 O ATOM 0 H GLU A 21 1.250 1.792 6.490 1.00 53.52 H new ATOM 0 HA GLU A 21 2.623 -0.621 6.713 1.00 3.32 H new ATOM 0 HB2 GLU A 21 0.016 0.293 5.520 1.00 63.11 H new ATOM 0 HB3 GLU A 21 0.557 -1.340 5.182 1.00 63.11 H new ATOM 0 HG2 GLU A 21 0.912 -1.031 7.958 1.00 23.11 H new ATOM 0 HG3 GLU A 21 -0.611 -0.237 7.613 1.00 23.11 H new ATOM 304 N VAL A 22 2.602 0.651 3.685 1.00 10.23 N ATOM 305 CA VAL A 22 3.196 0.540 2.358 1.00 11.34 C ATOM 306 C VAL A 22 4.718 0.555 2.435 1.00 64.22 C ATOM 307 O VAL A 22 5.385 -0.353 1.937 1.00 41.31 O ATOM 308 CB VAL A 22 2.728 1.682 1.437 1.00 41.41 C ATOM 309 CG1 VAL A 22 3.539 1.696 0.150 1.00 51.40 C ATOM 310 CG2 VAL A 22 1.242 1.551 1.139 1.00 1.41 C ATOM 0 H VAL A 22 2.060 1.502 3.834 1.00 10.23 H new ATOM 0 HA VAL A 22 2.866 -0.411 1.941 1.00 11.34 H new ATOM 0 HB VAL A 22 2.890 2.630 1.951 1.00 41.41 H new ATOM 0 HG11 VAL A 22 3.194 2.509 -0.488 1.00 51.40 H new ATOM 0 HG12 VAL A 22 4.593 1.842 0.386 1.00 51.40 H new ATOM 0 HG13 VAL A 22 3.411 0.747 -0.371 1.00 51.40 H new ATOM 0 HG21 VAL A 22 0.928 2.366 0.487 1.00 1.41 H new ATOM 0 HG22 VAL A 22 1.053 0.598 0.645 1.00 1.41 H new ATOM 0 HG23 VAL A 22 0.679 1.595 2.071 1.00 1.41 H new ATOM 320 N LYS A 23 5.264 1.591 3.062 1.00 11.23 N ATOM 321 CA LYS A 23 6.709 1.725 3.207 1.00 74.12 C ATOM 322 C LYS A 23 7.305 0.491 3.877 1.00 51.12 C ATOM 323 O LYS A 23 8.403 0.055 3.531 1.00 15.12 O ATOM 324 CB LYS A 23 7.047 2.975 4.022 1.00 32.14 C ATOM 325 CG LYS A 23 7.692 4.079 3.203 1.00 2.34 C ATOM 326 CD LYS A 23 9.091 3.693 2.751 1.00 54.50 C ATOM 327 CE LYS A 23 10.024 3.495 3.935 1.00 64.20 C ATOM 328 NZ LYS A 23 10.046 4.685 4.830 1.00 63.20 N ATOM 0 H LYS A 23 4.727 2.351 3.479 1.00 11.23 H new ATOM 0 HA LYS A 23 7.142 1.821 2.211 1.00 74.12 H new ATOM 0 HB2 LYS A 23 6.135 3.359 4.478 1.00 32.14 H new ATOM 0 HB3 LYS A 23 7.718 2.698 4.835 1.00 32.14 H new ATOM 0 HG2 LYS A 23 7.074 4.296 2.332 1.00 2.34 H new ATOM 0 HG3 LYS A 23 7.739 4.993 3.795 1.00 2.34 H new ATOM 0 HD2 LYS A 23 9.045 2.775 2.165 1.00 54.50 H new ATOM 0 HD3 LYS A 23 9.490 4.469 2.097 1.00 54.50 H new ATOM 0 HE2 LYS A 23 9.709 2.620 4.503 1.00 64.20 H new ATOM 0 HE3 LYS A 23 11.032 3.294 3.573 1.00 64.20 H new ATOM 0 HZ1 LYS A 23 10.873 4.631 5.458 1.00 63.20 H new ATOM 0 HZ2 LYS A 23 10.103 5.550 4.256 1.00 63.20 H new ATOM 0 HZ3 LYS A 23 9.177 4.706 5.402 1.00 63.20 H new ATOM 342 N ALA A 24 6.574 -0.068 4.836 1.00 54.53 N ATOM 343 CA ALA A 24 7.029 -1.253 5.551 1.00 21.01 C ATOM 344 C ALA A 24 7.043 -2.474 4.638 1.00 52.04 C ATOM 345 O ALA A 24 7.974 -3.279 4.674 1.00 10.32 O ATOM 346 CB ALA A 24 6.147 -1.509 6.764 1.00 11.21 C ATOM 0 H ALA A 24 5.664 0.281 5.135 1.00 54.53 H new ATOM 0 HA ALA A 24 8.050 -1.073 5.889 1.00 21.01 H new ATOM 0 HB1 ALA A 24 6.499 -2.397 7.289 1.00 11.21 H new ATOM 0 HB2 ALA A 24 6.192 -0.650 7.434 1.00 11.21 H new ATOM 0 HB3 ALA A 24 5.118 -1.663 6.440 1.00 11.21 H new ATOM 352 N PHE A 25 6.004 -2.607 3.819 1.00 3.43 N ATOM 353 CA PHE A 25 5.896 -3.731 2.897 1.00 23.11 C ATOM 354 C PHE A 25 7.162 -3.868 2.056 1.00 21.21 C ATOM 355 O PHE A 25 7.755 -4.944 1.976 1.00 34.44 O ATOM 356 CB PHE A 25 4.681 -3.555 1.985 1.00 52.14 C ATOM 357 CG PHE A 25 4.383 -4.763 1.143 1.00 13.12 C ATOM 358 CD1 PHE A 25 5.040 -5.961 1.371 1.00 73.33 C ATOM 359 CD2 PHE A 25 3.446 -4.700 0.124 1.00 12.33 C ATOM 360 CE1 PHE A 25 4.768 -7.075 0.599 1.00 55.15 C ATOM 361 CE2 PHE A 25 3.169 -5.810 -0.651 1.00 2.02 C ATOM 362 CZ PHE A 25 3.832 -6.999 -0.414 1.00 53.33 C ATOM 0 H PHE A 25 5.225 -1.950 3.776 1.00 3.43 H new ATOM 0 HA PHE A 25 5.771 -4.640 3.485 1.00 23.11 H new ATOM 0 HB2 PHE A 25 3.809 -3.324 2.596 1.00 52.14 H new ATOM 0 HB3 PHE A 25 4.848 -2.699 1.331 1.00 52.14 H new ATOM 0 HD1 PHE A 25 5.773 -6.025 2.161 1.00 73.33 H new ATOM 0 HD2 PHE A 25 2.926 -3.773 -0.067 1.00 12.33 H new ATOM 0 HE1 PHE A 25 5.287 -8.003 0.788 1.00 55.15 H new ATOM 0 HE2 PHE A 25 2.435 -5.748 -1.441 1.00 2.02 H new ATOM 0 HZ PHE A 25 3.619 -7.867 -1.020 1.00 53.33 H new ATOM 372 N VAL A 26 7.571 -2.770 1.429 1.00 12.41 N ATOM 373 CA VAL A 26 8.766 -2.766 0.594 1.00 10.31 C ATOM 374 C VAL A 26 10.027 -2.907 1.439 1.00 20.50 C ATOM 375 O VAL A 26 11.033 -3.452 0.985 1.00 61.04 O ATOM 376 CB VAL A 26 8.863 -1.475 -0.241 1.00 21.02 C ATOM 377 CG1 VAL A 26 9.678 -0.423 0.495 1.00 2.33 C ATOM 378 CG2 VAL A 26 9.465 -1.769 -1.607 1.00 2.44 C ATOM 0 H VAL A 26 7.092 -1.871 1.484 1.00 12.41 H new ATOM 0 HA VAL A 26 8.685 -3.620 -0.079 1.00 10.31 H new ATOM 0 HB VAL A 26 7.857 -1.082 -0.389 1.00 21.02 H new ATOM 0 HG11 VAL A 26 9.736 0.482 -0.110 1.00 2.33 H new ATOM 0 HG12 VAL A 26 9.200 -0.193 1.447 1.00 2.33 H new ATOM 0 HG13 VAL A 26 10.683 -0.803 0.676 1.00 2.33 H new ATOM 0 HG21 VAL A 26 9.526 -0.846 -2.184 1.00 2.44 H new ATOM 0 HG22 VAL A 26 10.464 -2.186 -1.482 1.00 2.44 H new ATOM 0 HG23 VAL A 26 8.836 -2.486 -2.135 1.00 2.44 H new ATOM 388 N SER A 27 9.965 -2.414 2.672 1.00 65.03 N ATOM 389 CA SER A 27 11.104 -2.483 3.580 1.00 10.42 C ATOM 390 C SER A 27 11.450 -3.932 3.910 1.00 53.44 C ATOM 391 O SER A 27 12.578 -4.242 4.292 1.00 0.23 O ATOM 392 CB SER A 27 10.803 -1.713 4.868 1.00 41.13 C ATOM 393 OG SER A 27 11.581 -0.531 4.949 1.00 24.54 O ATOM 0 H SER A 27 9.139 -1.963 3.065 1.00 65.03 H new ATOM 0 HA SER A 27 11.961 -2.028 3.083 1.00 10.42 H new ATOM 0 HB2 SER A 27 9.744 -1.458 4.904 1.00 41.13 H new ATOM 0 HB3 SER A 27 11.008 -2.347 5.731 1.00 41.13 H new ATOM 0 HG SER A 27 11.369 -0.056 5.780 1.00 24.54 H new ATOM 399 N LYS A 28 10.470 -4.816 3.758 1.00 72.10 N ATOM 400 CA LYS A 28 10.668 -6.233 4.037 1.00 33.43 C ATOM 401 C LYS A 28 11.525 -6.886 2.958 1.00 63.02 C ATOM 402 O LYS A 28 11.927 -8.043 3.084 1.00 10.03 O ATOM 403 CB LYS A 28 9.318 -6.949 4.133 1.00 2.32 C ATOM 404 CG LYS A 28 8.569 -6.664 5.424 1.00 64.23 C ATOM 405 CD LYS A 28 9.296 -7.239 6.628 1.00 32.02 C ATOM 406 CE LYS A 28 9.411 -8.753 6.539 1.00 23.01 C ATOM 407 NZ LYS A 28 8.987 -9.417 7.803 1.00 62.02 N ATOM 0 H LYS A 28 9.530 -4.576 3.443 1.00 72.10 H new ATOM 0 HA LYS A 28 11.188 -6.320 4.991 1.00 33.43 H new ATOM 0 HB2 LYS A 28 8.697 -6.650 3.289 1.00 2.32 H new ATOM 0 HB3 LYS A 28 9.479 -8.024 4.046 1.00 2.32 H new ATOM 0 HG2 LYS A 28 8.452 -5.587 5.548 1.00 64.23 H new ATOM 0 HG3 LYS A 28 7.567 -7.089 5.366 1.00 64.23 H new ATOM 0 HD2 LYS A 28 10.292 -6.801 6.696 1.00 32.02 H new ATOM 0 HD3 LYS A 28 8.764 -6.966 7.540 1.00 32.02 H new ATOM 0 HE2 LYS A 28 8.797 -9.116 5.715 1.00 23.01 H new ATOM 0 HE3 LYS A 28 10.442 -9.026 6.313 1.00 23.01 H new ATOM 0 HZ1 LYS A 28 9.080 -10.448 7.702 1.00 62.02 H new ATOM 0 HZ2 LYS A 28 9.589 -9.090 8.586 1.00 62.02 H new ATOM 0 HZ3 LYS A 28 7.995 -9.177 8.005 1.00 62.02 H new ATOM 421 N LYS A 29 11.804 -6.137 1.897 1.00 51.35 N ATOM 422 CA LYS A 29 12.616 -6.641 0.796 1.00 44.44 C ATOM 423 C LYS A 29 13.994 -5.986 0.793 1.00 63.45 C ATOM 424 O LYS A 29 14.948 -6.528 0.233 1.00 32.41 O ATOM 425 CB LYS A 29 11.916 -6.385 -0.541 1.00 31.11 C ATOM 426 CG LYS A 29 10.424 -6.668 -0.509 1.00 51.13 C ATOM 427 CD LYS A 29 10.133 -8.071 -0.005 1.00 72.41 C ATOM 428 CE LYS A 29 10.759 -9.127 -0.903 1.00 70.31 C ATOM 429 NZ LYS A 29 10.360 -10.505 -0.501 1.00 5.41 N ATOM 0 H LYS A 29 11.479 -5.178 1.776 1.00 51.35 H new ATOM 0 HA LYS A 29 12.743 -7.715 0.933 1.00 44.44 H new ATOM 0 HB2 LYS A 29 12.074 -5.347 -0.832 1.00 31.11 H new ATOM 0 HB3 LYS A 29 12.379 -7.005 -1.309 1.00 31.11 H new ATOM 0 HG2 LYS A 29 9.928 -5.940 0.133 1.00 51.13 H new ATOM 0 HG3 LYS A 29 10.008 -6.546 -1.509 1.00 51.13 H new ATOM 0 HD2 LYS A 29 10.516 -8.181 1.009 1.00 72.41 H new ATOM 0 HD3 LYS A 29 9.055 -8.225 0.043 1.00 72.41 H new ATOM 0 HE2 LYS A 29 10.460 -8.949 -1.936 1.00 70.31 H new ATOM 0 HE3 LYS A 29 11.845 -9.038 -0.866 1.00 70.31 H new ATOM 0 HZ1 LYS A 29 10.807 -11.195 -1.137 1.00 5.41 H new ATOM 0 HZ2 LYS A 29 10.668 -10.684 0.476 1.00 5.41 H new ATOM 0 HZ3 LYS A 29 9.326 -10.598 -0.561 1.00 5.41 H new ATOM 443 N ARG A 30 14.092 -4.820 1.422 1.00 51.24 N ATOM 444 CA ARG A 30 15.354 -4.093 1.491 1.00 14.42 C ATOM 445 C ARG A 30 15.214 -2.843 2.355 1.00 13.42 C ATOM 446 O ARG A 30 14.174 -2.617 2.974 1.00 23.22 O ATOM 447 CB ARG A 30 15.822 -3.705 0.087 1.00 33.22 C ATOM 448 CG ARG A 30 14.772 -2.959 -0.720 1.00 63.14 C ATOM 449 CD ARG A 30 14.647 -3.523 -2.127 1.00 41.01 C ATOM 450 NE ARG A 30 15.950 -3.711 -2.759 1.00 61.13 N ATOM 451 CZ ARG A 30 16.148 -4.489 -3.818 1.00 11.30 C ATOM 452 NH1 ARG A 30 15.133 -5.147 -4.360 1.00 54.33 N ATOM 453 NH2 ARG A 30 17.363 -4.609 -4.337 1.00 3.23 N ATOM 0 H ARG A 30 13.313 -4.358 1.891 1.00 51.24 H new ATOM 0 HA ARG A 30 16.097 -4.748 1.946 1.00 14.42 H new ATOM 0 HB2 ARG A 30 16.714 -3.084 0.169 1.00 33.22 H new ATOM 0 HB3 ARG A 30 16.110 -4.607 -0.453 1.00 33.22 H new ATOM 0 HG2 ARG A 30 13.809 -3.024 -0.214 1.00 63.14 H new ATOM 0 HG3 ARG A 30 15.034 -1.902 -0.772 1.00 63.14 H new ATOM 0 HD2 ARG A 30 14.121 -4.477 -2.090 1.00 41.01 H new ATOM 0 HD3 ARG A 30 14.043 -2.850 -2.735 1.00 41.01 H new ATOM 0 HE ARG A 30 16.752 -3.218 -2.366 1.00 61.13 H new ATOM 0 HH11 ARG A 30 14.197 -5.057 -3.964 1.00 54.33 H new ATOM 0 HH12 ARG A 30 15.288 -5.743 -5.173 1.00 54.33 H new ATOM 0 HH21 ARG A 30 18.147 -4.104 -3.923 1.00 3.23 H new ATOM 0 HH22 ARG A 30 17.514 -5.206 -5.150 1.00 3.23 H new ATOM 467 N ALA A 31 16.268 -2.034 2.392 1.00 32.11 N ATOM 468 CA ALA A 31 16.262 -0.807 3.179 1.00 50.25 C ATOM 469 C ALA A 31 16.356 0.422 2.280 1.00 62.52 C ATOM 470 O ALA A 31 17.450 0.841 1.899 1.00 15.12 O ATOM 471 CB ALA A 31 17.405 -0.818 4.182 1.00 4.23 C ATOM 0 H ALA A 31 17.137 -2.206 1.886 1.00 32.11 H new ATOM 0 HA ALA A 31 15.318 -0.757 3.721 1.00 50.25 H new ATOM 0 HB1 ALA A 31 17.388 0.104 4.763 1.00 4.23 H new ATOM 0 HB2 ALA A 31 17.293 -1.671 4.852 1.00 4.23 H new ATOM 0 HB3 ALA A 31 18.354 -0.895 3.651 1.00 4.23 H new ATOM 477 N ILE A 32 15.205 0.993 1.944 1.00 75.21 N ATOM 478 CA ILE A 32 15.158 2.173 1.090 1.00 4.21 C ATOM 479 C ILE A 32 14.220 3.230 1.663 1.00 74.41 C ATOM 480 O ILE A 32 12.999 3.124 1.541 1.00 21.53 O ATOM 481 CB ILE A 32 14.703 1.818 -0.338 1.00 20.14 C ATOM 482 CG1 ILE A 32 13.456 0.933 -0.293 1.00 72.31 C ATOM 483 CG2 ILE A 32 15.825 1.123 -1.094 1.00 45.31 C ATOM 484 CD1 ILE A 32 12.382 1.352 -1.273 1.00 22.12 C ATOM 0 H ILE A 32 14.292 0.657 2.250 1.00 75.21 H new ATOM 0 HA ILE A 32 16.171 2.573 1.050 1.00 4.21 H new ATOM 0 HB ILE A 32 14.454 2.739 -0.864 1.00 20.14 H new ATOM 0 HG12 ILE A 32 13.744 -0.098 -0.501 1.00 72.31 H new ATOM 0 HG13 ILE A 32 13.043 0.952 0.716 1.00 72.31 H new ATOM 0 HG21 ILE A 32 15.488 0.878 -2.101 1.00 45.31 H new ATOM 0 HG22 ILE A 32 16.689 1.784 -1.151 1.00 45.31 H new ATOM 0 HG23 ILE A 32 16.103 0.207 -0.572 1.00 45.31 H new ATOM 0 HD11 ILE A 32 11.528 0.680 -1.186 1.00 22.12 H new ATOM 0 HD12 ILE A 32 12.066 2.372 -1.052 1.00 22.12 H new ATOM 0 HD13 ILE A 32 12.777 1.306 -2.288 1.00 22.12 H new ATOM 496 N LYS A 33 14.797 4.251 2.287 1.00 63.41 N ATOM 497 CA LYS A 33 14.014 5.330 2.877 1.00 71.33 C ATOM 498 C LYS A 33 13.647 6.373 1.826 1.00 60.21 C ATOM 499 O LYS A 33 14.486 7.171 1.411 1.00 21.01 O ATOM 500 CB LYS A 33 14.794 5.990 4.016 1.00 52.23 C ATOM 501 CG LYS A 33 15.639 5.017 4.819 1.00 34.41 C ATOM 502 CD LYS A 33 16.028 5.598 6.168 1.00 62.41 C ATOM 503 CE LYS A 33 17.508 5.394 6.456 1.00 13.01 C ATOM 504 NZ LYS A 33 17.869 5.825 7.835 1.00 34.12 N ATOM 0 H LYS A 33 15.806 4.354 2.397 1.00 63.41 H new ATOM 0 HA LYS A 33 13.094 4.902 3.276 1.00 71.33 H new ATOM 0 HB2 LYS A 33 15.441 6.763 3.602 1.00 52.23 H new ATOM 0 HB3 LYS A 33 14.092 6.487 4.686 1.00 52.23 H new ATOM 0 HG2 LYS A 33 15.086 4.090 4.967 1.00 34.41 H new ATOM 0 HG3 LYS A 33 16.539 4.765 4.257 1.00 34.41 H new ATOM 0 HD2 LYS A 33 15.796 6.663 6.188 1.00 62.41 H new ATOM 0 HD3 LYS A 33 15.435 5.128 6.953 1.00 62.41 H new ATOM 0 HE2 LYS A 33 17.762 4.342 6.326 1.00 13.01 H new ATOM 0 HE3 LYS A 33 18.100 5.956 5.733 1.00 13.01 H new ATOM 0 HZ1 LYS A 33 18.885 5.670 7.992 1.00 34.12 H new ATOM 0 HZ2 LYS A 33 17.651 6.835 7.951 1.00 34.12 H new ATOM 0 HZ3 LYS A 33 17.323 5.271 8.526 1.00 34.12 H new ATOM 518 N ASN A 34 12.388 6.361 1.401 1.00 73.40 N ATOM 519 CA ASN A 34 11.910 7.307 0.399 1.00 30.41 C ATOM 520 C ASN A 34 10.711 8.092 0.921 1.00 52.30 C ATOM 521 O ASN A 34 9.588 7.589 0.941 1.00 62.20 O ATOM 522 CB ASN A 34 11.531 6.571 -0.888 1.00 31.34 C ATOM 523 CG ASN A 34 12.693 5.792 -1.472 1.00 64.21 C ATOM 524 OD1 ASN A 34 13.729 6.363 -1.813 1.00 41.32 O ATOM 525 ND2 ASN A 34 12.526 4.480 -1.591 1.00 23.34 N ATOM 0 H ASN A 34 11.680 5.707 1.735 1.00 73.40 H new ATOM 0 HA ASN A 34 12.716 8.009 0.184 1.00 30.41 H new ATOM 0 HB2 ASN A 34 10.706 5.889 -0.684 1.00 31.34 H new ATOM 0 HB3 ASN A 34 11.174 7.292 -1.624 1.00 31.34 H new ATOM 0 HD21 ASN A 34 13.273 3.904 -1.978 1.00 23.34 H new ATOM 0 HD22 ASN A 34 11.650 4.048 -1.295 1.00 23.34 H new ATOM 532 N GLU A 35 10.958 9.329 1.342 1.00 70.13 N ATOM 533 CA GLU A 35 9.898 10.184 1.864 1.00 62.43 C ATOM 534 C GLU A 35 9.016 10.707 0.734 1.00 15.23 C ATOM 535 O GLU A 35 7.792 10.749 0.858 1.00 31.04 O ATOM 536 CB GLU A 35 10.496 11.356 2.644 1.00 40.31 C ATOM 537 CG GLU A 35 9.855 11.572 4.004 1.00 11.14 C ATOM 538 CD GLU A 35 8.647 12.486 3.942 1.00 52.44 C ATOM 539 OE1 GLU A 35 8.758 13.577 3.344 1.00 0.34 O ATOM 540 OE2 GLU A 35 7.590 12.110 4.490 1.00 54.01 O ATOM 0 H GLU A 35 11.882 9.761 1.332 1.00 70.13 H new ATOM 0 HA GLU A 35 9.282 9.587 2.536 1.00 62.43 H new ATOM 0 HB2 GLU A 35 11.564 11.185 2.778 1.00 40.31 H new ATOM 0 HB3 GLU A 35 10.391 12.266 2.053 1.00 40.31 H new ATOM 0 HG2 GLU A 35 9.556 10.609 4.417 1.00 11.14 H new ATOM 0 HG3 GLU A 35 10.592 11.996 4.685 1.00 11.14 H new ATOM 547 N GLN A 36 9.646 11.106 -0.366 1.00 24.44 N ATOM 548 CA GLN A 36 8.919 11.628 -1.516 1.00 72.33 C ATOM 549 C GLN A 36 8.166 10.513 -2.236 1.00 11.34 C ATOM 550 O GLN A 36 6.974 10.638 -2.520 1.00 11.02 O ATOM 551 CB GLN A 36 9.881 12.317 -2.485 1.00 62.11 C ATOM 552 CG GLN A 36 9.274 12.596 -3.850 1.00 50.14 C ATOM 553 CD GLN A 36 9.561 14.002 -4.340 1.00 74.23 C ATOM 554 OE1 GLN A 36 10.476 14.666 -3.854 1.00 41.42 O ATOM 555 NE2 GLN A 36 8.777 14.463 -5.308 1.00 63.24 N ATOM 0 H GLN A 36 10.659 11.078 -0.485 1.00 24.44 H new ATOM 0 HA GLN A 36 8.194 12.357 -1.155 1.00 72.33 H new ATOM 0 HB2 GLN A 36 10.214 13.257 -2.046 1.00 62.11 H new ATOM 0 HB3 GLN A 36 10.766 11.693 -2.611 1.00 62.11 H new ATOM 0 HG2 GLN A 36 9.664 11.877 -4.571 1.00 50.14 H new ATOM 0 HG3 GLN A 36 8.196 12.445 -3.802 1.00 50.14 H new ATOM 0 HE21 GLN A 36 8.030 13.878 -5.682 1.00 63.24 H new ATOM 0 HE22 GLN A 36 8.922 15.402 -5.678 1.00 63.24 H new ATOM 564 N LEU A 37 8.869 9.425 -2.528 1.00 34.41 N ATOM 565 CA LEU A 37 8.267 8.287 -3.215 1.00 13.10 C ATOM 566 C LEU A 37 7.126 7.696 -2.393 1.00 72.00 C ATOM 567 O LEU A 37 6.103 7.281 -2.939 1.00 53.24 O ATOM 568 CB LEU A 37 9.322 7.214 -3.488 1.00 44.45 C ATOM 569 CG LEU A 37 10.634 7.705 -4.102 1.00 62.23 C ATOM 570 CD1 LEU A 37 11.559 6.533 -4.392 1.00 71.22 C ATOM 571 CD2 LEU A 37 10.365 8.500 -5.371 1.00 53.52 C ATOM 0 H LEU A 37 9.856 9.306 -2.300 1.00 34.41 H new ATOM 0 HA LEU A 37 7.863 8.640 -4.164 1.00 13.10 H new ATOM 0 HB2 LEU A 37 9.550 6.709 -2.549 1.00 44.45 H new ATOM 0 HB3 LEU A 37 8.889 6.468 -4.154 1.00 44.45 H new ATOM 0 HG LEU A 37 11.126 8.361 -3.384 1.00 62.23 H new ATOM 0 HD11 LEU A 37 12.487 6.902 -4.828 1.00 71.22 H new ATOM 0 HD12 LEU A 37 11.779 6.005 -3.464 1.00 71.22 H new ATOM 0 HD13 LEU A 37 11.075 5.852 -5.091 1.00 71.22 H new ATOM 0 HD21 LEU A 37 11.310 8.841 -5.794 1.00 53.52 H new ATOM 0 HD22 LEU A 37 9.851 7.867 -6.095 1.00 53.52 H new ATOM 0 HD23 LEU A 37 9.741 9.362 -5.135 1.00 53.52 H new ATOM 583 N LEU A 38 7.307 7.662 -1.077 1.00 41.35 N ATOM 584 CA LEU A 38 6.292 7.124 -0.179 1.00 12.23 C ATOM 585 C LEU A 38 5.005 7.938 -0.262 1.00 14.35 C ATOM 586 O LEU A 38 3.914 7.381 -0.383 1.00 0.23 O ATOM 587 CB LEU A 38 6.810 7.114 1.260 1.00 23.53 C ATOM 588 CG LEU A 38 5.802 6.702 2.334 1.00 64.41 C ATOM 589 CD1 LEU A 38 4.963 7.895 2.764 1.00 73.55 C ATOM 590 CD2 LEU A 38 4.913 5.576 1.827 1.00 70.14 C ATOM 0 H LEU A 38 8.147 8.001 -0.609 1.00 41.35 H new ATOM 0 HA LEU A 38 6.074 6.102 -0.488 1.00 12.23 H new ATOM 0 HB2 LEU A 38 7.664 6.438 1.313 1.00 23.53 H new ATOM 0 HB3 LEU A 38 7.178 8.112 1.499 1.00 23.53 H new ATOM 0 HG LEU A 38 6.352 6.340 3.202 1.00 64.41 H new ATOM 0 HD11 LEU A 38 4.252 7.583 3.528 1.00 73.55 H new ATOM 0 HD12 LEU A 38 5.614 8.670 3.169 1.00 73.55 H new ATOM 0 HD13 LEU A 38 4.422 8.288 1.903 1.00 73.55 H new ATOM 0 HD21 LEU A 38 4.202 5.296 2.604 1.00 70.14 H new ATOM 0 HD22 LEU A 38 4.371 5.911 0.943 1.00 70.14 H new ATOM 0 HD23 LEU A 38 5.529 4.714 1.570 1.00 70.14 H new ATOM 602 N GLN A 39 5.141 9.259 -0.197 1.00 74.12 N ATOM 603 CA GLN A 39 3.988 10.149 -0.267 1.00 10.35 C ATOM 604 C GLN A 39 3.279 10.018 -1.611 1.00 0.55 C ATOM 605 O GLN A 39 2.067 9.809 -1.667 1.00 35.10 O ATOM 606 CB GLN A 39 4.423 11.599 -0.045 1.00 12.01 C ATOM 607 CG GLN A 39 3.464 12.395 0.826 1.00 5.30 C ATOM 608 CD GLN A 39 2.103 12.573 0.184 1.00 73.30 C ATOM 609 OE1 GLN A 39 1.958 13.294 -0.804 1.00 25.42 O ATOM 610 NE2 GLN A 39 1.094 11.914 0.743 1.00 41.31 N ATOM 0 H GLN A 39 6.037 9.736 -0.096 1.00 74.12 H new ATOM 0 HA GLN A 39 3.290 9.862 0.520 1.00 10.35 H new ATOM 0 HB2 GLN A 39 5.411 11.607 0.416 1.00 12.01 H new ATOM 0 HB3 GLN A 39 4.518 12.093 -1.012 1.00 12.01 H new ATOM 0 HG2 GLN A 39 3.346 11.890 1.785 1.00 5.30 H new ATOM 0 HG3 GLN A 39 3.895 13.375 1.033 1.00 5.30 H new ATOM 0 HE21 GLN A 39 1.259 11.327 1.561 1.00 41.31 H new ATOM 0 HE22 GLN A 39 0.154 11.995 0.354 1.00 41.31 H new ATOM 619 N LEU A 40 4.042 10.144 -2.691 1.00 30.43 N ATOM 620 CA LEU A 40 3.487 10.040 -4.036 1.00 32.42 C ATOM 621 C LEU A 40 2.870 8.664 -4.265 1.00 74.32 C ATOM 622 O LEU A 40 1.717 8.552 -4.683 1.00 72.32 O ATOM 623 CB LEU A 40 4.574 10.304 -5.079 1.00 54.12 C ATOM 624 CG LEU A 40 4.150 11.129 -6.295 1.00 41.01 C ATOM 625 CD1 LEU A 40 5.299 11.250 -7.284 1.00 50.42 C ATOM 626 CD2 LEU A 40 2.932 10.508 -6.963 1.00 62.32 C ATOM 0 H LEU A 40 5.047 10.318 -2.662 1.00 30.43 H new ATOM 0 HA LEU A 40 2.704 10.791 -4.139 1.00 32.42 H new ATOM 0 HB2 LEU A 40 5.403 10.815 -4.589 1.00 54.12 H new ATOM 0 HB3 LEU A 40 4.954 9.344 -5.430 1.00 54.12 H new ATOM 0 HG LEU A 40 3.882 12.130 -5.956 1.00 41.01 H new ATOM 0 HD11 LEU A 40 4.979 11.840 -8.143 1.00 50.42 H new ATOM 0 HD12 LEU A 40 6.144 11.740 -6.801 1.00 50.42 H new ATOM 0 HD13 LEU A 40 5.598 10.256 -7.618 1.00 50.42 H new ATOM 0 HD21 LEU A 40 2.645 11.108 -7.826 1.00 62.32 H new ATOM 0 HD22 LEU A 40 3.172 9.496 -7.289 1.00 62.32 H new ATOM 0 HD23 LEU A 40 2.105 10.474 -6.253 1.00 62.32 H new ATOM 638 N ILE A 41 3.644 7.620 -3.987 1.00 54.03 N ATOM 639 CA ILE A 41 3.171 6.252 -4.160 1.00 64.13 C ATOM 640 C ILE A 41 1.964 5.971 -3.273 1.00 31.35 C ATOM 641 O ILE A 41 1.077 5.199 -3.638 1.00 61.13 O ATOM 642 CB ILE A 41 4.278 5.230 -3.841 1.00 63.22 C ATOM 643 CG1 ILE A 41 5.383 5.294 -4.898 1.00 55.34 C ATOM 644 CG2 ILE A 41 3.696 3.827 -3.760 1.00 61.54 C ATOM 645 CD1 ILE A 41 4.925 4.872 -6.277 1.00 14.51 C ATOM 0 H ILE A 41 4.601 7.695 -3.641 1.00 54.03 H new ATOM 0 HA ILE A 41 2.882 6.148 -5.206 1.00 64.13 H new ATOM 0 HB ILE A 41 4.713 5.479 -2.873 1.00 63.22 H new ATOM 0 HG12 ILE A 41 5.769 6.312 -4.948 1.00 55.34 H new ATOM 0 HG13 ILE A 41 6.210 4.655 -4.587 1.00 55.34 H new ATOM 0 HG21 ILE A 41 4.491 3.116 -3.534 1.00 61.54 H new ATOM 0 HG22 ILE A 41 2.942 3.791 -2.974 1.00 61.54 H new ATOM 0 HG23 ILE A 41 3.238 3.568 -4.714 1.00 61.54 H new ATOM 0 HD11 ILE A 41 5.759 4.942 -6.975 1.00 14.51 H new ATOM 0 HD12 ILE A 41 4.566 3.843 -6.242 1.00 14.51 H new ATOM 0 HD13 ILE A 41 4.119 5.526 -6.609 1.00 14.51 H new ATOM 657 N PHE A 42 1.935 6.603 -2.104 1.00 42.43 N ATOM 658 CA PHE A 42 0.836 6.422 -1.164 1.00 12.35 C ATOM 659 C PHE A 42 -0.489 6.852 -1.786 1.00 73.45 C ATOM 660 O PHE A 42 -1.471 6.108 -1.761 1.00 44.50 O ATOM 661 CB PHE A 42 1.094 7.222 0.115 1.00 32.33 C ATOM 662 CG PHE A 42 -0.099 7.300 1.024 1.00 32.25 C ATOM 663 CD1 PHE A 42 -0.676 6.147 1.532 1.00 15.23 C ATOM 664 CD2 PHE A 42 -0.644 8.526 1.371 1.00 62.13 C ATOM 665 CE1 PHE A 42 -1.774 6.215 2.370 1.00 52.55 C ATOM 666 CE2 PHE A 42 -1.741 8.600 2.208 1.00 50.53 C ATOM 667 CZ PHE A 42 -2.308 7.444 2.707 1.00 63.13 C ATOM 0 H PHE A 42 2.661 7.245 -1.786 1.00 42.43 H new ATOM 0 HA PHE A 42 0.774 5.362 -0.916 1.00 12.35 H new ATOM 0 HB2 PHE A 42 1.924 6.769 0.656 1.00 32.33 H new ATOM 0 HB3 PHE A 42 1.403 8.232 -0.154 1.00 32.33 H new ATOM 0 HD1 PHE A 42 -0.263 5.184 1.270 1.00 15.23 H new ATOM 0 HD2 PHE A 42 -0.206 9.434 0.983 1.00 62.13 H new ATOM 0 HE1 PHE A 42 -2.213 5.309 2.760 1.00 52.55 H new ATOM 0 HE2 PHE A 42 -2.155 9.562 2.472 1.00 50.53 H new ATOM 0 HZ PHE A 42 -3.167 7.500 3.359 1.00 63.13 H new ATOM 677 N LYS A 43 -0.510 8.057 -2.345 1.00 74.14 N ATOM 678 CA LYS A 43 -1.713 8.587 -2.976 1.00 51.51 C ATOM 679 C LYS A 43 -1.991 7.881 -4.299 1.00 22.41 C ATOM 680 O LYS A 43 -3.143 7.747 -4.712 1.00 64.41 O ATOM 681 CB LYS A 43 -1.569 10.093 -3.211 1.00 32.15 C ATOM 682 CG LYS A 43 -2.820 10.884 -2.869 1.00 31.10 C ATOM 683 CD LYS A 43 -2.498 12.341 -2.584 1.00 2.20 C ATOM 684 CE LYS A 43 -3.122 13.263 -3.620 1.00 42.14 C ATOM 685 NZ LYS A 43 -3.346 14.633 -3.081 1.00 35.21 N ATOM 0 H LYS A 43 0.293 8.685 -2.374 1.00 74.14 H new ATOM 0 HA LYS A 43 -2.553 8.408 -2.305 1.00 51.51 H new ATOM 0 HB2 LYS A 43 -0.738 10.468 -2.614 1.00 32.15 H new ATOM 0 HB3 LYS A 43 -1.314 10.266 -4.256 1.00 32.15 H new ATOM 0 HG2 LYS A 43 -3.528 10.822 -3.695 1.00 31.10 H new ATOM 0 HG3 LYS A 43 -3.305 10.441 -1.999 1.00 31.10 H new ATOM 0 HD2 LYS A 43 -2.862 12.608 -1.592 1.00 2.20 H new ATOM 0 HD3 LYS A 43 -1.417 12.481 -2.575 1.00 2.20 H new ATOM 0 HE2 LYS A 43 -2.473 13.318 -4.494 1.00 42.14 H new ATOM 0 HE3 LYS A 43 -4.072 12.844 -3.954 1.00 42.14 H new ATOM 0 HZ1 LYS A 43 -3.772 15.230 -3.818 1.00 35.21 H new ATOM 0 HZ2 LYS A 43 -3.985 14.584 -2.262 1.00 35.21 H new ATOM 0 HZ3 LYS A 43 -2.437 15.043 -2.786 1.00 35.21 H new ATOM 699 N SER A 44 -0.928 7.429 -4.958 1.00 35.01 N ATOM 700 CA SER A 44 -1.058 6.738 -6.235 1.00 72.42 C ATOM 701 C SER A 44 -1.684 5.359 -6.046 1.00 14.33 C ATOM 702 O SER A 44 -2.632 4.995 -6.743 1.00 23.01 O ATOM 703 CB SER A 44 0.310 6.601 -6.906 1.00 73.15 C ATOM 704 OG SER A 44 0.643 7.774 -7.629 1.00 31.24 O ATOM 0 H SER A 44 0.032 7.529 -4.628 1.00 35.01 H new ATOM 0 HA SER A 44 -1.712 7.330 -6.875 1.00 72.42 H new ATOM 0 HB2 SER A 44 1.071 6.407 -6.150 1.00 73.15 H new ATOM 0 HB3 SER A 44 0.304 5.744 -7.580 1.00 73.15 H new ATOM 0 HG SER A 44 1.522 7.662 -8.047 1.00 31.24 H new ATOM 710 N ILE A 45 -1.148 4.598 -5.098 1.00 41.10 N ATOM 711 CA ILE A 45 -1.654 3.261 -4.816 1.00 20.44 C ATOM 712 C ILE A 45 -3.073 3.316 -4.259 1.00 25.22 C ATOM 713 O ILE A 45 -3.887 2.429 -4.517 1.00 43.20 O ATOM 714 CB ILE A 45 -0.750 2.517 -3.815 1.00 33.53 C ATOM 715 CG1 ILE A 45 0.621 2.244 -4.437 1.00 75.41 C ATOM 716 CG2 ILE A 45 -1.406 1.217 -3.374 1.00 33.50 C ATOM 717 CD1 ILE A 45 1.564 1.499 -3.519 1.00 34.34 C ATOM 0 H ILE A 45 -0.364 4.885 -4.512 1.00 41.10 H new ATOM 0 HA ILE A 45 -1.658 2.719 -5.762 1.00 20.44 H new ATOM 0 HB ILE A 45 -0.610 3.147 -2.937 1.00 33.53 H new ATOM 0 HG12 ILE A 45 0.487 1.668 -5.352 1.00 75.41 H new ATOM 0 HG13 ILE A 45 1.077 3.192 -4.721 1.00 75.41 H new ATOM 0 HG21 ILE A 45 -0.755 0.703 -2.667 1.00 33.50 H new ATOM 0 HG22 ILE A 45 -2.361 1.435 -2.896 1.00 33.50 H new ATOM 0 HG23 ILE A 45 -1.573 0.580 -4.243 1.00 33.50 H new ATOM 0 HD11 ILE A 45 2.516 1.341 -4.026 1.00 34.34 H new ATOM 0 HD12 ILE A 45 1.728 2.083 -2.614 1.00 34.34 H new ATOM 0 HD13 ILE A 45 1.129 0.535 -3.255 1.00 34.34 H new ATOM 729 N ASP A 46 -3.362 4.364 -3.495 1.00 60.43 N ATOM 730 CA ASP A 46 -4.684 4.537 -2.904 1.00 23.11 C ATOM 731 C ASP A 46 -5.644 5.182 -3.899 1.00 22.24 C ATOM 732 O ASP A 46 -5.404 6.289 -4.379 1.00 13.33 O ATOM 733 CB ASP A 46 -4.592 5.391 -1.638 1.00 64.32 C ATOM 734 CG ASP A 46 -5.646 5.022 -0.613 1.00 60.02 C ATOM 735 OD1 ASP A 46 -6.686 4.454 -1.009 1.00 24.22 O ATOM 736 OD2 ASP A 46 -5.431 5.301 0.585 1.00 73.22 O ATOM 0 H ASP A 46 -2.699 5.106 -3.271 1.00 60.43 H new ATOM 0 HA ASP A 46 -5.069 3.552 -2.641 1.00 23.11 H new ATOM 0 HB2 ASP A 46 -3.603 5.274 -1.196 1.00 64.32 H new ATOM 0 HB3 ASP A 46 -4.700 6.443 -1.904 1.00 64.32 H new ATOM 741 N ALA A 47 -6.730 4.480 -4.204 1.00 55.32 N ATOM 742 CA ALA A 47 -7.727 4.985 -5.141 1.00 21.32 C ATOM 743 C ALA A 47 -8.419 6.227 -4.590 1.00 34.42 C ATOM 744 O ALA A 47 -8.675 7.183 -5.322 1.00 20.21 O ATOM 745 CB ALA A 47 -8.750 3.904 -5.456 1.00 31.42 C ATOM 0 H ALA A 47 -6.942 3.561 -3.817 1.00 55.32 H new ATOM 0 HA ALA A 47 -7.215 5.265 -6.062 1.00 21.32 H new ATOM 0 HB1 ALA A 47 -9.488 4.295 -6.156 1.00 31.42 H new ATOM 0 HB2 ALA A 47 -8.247 3.045 -5.900 1.00 31.42 H new ATOM 0 HB3 ALA A 47 -9.249 3.596 -4.537 1.00 31.42 H new ATOM 751 N ASP A 48 -8.721 6.205 -3.296 1.00 41.12 N ATOM 752 CA ASP A 48 -9.384 7.330 -2.647 1.00 1.01 C ATOM 753 C ASP A 48 -8.423 8.063 -1.715 1.00 73.15 C ATOM 754 O ASP A 48 -8.686 9.190 -1.298 1.00 42.15 O ATOM 755 CB ASP A 48 -10.605 6.847 -1.863 1.00 21.42 C ATOM 756 CG ASP A 48 -10.251 5.792 -0.833 1.00 10.25 C ATOM 757 OD1 ASP A 48 -9.057 5.444 -0.727 1.00 63.51 O ATOM 758 OD2 ASP A 48 -11.169 5.315 -0.132 1.00 44.01 O ATOM 0 H ASP A 48 -8.517 5.421 -2.676 1.00 41.12 H new ATOM 0 HA ASP A 48 -9.711 8.024 -3.422 1.00 1.01 H new ATOM 0 HB2 ASP A 48 -11.072 7.696 -1.364 1.00 21.42 H new ATOM 0 HB3 ASP A 48 -11.341 6.441 -2.557 1.00 21.42 H new ATOM 763 N GLY A 49 -7.309 7.413 -1.392 1.00 40.42 N ATOM 764 CA GLY A 49 -6.327 8.018 -0.511 1.00 41.14 C ATOM 765 C GLY A 49 -6.902 8.364 0.848 1.00 71.42 C ATOM 766 O GLY A 49 -6.500 9.348 1.467 1.00 30.52 O ATOM 0 H GLY A 49 -7.069 6.479 -1.724 1.00 40.42 H new ATOM 0 HA2 GLY A 49 -5.488 7.334 -0.384 1.00 41.14 H new ATOM 0 HA3 GLY A 49 -5.934 8.922 -0.976 1.00 41.14 H new ATOM 770 N ASN A 50 -7.847 7.553 1.312 1.00 34.12 N ATOM 771 CA ASN A 50 -8.481 7.780 2.606 1.00 22.41 C ATOM 772 C ASN A 50 -7.656 7.161 3.731 1.00 12.41 C ATOM 773 O ASN A 50 -7.969 6.077 4.220 1.00 24.32 O ATOM 774 CB ASN A 50 -9.895 7.195 2.615 1.00 43.04 C ATOM 775 CG ASN A 50 -9.907 5.707 2.322 1.00 1.02 C ATOM 776 OD1 ASN A 50 -8.922 5.151 1.836 1.00 73.40 O ATOM 777 ND2 ASN A 50 -11.026 5.055 2.618 1.00 5.30 N ATOM 0 H ASN A 50 -8.191 6.733 0.812 1.00 34.12 H new ATOM 0 HA ASN A 50 -8.539 8.856 2.770 1.00 22.41 H new ATOM 0 HB2 ASN A 50 -10.353 7.375 3.587 1.00 43.04 H new ATOM 0 HB3 ASN A 50 -10.504 7.713 1.875 1.00 43.04 H new ATOM 0 HD21 ASN A 50 -11.093 4.052 2.444 1.00 5.30 H new ATOM 0 HD22 ASN A 50 -11.818 5.557 3.020 1.00 5.30 H new ATOM 784 N GLY A 51 -6.601 7.861 4.137 1.00 22.04 N ATOM 785 CA GLY A 51 -5.748 7.366 5.202 1.00 62.21 C ATOM 786 C GLY A 51 -4.956 6.141 4.788 1.00 12.13 C ATOM 787 O GLY A 51 -3.756 6.054 5.046 1.00 12.24 O ATOM 0 H GLY A 51 -6.322 8.762 3.748 1.00 22.04 H new ATOM 0 HA2 GLY A 51 -5.060 8.154 5.508 1.00 62.21 H new ATOM 0 HA3 GLY A 51 -6.360 7.123 6.070 1.00 62.21 H new ATOM 791 N GLU A 52 -5.630 5.192 4.146 1.00 21.11 N ATOM 792 CA GLU A 52 -4.981 3.965 3.699 1.00 41.12 C ATOM 793 C GLU A 52 -5.691 3.388 2.477 1.00 2.33 C ATOM 794 O GLU A 52 -6.817 3.773 2.162 1.00 72.01 O ATOM 795 CB GLU A 52 -4.962 2.931 4.827 1.00 51.33 C ATOM 796 CG GLU A 52 -6.272 2.841 5.591 1.00 20.24 C ATOM 797 CD GLU A 52 -7.475 2.722 4.676 1.00 41.41 C ATOM 798 OE1 GLU A 52 -7.511 1.777 3.862 1.00 63.55 O ATOM 799 OE2 GLU A 52 -8.381 3.576 4.775 1.00 51.35 O ATOM 0 H GLU A 52 -6.624 5.249 3.924 1.00 21.11 H new ATOM 0 HA GLU A 52 -3.955 4.208 3.421 1.00 41.12 H new ATOM 0 HB2 GLU A 52 -4.727 1.953 4.408 1.00 51.33 H new ATOM 0 HB3 GLU A 52 -4.161 3.180 5.523 1.00 51.33 H new ATOM 0 HG2 GLU A 52 -6.241 1.979 6.258 1.00 20.24 H new ATOM 0 HG3 GLU A 52 -6.384 3.725 6.218 1.00 20.24 H new ATOM 806 N ILE A 53 -5.023 2.465 1.794 1.00 35.50 N ATOM 807 CA ILE A 53 -5.590 1.834 0.608 1.00 50.50 C ATOM 808 C ILE A 53 -6.346 0.561 0.970 1.00 32.32 C ATOM 809 O ILE A 53 -5.766 -0.390 1.495 1.00 41.12 O ATOM 810 CB ILE A 53 -4.499 1.494 -0.424 1.00 41.44 C ATOM 811 CG1 ILE A 53 -3.484 2.635 -0.520 1.00 43.04 C ATOM 812 CG2 ILE A 53 -5.124 1.218 -1.784 1.00 3.32 C ATOM 813 CD1 ILE A 53 -2.141 2.302 0.092 1.00 12.10 C ATOM 0 H ILE A 53 -4.089 2.137 2.041 1.00 35.50 H new ATOM 0 HA ILE A 53 -6.283 2.552 0.169 1.00 50.50 H new ATOM 0 HB ILE A 53 -3.977 0.595 -0.096 1.00 41.44 H new ATOM 0 HG12 ILE A 53 -3.342 2.897 -1.569 1.00 43.04 H new ATOM 0 HG13 ILE A 53 -3.892 3.516 -0.024 1.00 43.04 H new ATOM 0 HG21 ILE A 53 -4.340 0.979 -2.503 1.00 3.32 H new ATOM 0 HG22 ILE A 53 -5.812 0.376 -1.704 1.00 3.32 H new ATOM 0 HG23 ILE A 53 -5.668 2.101 -2.120 1.00 3.32 H new ATOM 0 HD11 ILE A 53 -1.472 3.156 -0.012 1.00 12.10 H new ATOM 0 HD12 ILE A 53 -2.270 2.069 1.149 1.00 12.10 H new ATOM 0 HD13 ILE A 53 -1.712 1.440 -0.419 1.00 12.10 H new ATOM 825 N ASP A 54 -7.644 0.548 0.685 1.00 4.31 N ATOM 826 CA ASP A 54 -8.480 -0.610 0.978 1.00 63.01 C ATOM 827 C ASP A 54 -8.236 -1.726 -0.033 1.00 43.12 C ATOM 828 O ASP A 54 -7.739 -1.482 -1.132 1.00 53.25 O ATOM 829 CB ASP A 54 -9.957 -0.214 0.972 1.00 0.14 C ATOM 830 CG ASP A 54 -10.252 0.936 1.916 1.00 63.32 C ATOM 831 OD1 ASP A 54 -9.705 2.037 1.698 1.00 10.41 O ATOM 832 OD2 ASP A 54 -11.030 0.734 2.871 1.00 23.13 O ATOM 0 H ASP A 54 -8.140 1.327 0.251 1.00 4.31 H new ATOM 0 HA ASP A 54 -8.214 -0.977 1.969 1.00 63.01 H new ATOM 0 HB2 ASP A 54 -10.251 0.066 -0.040 1.00 0.14 H new ATOM 0 HB3 ASP A 54 -10.562 -1.076 1.253 1.00 0.14 H new ATOM 837 N GLN A 55 -8.587 -2.950 0.348 1.00 51.24 N ATOM 838 CA GLN A 55 -8.404 -4.103 -0.526 1.00 32.02 C ATOM 839 C GLN A 55 -9.040 -3.859 -1.890 1.00 41.34 C ATOM 840 O GLN A 55 -8.435 -4.135 -2.926 1.00 14.43 O ATOM 841 CB GLN A 55 -9.007 -5.355 0.114 1.00 12.32 C ATOM 842 CG GLN A 55 -10.452 -5.178 0.553 1.00 2.11 C ATOM 843 CD GLN A 55 -10.957 -6.343 1.382 1.00 44.50 C ATOM 844 OE1 GLN A 55 -11.407 -7.354 0.843 1.00 21.01 O ATOM 845 NE2 GLN A 55 -10.884 -6.206 2.701 1.00 70.21 N ATOM 0 H GLN A 55 -8.999 -3.169 1.255 1.00 51.24 H new ATOM 0 HA GLN A 55 -7.334 -4.254 -0.667 1.00 32.02 H new ATOM 0 HB2 GLN A 55 -8.950 -6.180 -0.597 1.00 12.32 H new ATOM 0 HB3 GLN A 55 -8.405 -5.637 0.978 1.00 12.32 H new ATOM 0 HG2 GLN A 55 -10.542 -4.259 1.132 1.00 2.11 H new ATOM 0 HG3 GLN A 55 -11.084 -5.063 -0.328 1.00 2.11 H new ATOM 0 HE21 GLN A 55 -10.503 -5.350 3.105 1.00 70.21 H new ATOM 0 HE22 GLN A 55 -11.208 -6.957 3.310 1.00 70.21 H new ATOM 854 N ASN A 56 -10.263 -3.340 -1.883 1.00 55.34 N ATOM 855 CA ASN A 56 -10.982 -3.059 -3.121 1.00 62.12 C ATOM 856 C ASN A 56 -10.193 -2.094 -4.001 1.00 11.31 C ATOM 857 O ASN A 56 -9.988 -2.347 -5.187 1.00 52.25 O ATOM 858 CB ASN A 56 -12.362 -2.475 -2.813 1.00 42.32 C ATOM 859 CG ASN A 56 -13.444 -3.042 -3.712 1.00 24.02 C ATOM 860 OD1 ASN A 56 -13.747 -4.234 -3.660 1.00 70.02 O ATOM 861 ND2 ASN A 56 -14.031 -2.188 -4.542 1.00 32.02 N ATOM 0 H ASN A 56 -10.777 -3.105 -1.034 1.00 55.34 H new ATOM 0 HA ASN A 56 -11.105 -3.998 -3.661 1.00 62.12 H new ATOM 0 HB2 ASN A 56 -12.615 -2.678 -1.772 1.00 42.32 H new ATOM 0 HB3 ASN A 56 -12.329 -1.392 -2.928 1.00 42.32 H new ATOM 0 HD21 ASN A 56 -14.766 -2.512 -5.171 1.00 32.02 H new ATOM 0 HD22 ASN A 56 -13.747 -1.208 -4.550 1.00 32.02 H new ATOM 868 N GLU A 57 -9.753 -0.987 -3.409 1.00 72.45 N ATOM 869 CA GLU A 57 -8.987 0.016 -4.140 1.00 33.41 C ATOM 870 C GLU A 57 -7.684 -0.575 -4.671 1.00 75.22 C ATOM 871 O GLU A 57 -7.290 -0.315 -5.808 1.00 60.11 O ATOM 872 CB GLU A 57 -8.686 1.215 -3.239 1.00 51.32 C ATOM 873 CG GLU A 57 -9.928 1.852 -2.638 1.00 62.00 C ATOM 874 CD GLU A 57 -9.666 2.473 -1.280 1.00 22.34 C ATOM 875 OE1 GLU A 57 -8.482 2.613 -0.909 1.00 44.54 O ATOM 876 OE2 GLU A 57 -10.646 2.818 -0.587 1.00 21.02 O ATOM 0 H GLU A 57 -9.914 -0.763 -2.427 1.00 72.45 H new ATOM 0 HA GLU A 57 -9.587 0.348 -4.987 1.00 33.41 H new ATOM 0 HB2 GLU A 57 -8.025 0.896 -2.433 1.00 51.32 H new ATOM 0 HB3 GLU A 57 -8.146 1.966 -3.816 1.00 51.32 H new ATOM 0 HG2 GLU A 57 -10.304 2.617 -3.317 1.00 62.00 H new ATOM 0 HG3 GLU A 57 -10.709 1.098 -2.544 1.00 62.00 H new ATOM 883 N PHE A 58 -7.020 -1.371 -3.840 1.00 34.31 N ATOM 884 CA PHE A 58 -5.761 -1.998 -4.224 1.00 72.42 C ATOM 885 C PHE A 58 -5.971 -2.983 -5.371 1.00 55.30 C ATOM 886 O PHE A 58 -5.183 -3.030 -6.315 1.00 31.33 O ATOM 887 CB PHE A 58 -5.139 -2.719 -3.026 1.00 53.02 C ATOM 888 CG PHE A 58 -3.671 -2.991 -3.187 1.00 21.25 C ATOM 889 CD1 PHE A 58 -3.231 -4.114 -3.869 1.00 54.23 C ATOM 890 CD2 PHE A 58 -2.730 -2.125 -2.654 1.00 11.51 C ATOM 891 CE1 PHE A 58 -1.881 -4.367 -4.019 1.00 61.10 C ATOM 892 CE2 PHE A 58 -1.378 -2.372 -2.801 1.00 34.42 C ATOM 893 CZ PHE A 58 -0.953 -3.496 -3.483 1.00 52.41 C ATOM 0 H PHE A 58 -7.333 -1.597 -2.896 1.00 34.31 H new ATOM 0 HA PHE A 58 -5.082 -1.214 -4.561 1.00 72.42 H new ATOM 0 HB2 PHE A 58 -5.293 -2.118 -2.130 1.00 53.02 H new ATOM 0 HB3 PHE A 58 -5.660 -3.663 -2.869 1.00 53.02 H new ATOM 0 HD1 PHE A 58 -3.952 -4.800 -4.288 1.00 54.23 H new ATOM 0 HD2 PHE A 58 -3.057 -1.247 -2.117 1.00 11.51 H new ATOM 0 HE1 PHE A 58 -1.552 -5.245 -4.555 1.00 61.10 H new ATOM 0 HE2 PHE A 58 -0.655 -1.687 -2.383 1.00 34.42 H new ATOM 0 HZ PHE A 58 0.103 -3.693 -3.597 1.00 52.41 H new ATOM 903 N ALA A 59 -7.041 -3.767 -5.281 1.00 64.01 N ATOM 904 CA ALA A 59 -7.356 -4.749 -6.311 1.00 32.33 C ATOM 905 C ALA A 59 -7.578 -4.077 -7.661 1.00 55.12 C ATOM 906 O ALA A 59 -6.976 -4.460 -8.664 1.00 45.31 O ATOM 907 CB ALA A 59 -8.583 -5.556 -5.912 1.00 52.13 C ATOM 0 H ALA A 59 -7.703 -3.741 -4.506 1.00 64.01 H new ATOM 0 HA ALA A 59 -6.506 -5.424 -6.407 1.00 32.33 H new ATOM 0 HB1 ALA A 59 -8.807 -6.286 -6.690 1.00 52.13 H new ATOM 0 HB2 ALA A 59 -8.388 -6.075 -4.973 1.00 52.13 H new ATOM 0 HB3 ALA A 59 -9.434 -4.886 -5.786 1.00 52.13 H new ATOM 913 N LYS A 60 -8.448 -3.073 -7.681 1.00 14.32 N ATOM 914 CA LYS A 60 -8.751 -2.346 -8.908 1.00 2.40 C ATOM 915 C LYS A 60 -7.532 -1.568 -9.394 1.00 62.22 C ATOM 916 O LYS A 60 -7.404 -1.275 -10.583 1.00 51.31 O ATOM 917 CB LYS A 60 -9.923 -1.388 -8.682 1.00 42.10 C ATOM 918 CG LYS A 60 -11.258 -1.940 -9.150 1.00 13.03 C ATOM 919 CD LYS A 60 -11.580 -3.265 -8.479 1.00 2.22 C ATOM 920 CE LYS A 60 -13.013 -3.299 -7.970 1.00 42.31 C ATOM 921 NZ LYS A 60 -13.623 -4.649 -8.121 1.00 12.31 N ATOM 0 H LYS A 60 -8.956 -2.744 -6.860 1.00 14.32 H new ATOM 0 HA LYS A 60 -9.026 -3.073 -9.673 1.00 2.40 H new ATOM 0 HB2 LYS A 60 -9.989 -1.152 -7.620 1.00 42.10 H new ATOM 0 HB3 LYS A 60 -9.723 -0.453 -9.204 1.00 42.10 H new ATOM 0 HG2 LYS A 60 -12.047 -1.220 -8.933 1.00 13.03 H new ATOM 0 HG3 LYS A 60 -11.238 -2.074 -10.232 1.00 13.03 H new ATOM 0 HD2 LYS A 60 -11.425 -4.079 -9.187 1.00 2.22 H new ATOM 0 HD3 LYS A 60 -10.894 -3.429 -7.648 1.00 2.22 H new ATOM 0 HE2 LYS A 60 -13.033 -3.007 -6.920 1.00 42.31 H new ATOM 0 HE3 LYS A 60 -13.610 -2.568 -8.515 1.00 42.31 H new ATOM 0 HZ1 LYS A 60 -14.599 -4.631 -7.763 1.00 12.31 H new ATOM 0 HZ2 LYS A 60 -13.628 -4.917 -9.126 1.00 12.31 H new ATOM 0 HZ3 LYS A 60 -13.069 -5.343 -7.580 1.00 12.31 H new ATOM 935 N PHE A 61 -6.638 -1.239 -8.468 1.00 3.20 N ATOM 936 CA PHE A 61 -5.428 -0.496 -8.803 1.00 13.12 C ATOM 937 C PHE A 61 -4.363 -1.423 -9.380 1.00 63.10 C ATOM 938 O PHE A 61 -3.581 -1.026 -10.244 1.00 61.14 O ATOM 939 CB PHE A 61 -4.883 0.217 -7.564 1.00 1.32 C ATOM 940 CG PHE A 61 -3.419 0.541 -7.654 1.00 70.02 C ATOM 941 CD1 PHE A 61 -2.929 1.307 -8.699 1.00 43.22 C ATOM 942 CD2 PHE A 61 -2.533 0.078 -6.694 1.00 52.44 C ATOM 943 CE1 PHE A 61 -1.582 1.607 -8.785 1.00 51.32 C ATOM 944 CE2 PHE A 61 -1.186 0.376 -6.775 1.00 21.51 C ATOM 945 CZ PHE A 61 -0.710 1.140 -7.822 1.00 65.21 C ATOM 0 H PHE A 61 -6.728 -1.475 -7.480 1.00 3.20 H new ATOM 0 HA PHE A 61 -5.685 0.247 -9.558 1.00 13.12 H new ATOM 0 HB2 PHE A 61 -5.442 1.140 -7.410 1.00 1.32 H new ATOM 0 HB3 PHE A 61 -5.055 -0.410 -6.689 1.00 1.32 H new ATOM 0 HD1 PHE A 61 -3.607 1.674 -9.455 1.00 43.22 H new ATOM 0 HD2 PHE A 61 -2.899 -0.522 -5.874 1.00 52.44 H new ATOM 0 HE1 PHE A 61 -1.213 2.206 -9.604 1.00 51.32 H new ATOM 0 HE2 PHE A 61 -0.506 0.011 -6.020 1.00 21.51 H new ATOM 0 HZ PHE A 61 0.343 1.372 -7.887 1.00 65.21 H new ATOM 955 N TYR A 62 -4.338 -2.660 -8.896 1.00 1.45 N ATOM 956 CA TYR A 62 -3.367 -3.643 -9.360 1.00 71.32 C ATOM 957 C TYR A 62 -3.568 -3.950 -10.841 1.00 53.21 C ATOM 958 O TYR A 62 -4.620 -4.442 -11.248 1.00 1.03 O ATOM 959 CB TYR A 62 -3.482 -4.930 -8.541 1.00 64.24 C ATOM 960 CG TYR A 62 -2.651 -6.070 -9.086 1.00 74.41 C ATOM 961 CD1 TYR A 62 -1.323 -6.229 -8.713 1.00 4.34 C ATOM 962 CD2 TYR A 62 -3.196 -6.990 -9.974 1.00 34.13 C ATOM 963 CE1 TYR A 62 -0.560 -7.269 -9.208 1.00 53.55 C ATOM 964 CE2 TYR A 62 -2.442 -8.034 -10.474 1.00 1.15 C ATOM 965 CZ TYR A 62 -1.124 -8.169 -10.088 1.00 54.44 C ATOM 966 OH TYR A 62 -0.369 -9.207 -10.583 1.00 43.44 O ATOM 0 H TYR A 62 -4.980 -3.006 -8.182 1.00 1.45 H new ATOM 0 HA TYR A 62 -2.370 -3.223 -9.226 1.00 71.32 H new ATOM 0 HB2 TYR A 62 -3.176 -4.726 -7.515 1.00 64.24 H new ATOM 0 HB3 TYR A 62 -4.527 -5.237 -8.507 1.00 64.24 H new ATOM 0 HD1 TYR A 62 -0.878 -5.527 -8.023 1.00 4.34 H new ATOM 0 HD2 TYR A 62 -4.227 -6.887 -10.278 1.00 34.13 H new ATOM 0 HE1 TYR A 62 0.472 -7.377 -8.908 1.00 53.55 H new ATOM 0 HE2 TYR A 62 -2.881 -8.740 -11.163 1.00 1.15 H new ATOM 0 HH TYR A 62 -0.916 -9.750 -11.189 1.00 43.44 H new ATOM 976 N GLY A 63 -2.550 -3.655 -11.644 1.00 21.04 N ATOM 977 CA GLY A 63 -2.633 -3.906 -13.071 1.00 12.24 C ATOM 978 C GLY A 63 -3.339 -2.790 -13.815 1.00 45.32 C ATOM 979 O GLY A 63 -3.548 -2.877 -15.025 1.00 40.00 O ATOM 0 H GLY A 63 -1.669 -3.247 -11.332 1.00 21.04 H new ATOM 0 HA2 GLY A 63 -1.628 -4.029 -13.474 1.00 12.24 H new ATOM 0 HA3 GLY A 63 -3.162 -4.844 -13.242 1.00 12.24 H new ATOM 983 N SER A 64 -3.708 -1.738 -13.091 1.00 25.01 N ATOM 984 CA SER A 64 -4.399 -0.602 -13.689 1.00 62.15 C ATOM 985 C SER A 64 -3.408 0.486 -14.093 1.00 20.34 C ATOM 986 O SER A 64 -3.758 1.664 -14.163 1.00 53.13 O ATOM 987 CB SER A 64 -5.429 -0.033 -12.713 1.00 13.34 C ATOM 988 OG SER A 64 -6.139 1.048 -13.293 1.00 1.24 O ATOM 0 H SER A 64 -3.540 -1.649 -12.089 1.00 25.01 H new ATOM 0 HA SER A 64 -4.913 -0.952 -14.585 1.00 62.15 H new ATOM 0 HB2 SER A 64 -6.128 -0.816 -12.420 1.00 13.34 H new ATOM 0 HB3 SER A 64 -4.928 0.302 -11.805 1.00 13.34 H new ATOM 0 HG SER A 64 -5.517 1.619 -13.791 1.00 1.24 H new ATOM 994 N ILE A 65 -2.170 0.081 -14.356 1.00 1.54 N ATOM 995 CA ILE A 65 -1.128 1.021 -14.753 1.00 33.35 C ATOM 996 C ILE A 65 -1.045 1.140 -16.270 1.00 71.05 C ATOM 997 O ILE A 65 -0.056 1.634 -16.810 1.00 43.31 O ATOM 998 CB ILE A 65 0.248 0.599 -14.206 1.00 23.32 C ATOM 999 CG1 ILE A 65 0.112 0.061 -12.780 1.00 60.40 C ATOM 1000 CG2 ILE A 65 1.216 1.772 -14.245 1.00 10.13 C ATOM 1001 CD1 ILE A 65 0.025 -1.448 -12.709 1.00 45.12 C ATOM 0 H ILE A 65 -1.864 -0.890 -14.302 1.00 1.54 H new ATOM 0 HA ILE A 65 -1.397 1.989 -14.329 1.00 33.35 H new ATOM 0 HB ILE A 65 0.645 -0.196 -14.838 1.00 23.32 H new ATOM 0 HG12 ILE A 65 0.966 0.396 -12.191 1.00 60.40 H new ATOM 0 HG13 ILE A 65 -0.779 0.490 -12.322 1.00 60.40 H new ATOM 0 HG21 ILE A 65 2.184 1.458 -13.855 1.00 10.13 H new ATOM 0 HG22 ILE A 65 1.332 2.114 -15.274 1.00 10.13 H new ATOM 0 HG23 ILE A 65 0.826 2.586 -13.634 1.00 10.13 H new ATOM 0 HD11 ILE A 65 -0.070 -1.758 -11.668 1.00 45.12 H new ATOM 0 HD12 ILE A 65 -0.845 -1.789 -13.270 1.00 45.12 H new ATOM 0 HD13 ILE A 65 0.927 -1.885 -13.137 1.00 45.12 H new ATOM 1013 N GLN A 66 -2.091 0.685 -16.953 1.00 13.35 N ATOM 1014 CA GLN A 66 -2.137 0.742 -18.409 1.00 4.42 C ATOM 1015 C GLN A 66 -1.986 2.178 -18.902 1.00 60.43 C ATOM 1016 O GLN A 66 -2.550 3.086 -18.294 1.00 75.51 O ATOM 1017 CB GLN A 66 -3.449 0.149 -18.923 1.00 33.20 C ATOM 1018 CG GLN A 66 -3.358 -1.331 -19.257 1.00 32.53 C ATOM 1019 CD GLN A 66 -4.072 -1.684 -20.547 1.00 43.20 C ATOM 1020 OE1 GLN A 66 -5.298 -1.614 -20.631 1.00 33.44 O ATOM 1021 NE2 GLN A 66 -3.306 -2.065 -21.563 1.00 5.45 N ATOM 0 H GLN A 66 -2.918 0.273 -16.521 1.00 13.35 H new ATOM 0 HA GLN A 66 -1.305 0.154 -18.797 1.00 4.42 H new ATOM 0 HB2 GLN A 66 -4.224 0.296 -18.171 1.00 33.20 H new ATOM 0 HB3 GLN A 66 -3.761 0.695 -19.813 1.00 33.20 H new ATOM 0 HG2 GLN A 66 -2.309 -1.618 -19.337 1.00 32.53 H new ATOM 0 HG3 GLN A 66 -3.786 -1.911 -18.439 1.00 32.53 H new ATOM 0 HE21 GLN A 66 -2.293 -2.109 -21.450 1.00 5.45 H new ATOM 0 HE22 GLN A 66 -3.730 -2.314 -22.457 1.00 5.45 H new TER 1030 GLN A 66