USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 684 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 THR OG1 : rot -172:sc= 1.4 USER MOD Set 1.2: A 50 THR OG1 : rot -3:sc= 0.107 USER MOD Set 2.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -162:sc= -0.11 (180deg=-0.167) USER MOD Single : A 12 TYR OH : rot 180:sc= -1.04 USER MOD Single : A 14 ASN : amide:sc= -2.05! C(o=-2.1!,f=-3.2!) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0375 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -170:sc=-0.00297 (180deg=-0.114) USER MOD Single : A 24 ASN : amide:sc=-0.00851 X(o=-0.0085,f=-0.014) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS :FLIP no HD1:sc= 0 F(o=-0.99,f=0) USER MOD Single : A 28 CYS SG : rot -23:sc= -0.871 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -1.24 K(o=-1.2,f=-8.2!) USER MOD Single : A 37 GLN : amide:sc= -0.0392 K(o=-0.039,f=-1.7!) USER MOD Single : A 42 GLN : amide:sc= -0.463 K(o=-0.46,f=-3.4!) USER MOD Single : A 46 MET CE :methyl -119:sc= -0.713 (180deg=-2.06!) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.314 USER MOD Single : A 66 ASN : amide:sc= -4.37 K(o=-4.4,f=-13!) USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 169:sc= -0.0228 (180deg=-0.168) USER MOD Single : A 76 ASN : amide:sc= -0.121 K(o=-0.12,f=-1.8!) USER MOD Single : A 78 LYS NZ :NH3+ 171:sc= -0.357 (180deg=-0.441) USER MOD Single : A 79 THR OG1 : rot -34:sc= 0.815 USER MOD Single : A 80 MET CE :methyl -116:sc= -1.02 (180deg=-3.01!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.064 8.450 -26.170 1.00 0.00 N ATOM 2 CA GLY A 1 -11.169 8.923 -25.131 1.00 0.00 C ATOM 3 C GLY A 1 -11.737 8.722 -23.740 1.00 0.00 C ATOM 4 O GLY A 1 -12.850 9.160 -23.448 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.630 8.610 -27.101 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.240 7.433 -26.040 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.965 8.967 -26.114 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.216 8.399 -25.210 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.964 9.982 -25.287 1.00 0.00 H new ATOM 8 N SER A 2 -10.973 8.057 -22.880 1.00 0.00 N ATOM 9 CA SER A 2 -11.409 7.794 -21.514 1.00 0.00 C ATOM 10 C SER A 2 -11.455 9.084 -20.700 1.00 0.00 C ATOM 11 O SER A 2 -10.418 9.624 -20.315 1.00 0.00 O ATOM 12 CB SER A 2 -10.474 6.787 -20.842 1.00 0.00 C ATOM 13 OG SER A 2 -10.782 5.462 -21.239 1.00 0.00 O ATOM 0 H SER A 2 -10.048 7.690 -23.105 1.00 0.00 H new ATOM 0 HA SER A 2 -12.414 7.374 -21.555 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.440 7.017 -21.101 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.558 6.874 -19.759 1.00 0.00 H new ATOM 0 HG SER A 2 -10.169 4.837 -20.797 1.00 0.00 H new ATOM 19 N SER A 3 -12.664 9.571 -20.443 1.00 0.00 N ATOM 20 CA SER A 3 -12.847 10.800 -19.679 1.00 0.00 C ATOM 21 C SER A 3 -12.601 10.557 -18.193 1.00 0.00 C ATOM 22 O SER A 3 -11.873 11.305 -17.543 1.00 0.00 O ATOM 23 CB SER A 3 -14.258 11.352 -19.891 1.00 0.00 C ATOM 24 OG SER A 3 -14.482 11.671 -21.253 1.00 0.00 O ATOM 0 H SER A 3 -13.532 9.134 -20.752 1.00 0.00 H new ATOM 0 HA SER A 3 -12.122 11.532 -20.035 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.993 10.617 -19.561 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.400 12.242 -19.278 1.00 0.00 H new ATOM 0 HG SER A 3 -15.391 12.020 -21.362 1.00 0.00 H new ATOM 30 N GLY A 4 -13.215 9.503 -17.663 1.00 0.00 N ATOM 31 CA GLY A 4 -13.051 9.179 -16.258 1.00 0.00 C ATOM 32 C GLY A 4 -13.353 7.724 -15.959 1.00 0.00 C ATOM 33 O GLY A 4 -14.498 7.365 -15.683 1.00 0.00 O ATOM 0 H GLY A 4 -13.822 8.868 -18.181 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.029 9.405 -15.953 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.708 9.813 -15.663 1.00 0.00 H new ATOM 37 N SER A 5 -12.325 6.884 -16.016 1.00 0.00 N ATOM 38 CA SER A 5 -12.486 5.459 -15.755 1.00 0.00 C ATOM 39 C SER A 5 -11.808 5.066 -14.446 1.00 0.00 C ATOM 40 O SER A 5 -10.706 5.523 -14.143 1.00 0.00 O ATOM 41 CB SER A 5 -11.907 4.638 -16.909 1.00 0.00 C ATOM 42 OG SER A 5 -12.482 5.021 -18.146 1.00 0.00 O ATOM 0 H SER A 5 -11.371 7.166 -16.241 1.00 0.00 H new ATOM 0 HA SER A 5 -13.552 5.249 -15.669 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.826 4.773 -16.949 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.089 3.578 -16.732 1.00 0.00 H new ATOM 0 HG SER A 5 -12.094 4.483 -18.868 1.00 0.00 H new ATOM 48 N SER A 6 -12.476 4.214 -13.674 1.00 0.00 N ATOM 49 CA SER A 6 -11.941 3.762 -12.395 1.00 0.00 C ATOM 50 C SER A 6 -11.258 2.406 -12.541 1.00 0.00 C ATOM 51 O SER A 6 -11.918 1.377 -12.680 1.00 0.00 O ATOM 52 CB SER A 6 -13.058 3.673 -11.353 1.00 0.00 C ATOM 53 OG SER A 6 -13.474 4.963 -10.941 1.00 0.00 O ATOM 0 H SER A 6 -13.388 3.823 -13.912 1.00 0.00 H new ATOM 0 HA SER A 6 -11.200 4.489 -12.062 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.906 3.130 -11.770 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.710 3.106 -10.489 1.00 0.00 H new ATOM 0 HG SER A 6 -14.189 4.879 -10.276 1.00 0.00 H new ATOM 59 N GLY A 7 -9.928 2.413 -12.510 1.00 0.00 N ATOM 60 CA GLY A 7 -9.176 1.178 -12.640 1.00 0.00 C ATOM 61 C GLY A 7 -8.433 0.815 -11.370 1.00 0.00 C ATOM 62 O GLY A 7 -8.491 -0.326 -10.914 1.00 0.00 O ATOM 0 H GLY A 7 -9.358 3.252 -12.397 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.856 0.368 -12.903 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.463 1.275 -13.459 1.00 0.00 H new ATOM 66 N MET A 8 -7.731 1.788 -10.798 1.00 0.00 N ATOM 67 CA MET A 8 -6.973 1.564 -9.573 1.00 0.00 C ATOM 68 C MET A 8 -7.897 1.167 -8.426 1.00 0.00 C ATOM 69 O MET A 8 -7.946 0.002 -8.031 1.00 0.00 O ATOM 70 CB MET A 8 -6.186 2.822 -9.197 1.00 0.00 C ATOM 71 CG MET A 8 -4.769 2.838 -9.745 1.00 0.00 C ATOM 72 SD MET A 8 -4.143 4.509 -10.003 1.00 0.00 S ATOM 73 CE MET A 8 -2.669 4.480 -8.987 1.00 0.00 C ATOM 0 H MET A 8 -7.672 2.739 -11.163 1.00 0.00 H new ATOM 0 HA MET A 8 -6.274 0.747 -9.753 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.719 3.698 -9.566 1.00 0.00 H new ATOM 0 HB3 MET A 8 -6.148 2.906 -8.111 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.111 2.310 -9.055 1.00 0.00 H new ATOM 0 HG3 MET A 8 -4.743 2.294 -10.689 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.349 5.501 -8.781 1.00 0.00 H new ATOM 0 HE2 MET A 8 -2.885 3.971 -8.047 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.875 3.950 -9.513 1.00 0.00 H new ATOM 83 N ILE A 9 -8.628 2.143 -7.897 1.00 0.00 N ATOM 84 CA ILE A 9 -9.551 1.894 -6.796 1.00 0.00 C ATOM 85 C ILE A 9 -10.503 0.749 -7.125 1.00 0.00 C ATOM 86 O ILE A 9 -10.663 -0.184 -6.339 1.00 0.00 O ATOM 87 CB ILE A 9 -10.374 3.150 -6.457 1.00 0.00 C ATOM 88 CG1 ILE A 9 -9.451 4.290 -6.024 1.00 0.00 C ATOM 89 CG2 ILE A 9 -11.389 2.840 -5.366 1.00 0.00 C ATOM 90 CD1 ILE A 9 -8.972 5.149 -7.174 1.00 0.00 C ATOM 0 H ILE A 9 -8.599 3.112 -8.213 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.945 1.622 -5.931 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.914 3.464 -7.350 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.976 4.919 -5.305 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.586 3.871 -5.509 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.963 3.738 -5.137 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.064 2.055 -5.709 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.868 2.504 -4.469 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.322 5.937 -6.793 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.419 4.533 -7.883 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.830 5.597 -7.676 1.00 0.00 H new ATOM 102 N ALA A 10 -11.131 0.827 -8.294 1.00 0.00 N ATOM 103 CA ALA A 10 -12.065 -0.205 -8.729 1.00 0.00 C ATOM 104 C ALA A 10 -11.480 -1.597 -8.522 1.00 0.00 C ATOM 105 O ALA A 10 -12.100 -2.454 -7.894 1.00 0.00 O ATOM 106 CB ALA A 10 -12.436 0.002 -10.190 1.00 0.00 C ATOM 0 H ALA A 10 -11.010 1.593 -8.956 1.00 0.00 H new ATOM 0 HA ALA A 10 -12.966 -0.125 -8.121 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -13.134 -0.775 -10.502 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.903 0.979 -10.312 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.537 -0.050 -10.804 1.00 0.00 H new ATOM 112 N ALA A 11 -10.282 -1.816 -9.056 1.00 0.00 N ATOM 113 CA ALA A 11 -9.613 -3.105 -8.928 1.00 0.00 C ATOM 114 C ALA A 11 -9.221 -3.379 -7.480 1.00 0.00 C ATOM 115 O ALA A 11 -9.698 -4.334 -6.867 1.00 0.00 O ATOM 116 CB ALA A 11 -8.387 -3.154 -9.827 1.00 0.00 C ATOM 0 H ALA A 11 -9.756 -1.118 -9.581 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.311 -3.882 -9.241 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.897 -4.122 -9.722 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.690 -3.012 -10.864 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.694 -2.363 -9.540 1.00 0.00 H new ATOM 122 N TYR A 12 -8.349 -2.536 -6.939 1.00 0.00 N ATOM 123 CA TYR A 12 -7.890 -2.689 -5.563 1.00 0.00 C ATOM 124 C TYR A 12 -9.054 -3.024 -4.635 1.00 0.00 C ATOM 125 O TYR A 12 -8.907 -3.802 -3.694 1.00 0.00 O ATOM 126 CB TYR A 12 -7.197 -1.411 -5.089 1.00 0.00 C ATOM 127 CG TYR A 12 -5.874 -1.150 -5.774 1.00 0.00 C ATOM 128 CD1 TYR A 12 -4.933 -2.162 -5.920 1.00 0.00 C ATOM 129 CD2 TYR A 12 -5.566 0.109 -6.277 1.00 0.00 C ATOM 130 CE1 TYR A 12 -3.724 -1.927 -6.545 1.00 0.00 C ATOM 131 CE2 TYR A 12 -4.360 0.352 -6.904 1.00 0.00 C ATOM 132 CZ TYR A 12 -3.442 -0.669 -7.035 1.00 0.00 C ATOM 133 OH TYR A 12 -2.238 -0.432 -7.659 1.00 0.00 O ATOM 0 H TYR A 12 -7.945 -1.739 -7.432 1.00 0.00 H new ATOM 0 HA TYR A 12 -7.177 -3.513 -5.534 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.860 -0.563 -5.262 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -7.033 -1.474 -4.013 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -5.151 -3.149 -5.538 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -6.282 0.911 -6.176 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.003 -2.724 -6.650 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.137 1.336 -7.290 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.197 0.504 -7.947 1.00 0.00 H new ATOM 143 N GLU A 13 -10.211 -2.429 -4.909 1.00 0.00 N ATOM 144 CA GLU A 13 -11.401 -2.663 -4.099 1.00 0.00 C ATOM 145 C GLU A 13 -11.995 -4.038 -4.390 1.00 0.00 C ATOM 146 O GLU A 13 -12.320 -4.792 -3.475 1.00 0.00 O ATOM 147 CB GLU A 13 -12.446 -1.577 -4.361 1.00 0.00 C ATOM 148 CG GLU A 13 -13.363 -1.317 -3.178 1.00 0.00 C ATOM 149 CD GLU A 13 -12.822 -0.254 -2.242 1.00 0.00 C ATOM 150 OE1 GLU A 13 -11.586 -0.178 -2.083 1.00 0.00 O ATOM 151 OE2 GLU A 13 -13.634 0.503 -1.670 1.00 0.00 O ATOM 0 H GLU A 13 -10.349 -1.782 -5.685 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.108 -2.628 -3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.936 -0.650 -4.625 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.050 -1.866 -5.221 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.343 -1.009 -3.544 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.507 -2.245 -2.624 1.00 0.00 H new ATOM 158 N ASN A 14 -12.136 -4.355 -5.674 1.00 0.00 N ATOM 159 CA ASN A 14 -12.693 -5.638 -6.087 1.00 0.00 C ATOM 160 C ASN A 14 -11.868 -6.794 -5.530 1.00 0.00 C ATOM 161 O ASN A 14 -12.415 -7.792 -5.062 1.00 0.00 O ATOM 162 CB ASN A 14 -12.748 -5.725 -7.614 1.00 0.00 C ATOM 163 CG ASN A 14 -12.732 -7.157 -8.112 1.00 0.00 C ATOM 164 OD1 ASN A 14 -13.095 -8.083 -7.386 1.00 0.00 O ATOM 165 ND2 ASN A 14 -12.308 -7.346 -9.357 1.00 0.00 N ATOM 0 H ASN A 14 -11.872 -3.741 -6.445 1.00 0.00 H new ATOM 0 HA ASN A 14 -13.705 -5.712 -5.688 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -13.650 -5.229 -7.971 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.900 -5.187 -8.037 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -12.274 -8.288 -9.747 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -12.017 -6.549 -9.923 1.00 0.00 H new ATOM 172 N SER A 15 -10.547 -6.652 -5.584 1.00 0.00 N ATOM 173 CA SER A 15 -9.646 -7.685 -5.088 1.00 0.00 C ATOM 174 C SER A 15 -9.732 -7.798 -3.569 1.00 0.00 C ATOM 175 O SER A 15 -10.532 -7.115 -2.928 1.00 0.00 O ATOM 176 CB SER A 15 -8.206 -7.380 -5.507 1.00 0.00 C ATOM 177 OG SER A 15 -7.361 -8.493 -5.273 1.00 0.00 O ATOM 0 H SER A 15 -10.077 -5.831 -5.966 1.00 0.00 H new ATOM 0 HA SER A 15 -9.950 -8.637 -5.524 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.180 -7.115 -6.564 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.838 -6.517 -4.953 1.00 0.00 H new ATOM 0 HG SER A 15 -6.447 -8.274 -5.550 1.00 0.00 H new ATOM 183 N LYS A 16 -8.903 -8.665 -2.998 1.00 0.00 N ATOM 184 CA LYS A 16 -8.883 -8.869 -1.555 1.00 0.00 C ATOM 185 C LYS A 16 -7.470 -9.178 -1.069 1.00 0.00 C ATOM 186 O LYS A 16 -6.558 -9.380 -1.871 1.00 0.00 O ATOM 187 CB LYS A 16 -9.828 -10.007 -1.166 1.00 0.00 C ATOM 188 CG LYS A 16 -9.528 -11.316 -1.876 1.00 0.00 C ATOM 189 CD LYS A 16 -10.122 -11.341 -3.274 1.00 0.00 C ATOM 190 CE LYS A 16 -10.022 -12.725 -3.898 1.00 0.00 C ATOM 191 NZ LYS A 16 -11.080 -13.641 -3.389 1.00 0.00 N ATOM 0 H LYS A 16 -8.235 -9.238 -3.514 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.219 -7.948 -1.079 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.769 -10.165 -0.089 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.853 -9.709 -1.388 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.449 -11.460 -1.936 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.929 -12.146 -1.295 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.167 -11.034 -3.232 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.603 -10.618 -3.904 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.105 -12.642 -4.982 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.041 -13.149 -3.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.977 -14.573 -3.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.986 -13.741 -2.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.017 -13.249 -3.615 1.00 0.00 H new ATOM 205 N TRP A 17 -7.298 -9.216 0.247 1.00 0.00 N ATOM 206 CA TRP A 17 -5.996 -9.503 0.839 1.00 0.00 C ATOM 207 C TRP A 17 -5.274 -10.598 0.062 1.00 0.00 C ATOM 208 O TRP A 17 -5.907 -11.447 -0.564 1.00 0.00 O ATOM 209 CB TRP A 17 -6.159 -9.921 2.302 1.00 0.00 C ATOM 210 CG TRP A 17 -4.860 -10.001 3.045 1.00 0.00 C ATOM 211 CD1 TRP A 17 -4.241 -8.991 3.725 1.00 0.00 C ATOM 212 CD2 TRP A 17 -4.019 -11.152 3.180 1.00 0.00 C ATOM 213 NE1 TRP A 17 -3.067 -9.444 4.276 1.00 0.00 N ATOM 214 CE2 TRP A 17 -2.908 -10.767 3.957 1.00 0.00 C ATOM 215 CE3 TRP A 17 -4.097 -12.470 2.724 1.00 0.00 C ATOM 216 CZ2 TRP A 17 -1.886 -11.654 4.283 1.00 0.00 C ATOM 217 CZ3 TRP A 17 -3.082 -13.349 3.049 1.00 0.00 C ATOM 218 CH2 TRP A 17 -1.988 -12.938 3.823 1.00 0.00 C ATOM 0 H TRP A 17 -8.043 -9.052 0.924 1.00 0.00 H new ATOM 0 HA TRP A 17 -5.395 -8.595 0.793 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -6.814 -9.209 2.805 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -6.653 -10.892 2.342 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -4.619 -7.984 3.816 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -2.419 -8.886 4.832 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.936 -12.796 2.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -1.042 -11.339 4.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -3.132 -14.370 2.701 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -1.211 -13.649 4.061 1.00 0.00 H new ATOM 229 N GLU A 18 -3.945 -10.572 0.107 1.00 0.00 N ATOM 230 CA GLU A 18 -3.139 -11.564 -0.595 1.00 0.00 C ATOM 231 C GLU A 18 -1.747 -11.668 0.021 1.00 0.00 C ATOM 232 O GLU A 18 -1.110 -10.667 0.350 1.00 0.00 O ATOM 233 CB GLU A 18 -3.026 -11.205 -2.078 1.00 0.00 C ATOM 234 CG GLU A 18 -2.257 -12.230 -2.896 1.00 0.00 C ATOM 235 CD GLU A 18 -3.139 -13.357 -3.395 1.00 0.00 C ATOM 236 OE1 GLU A 18 -4.176 -13.629 -2.755 1.00 0.00 O ATOM 237 OE2 GLU A 18 -2.792 -13.968 -4.428 1.00 0.00 O ATOM 0 H GLU A 18 -3.405 -9.876 0.621 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.634 -12.530 -0.499 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.028 -11.098 -2.494 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.536 -10.236 -2.172 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.791 -11.734 -3.747 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.452 -12.645 -2.289 1.00 0.00 H new ATOM 244 N PRO A 19 -1.263 -12.908 0.183 1.00 0.00 N ATOM 245 CA PRO A 19 0.058 -13.174 0.761 1.00 0.00 C ATOM 246 C PRO A 19 1.192 -12.746 -0.164 1.00 0.00 C ATOM 247 O PRO A 19 1.538 -13.457 -1.108 1.00 0.00 O ATOM 248 CB PRO A 19 0.064 -14.693 0.948 1.00 0.00 C ATOM 249 CG PRO A 19 -0.904 -15.203 -0.062 1.00 0.00 C ATOM 250 CD PRO A 19 -1.968 -14.147 -0.187 1.00 0.00 C ATOM 0 HA PRO A 19 0.219 -12.617 1.684 1.00 0.00 H new ATOM 0 HB2 PRO A 19 1.059 -15.108 0.787 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.237 -14.969 1.959 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.413 -15.378 -1.019 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.333 -16.154 0.254 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.366 -14.096 -1.200 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.810 -14.344 0.477 1.00 0.00 H new ATOM 258 N VAL A 20 1.768 -11.581 0.112 1.00 0.00 N ATOM 259 CA VAL A 20 2.865 -11.059 -0.695 1.00 0.00 C ATOM 260 C VAL A 20 3.992 -10.531 0.186 1.00 0.00 C ATOM 261 O VAL A 20 3.764 -9.726 1.089 1.00 0.00 O ATOM 262 CB VAL A 20 2.387 -9.932 -1.629 1.00 0.00 C ATOM 263 CG1 VAL A 20 1.719 -8.823 -0.831 1.00 0.00 C ATOM 264 CG2 VAL A 20 3.551 -9.388 -2.444 1.00 0.00 C ATOM 0 H VAL A 20 1.493 -10.980 0.889 1.00 0.00 H new ATOM 0 HA VAL A 20 3.237 -11.887 -1.298 1.00 0.00 H new ATOM 0 HB VAL A 20 1.650 -10.343 -2.319 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.388 -8.036 -1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.859 -9.227 -0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.430 -8.410 -0.115 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.196 -8.592 -3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.312 -8.992 -1.772 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.980 -10.189 -3.046 1.00 0.00 H new ATOM 274 N LYS A 21 5.210 -10.989 -0.084 1.00 0.00 N ATOM 275 CA LYS A 21 6.375 -10.562 0.682 1.00 0.00 C ATOM 276 C LYS A 21 6.854 -9.188 0.223 1.00 0.00 C ATOM 277 O LYS A 21 7.302 -9.024 -0.912 1.00 0.00 O ATOM 278 CB LYS A 21 7.507 -11.582 0.539 1.00 0.00 C ATOM 279 CG LYS A 21 8.779 -11.185 1.266 1.00 0.00 C ATOM 280 CD LYS A 21 8.718 -11.554 2.739 1.00 0.00 C ATOM 281 CE LYS A 21 9.985 -11.139 3.471 1.00 0.00 C ATOM 282 NZ LYS A 21 11.176 -11.891 2.988 1.00 0.00 N ATOM 0 H LYS A 21 5.416 -11.656 -0.828 1.00 0.00 H new ATOM 0 HA LYS A 21 6.085 -10.495 1.730 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.167 -12.545 0.919 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.731 -11.718 -0.519 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.633 -11.678 0.802 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.937 -10.111 1.165 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.856 -11.072 3.200 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.574 -12.630 2.840 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.150 -10.070 3.334 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.858 -11.307 4.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.982 -11.707 3.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.965 -12.909 2.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.414 -11.582 2.024 1.00 0.00 H new ATOM 296 N TRP A 22 6.757 -8.206 1.112 1.00 0.00 N ATOM 297 CA TRP A 22 7.182 -6.847 0.798 1.00 0.00 C ATOM 298 C TRP A 22 8.694 -6.702 0.941 1.00 0.00 C ATOM 299 O TRP A 22 9.254 -6.975 2.001 1.00 0.00 O ATOM 300 CB TRP A 22 6.474 -5.845 1.711 1.00 0.00 C ATOM 301 CG TRP A 22 4.987 -5.815 1.520 1.00 0.00 C ATOM 302 CD1 TRP A 22 4.036 -6.148 2.440 1.00 0.00 C ATOM 303 CD2 TRP A 22 4.284 -5.432 0.333 1.00 0.00 C ATOM 304 NE1 TRP A 22 2.783 -5.996 1.897 1.00 0.00 N ATOM 305 CE2 TRP A 22 2.908 -5.557 0.606 1.00 0.00 C ATOM 306 CE3 TRP A 22 4.683 -4.994 -0.933 1.00 0.00 C ATOM 307 CZ2 TRP A 22 1.931 -5.260 -0.342 1.00 0.00 C ATOM 308 CZ3 TRP A 22 3.712 -4.701 -1.872 1.00 0.00 C ATOM 309 CH2 TRP A 22 2.350 -4.834 -1.573 1.00 0.00 C ATOM 0 H TRP A 22 6.388 -8.325 2.055 1.00 0.00 H new ATOM 0 HA TRP A 22 6.912 -6.639 -0.237 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.695 -6.092 2.750 1.00 0.00 H new ATOM 0 HB3 TRP A 22 6.877 -4.849 1.527 1.00 0.00 H new ATOM 0 HD1 TRP A 22 4.238 -6.482 3.447 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.902 -6.180 2.378 1.00 0.00 H new ATOM 0 HE3 TRP A 22 5.730 -4.887 -1.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 0.880 -5.362 -0.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.009 -4.363 -2.854 1.00 0.00 H new ATOM 0 HH2 TRP A 22 1.616 -4.596 -2.329 1.00 0.00 H new ATOM 320 N GLU A 23 9.347 -6.272 -0.134 1.00 0.00 N ATOM 321 CA GLU A 23 10.794 -6.092 -0.127 1.00 0.00 C ATOM 322 C GLU A 23 11.158 -4.611 -0.096 1.00 0.00 C ATOM 323 O GLU A 23 10.351 -3.755 -0.457 1.00 0.00 O ATOM 324 CB GLU A 23 11.419 -6.757 -1.356 1.00 0.00 C ATOM 325 CG GLU A 23 11.271 -8.269 -1.371 1.00 0.00 C ATOM 326 CD GLU A 23 12.218 -8.958 -0.407 1.00 0.00 C ATOM 327 OE1 GLU A 23 13.435 -8.685 -0.476 1.00 0.00 O ATOM 328 OE2 GLU A 23 11.744 -9.769 0.415 1.00 0.00 O ATOM 0 H GLU A 23 8.897 -6.042 -1.020 1.00 0.00 H new ATOM 0 HA GLU A 23 11.189 -6.564 0.773 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.958 -6.346 -2.255 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.478 -6.504 -1.397 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.244 -8.532 -1.116 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.454 -8.638 -2.380 1.00 0.00 H new ATOM 335 N ASN A 24 12.379 -4.317 0.338 1.00 0.00 N ATOM 336 CA ASN A 24 12.851 -2.939 0.417 1.00 0.00 C ATOM 337 C ASN A 24 12.838 -2.280 -0.958 1.00 0.00 C ATOM 338 O ASN A 24 12.990 -2.949 -1.981 1.00 0.00 O ATOM 339 CB ASN A 24 14.264 -2.895 1.003 1.00 0.00 C ATOM 340 CG ASN A 24 14.327 -3.471 2.404 1.00 0.00 C ATOM 341 OD1 ASN A 24 14.622 -4.651 2.589 1.00 0.00 O ATOM 342 ND2 ASN A 24 14.049 -2.637 3.400 1.00 0.00 N ATOM 0 H ASN A 24 13.060 -5.014 0.640 1.00 0.00 H new ATOM 0 HA ASN A 24 12.176 -2.387 1.071 1.00 0.00 H new ATOM 0 HB2 ASN A 24 14.941 -3.450 0.354 1.00 0.00 H new ATOM 0 HB3 ASN A 24 14.615 -1.863 1.021 1.00 0.00 H new ATOM 0 HD21 ASN A 24 14.075 -2.968 4.365 1.00 0.00 H new ATOM 0 HD22 ASN A 24 13.809 -1.666 3.200 1.00 0.00 H new ATOM 349 N ASP A 25 12.656 -0.964 -0.976 1.00 0.00 N ATOM 350 CA ASP A 25 12.624 -0.213 -2.225 1.00 0.00 C ATOM 351 C ASP A 25 11.589 -0.794 -3.183 1.00 0.00 C ATOM 352 O ASP A 25 11.893 -1.080 -4.341 1.00 0.00 O ATOM 353 CB ASP A 25 14.005 -0.217 -2.883 1.00 0.00 C ATOM 354 CG ASP A 25 14.988 0.693 -2.171 1.00 0.00 C ATOM 355 OD1 ASP A 25 14.924 1.920 -2.390 1.00 0.00 O ATOM 356 OD2 ASP A 25 15.822 0.177 -1.398 1.00 0.00 O ATOM 0 H ASP A 25 12.528 -0.395 -0.139 1.00 0.00 H new ATOM 0 HA ASP A 25 12.343 0.815 -1.995 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.397 -1.234 -2.892 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.910 0.098 -3.922 1.00 0.00 H new ATOM 361 N MET A 26 10.367 -0.967 -2.691 1.00 0.00 N ATOM 362 CA MET A 26 9.287 -1.515 -3.504 1.00 0.00 C ATOM 363 C MET A 26 8.135 -0.522 -3.618 1.00 0.00 C ATOM 364 O MET A 26 8.078 0.465 -2.884 1.00 0.00 O ATOM 365 CB MET A 26 8.785 -2.830 -2.905 1.00 0.00 C ATOM 366 CG MET A 26 9.523 -4.055 -3.422 1.00 0.00 C ATOM 367 SD MET A 26 8.940 -4.584 -5.044 1.00 0.00 S ATOM 368 CE MET A 26 7.534 -5.594 -4.585 1.00 0.00 C ATOM 0 H MET A 26 10.100 -0.736 -1.734 1.00 0.00 H new ATOM 0 HA MET A 26 9.679 -1.706 -4.503 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.885 -2.787 -1.820 1.00 0.00 H new ATOM 0 HB3 MET A 26 7.723 -2.937 -3.124 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.589 -3.835 -3.477 1.00 0.00 H new ATOM 0 HG3 MET A 26 9.402 -4.873 -2.712 1.00 0.00 H new ATOM 0 HE1 MET A 26 7.065 -5.995 -5.484 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.868 -6.416 -3.952 1.00 0.00 H new ATOM 0 HE3 MET A 26 6.812 -4.986 -4.039 1.00 0.00 H new ATOM 378 N HIS A 27 7.218 -0.789 -4.543 1.00 0.00 N ATOM 379 CA HIS A 27 6.067 0.081 -4.752 1.00 0.00 C ATOM 380 C HIS A 27 4.764 -0.669 -4.493 1.00 0.00 C ATOM 381 O HIS A 27 4.569 -1.782 -4.982 1.00 0.00 O ATOM 382 CB HIS A 27 6.073 0.637 -6.177 1.00 0.00 C ATOM 383 CG HIS A 27 7.113 1.692 -6.403 1.00 0.00 C ATOM 384 ND1 HIS A 27 8.217 2.014 -5.690 1.00 0.00 N flip ATOM 385 CD2 HIS A 27 7.081 2.562 -7.472 1.00 0.00 C flip ATOM 386 CE1 HIS A 27 8.827 3.062 -6.335 1.00 0.00 C flip ATOM 387 NE2 HIS A 27 8.122 3.373 -7.408 1.00 0.00 N flip ATOM 0 H HIS A 27 7.250 -1.601 -5.159 1.00 0.00 H new ATOM 0 HA HIS A 27 6.136 0.909 -4.046 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.239 -0.182 -6.877 1.00 0.00 H new ATOM 0 HB3 HIS A 27 5.091 1.053 -6.400 1.00 0.00 H new ATOM 0 HD2 HIS A 27 6.323 2.578 -8.241 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.735 3.552 -6.017 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.344 4.113 -8.074 1.00 0.00 H new ATOM 395 N CYS A 28 3.877 -0.053 -3.719 1.00 0.00 N ATOM 396 CA CYS A 28 2.593 -0.664 -3.393 1.00 0.00 C ATOM 397 C CYS A 28 1.532 0.403 -3.142 1.00 0.00 C ATOM 398 O CYS A 28 1.849 1.578 -2.966 1.00 0.00 O ATOM 399 CB CYS A 28 2.730 -1.564 -2.164 1.00 0.00 C ATOM 400 SG CYS A 28 3.301 -0.704 -0.680 1.00 0.00 S ATOM 0 H CYS A 28 4.023 0.868 -3.306 1.00 0.00 H new ATOM 0 HA CYS A 28 2.280 -1.269 -4.244 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.765 -2.025 -1.955 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.426 -2.371 -2.394 1.00 0.00 H new ATOM 0 HG CYS A 28 3.944 0.373 -1.023 1.00 0.00 H new ATOM 406 N ALA A 29 0.271 -0.017 -3.128 1.00 0.00 N ATOM 407 CA ALA A 29 -0.837 0.902 -2.898 1.00 0.00 C ATOM 408 C ALA A 29 -1.388 0.755 -1.484 1.00 0.00 C ATOM 409 O ALA A 29 -1.957 -0.278 -1.133 1.00 0.00 O ATOM 410 CB ALA A 29 -1.938 0.669 -3.922 1.00 0.00 C ATOM 0 H ALA A 29 -0.008 -0.987 -3.273 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.461 1.919 -3.010 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.759 1.362 -3.738 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.543 0.832 -4.925 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.302 -0.355 -3.838 1.00 0.00 H new ATOM 416 N VAL A 30 -1.214 1.795 -0.675 1.00 0.00 N ATOM 417 CA VAL A 30 -1.694 1.782 0.702 1.00 0.00 C ATOM 418 C VAL A 30 -3.054 2.461 0.816 1.00 0.00 C ATOM 419 O VAL A 30 -3.303 3.488 0.185 1.00 0.00 O ATOM 420 CB VAL A 30 -0.702 2.482 1.649 1.00 0.00 C ATOM 421 CG1 VAL A 30 -0.425 3.902 1.178 1.00 0.00 C ATOM 422 CG2 VAL A 30 -1.234 2.479 3.074 1.00 0.00 C ATOM 0 H VAL A 30 -0.744 2.658 -0.949 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.787 0.736 0.995 1.00 0.00 H new ATOM 0 HB VAL A 30 0.238 1.930 1.635 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.278 4.381 1.860 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.002 3.876 0.175 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.356 4.468 1.161 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.520 2.978 3.730 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.187 3.006 3.108 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.376 1.451 3.407 1.00 0.00 H new ATOM 432 N LYS A 31 -3.933 1.880 1.626 1.00 0.00 N ATOM 433 CA LYS A 31 -5.269 2.428 1.826 1.00 0.00 C ATOM 434 C LYS A 31 -5.335 3.244 3.113 1.00 0.00 C ATOM 435 O LYS A 31 -4.870 2.801 4.164 1.00 0.00 O ATOM 436 CB LYS A 31 -6.304 1.302 1.870 1.00 0.00 C ATOM 437 CG LYS A 31 -7.738 1.796 1.958 1.00 0.00 C ATOM 438 CD LYS A 31 -8.718 0.643 2.090 1.00 0.00 C ATOM 439 CE LYS A 31 -8.707 0.061 3.496 1.00 0.00 C ATOM 440 NZ LYS A 31 -9.645 -1.088 3.627 1.00 0.00 N ATOM 0 H LYS A 31 -3.743 1.029 2.155 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.494 3.086 0.987 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.195 0.685 0.978 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.096 0.662 2.727 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.842 2.463 2.814 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.978 2.379 1.069 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.723 0.988 1.846 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.465 -0.136 1.371 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.697 -0.264 3.747 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.980 0.836 4.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.609 -1.457 4.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.612 -0.773 3.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.370 -1.838 2.962 1.00 0.00 H new ATOM 454 N ILE A 32 -5.917 4.435 3.025 1.00 0.00 N ATOM 455 CA ILE A 32 -6.046 5.310 4.183 1.00 0.00 C ATOM 456 C ILE A 32 -7.218 4.889 5.063 1.00 0.00 C ATOM 457 O ILE A 32 -8.240 4.416 4.566 1.00 0.00 O ATOM 458 CB ILE A 32 -6.238 6.779 3.761 1.00 0.00 C ATOM 459 CG1 ILE A 32 -5.167 7.185 2.747 1.00 0.00 C ATOM 460 CG2 ILE A 32 -6.195 7.690 4.978 1.00 0.00 C ATOM 461 CD1 ILE A 32 -5.563 8.366 1.889 1.00 0.00 C ATOM 0 H ILE A 32 -6.307 4.816 2.163 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.119 5.221 4.749 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.215 6.881 3.290 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.247 7.426 3.279 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.949 6.334 2.101 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.332 8.724 4.663 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.991 7.412 5.669 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.231 7.587 5.476 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.756 8.598 1.194 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.466 8.122 1.329 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.753 9.230 2.525 1.00 0.00 H new ATOM 473 N GLN A 33 -7.063 5.065 6.371 1.00 0.00 N ATOM 474 CA GLN A 33 -8.109 4.703 7.320 1.00 0.00 C ATOM 475 C GLN A 33 -9.036 5.885 7.584 1.00 0.00 C ATOM 476 O GLN A 33 -10.251 5.720 7.700 1.00 0.00 O ATOM 477 CB GLN A 33 -7.492 4.221 8.633 1.00 0.00 C ATOM 478 CG GLN A 33 -6.552 5.231 9.271 1.00 0.00 C ATOM 479 CD GLN A 33 -6.008 4.761 10.606 1.00 0.00 C ATOM 480 OE1 GLN A 33 -5.949 3.562 10.878 1.00 0.00 O ATOM 481 NE2 GLN A 33 -5.607 5.707 11.448 1.00 0.00 N ATOM 0 H GLN A 33 -6.223 5.456 6.798 1.00 0.00 H new ATOM 0 HA GLN A 33 -8.695 3.894 6.885 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.291 3.987 9.336 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -6.947 3.295 8.450 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.721 5.427 8.593 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.079 6.175 9.410 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -5.674 6.689 11.181 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -5.232 5.451 12.361 1.00 0.00 H new ATOM 490 N ASP A 34 -8.456 7.076 7.678 1.00 0.00 N ATOM 491 CA ASP A 34 -9.230 8.286 7.928 1.00 0.00 C ATOM 492 C ASP A 34 -9.972 8.727 6.669 1.00 0.00 C ATOM 493 O ASP A 34 -11.120 9.165 6.733 1.00 0.00 O ATOM 494 CB ASP A 34 -8.316 9.411 8.416 1.00 0.00 C ATOM 495 CG ASP A 34 -6.996 9.448 7.671 1.00 0.00 C ATOM 496 OD1 ASP A 34 -6.179 8.524 7.864 1.00 0.00 O ATOM 497 OD2 ASP A 34 -6.781 10.401 6.893 1.00 0.00 O ATOM 0 H ASP A 34 -7.452 7.230 7.585 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.964 8.064 8.702 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.825 10.367 8.295 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.125 9.284 9.482 1.00 0.00 H new ATOM 502 N LYS A 35 -9.307 8.608 5.525 1.00 0.00 N ATOM 503 CA LYS A 35 -9.901 8.993 4.250 1.00 0.00 C ATOM 504 C LYS A 35 -10.438 7.773 3.510 1.00 0.00 C ATOM 505 O LYS A 35 -10.338 6.647 3.995 1.00 0.00 O ATOM 506 CB LYS A 35 -8.870 9.717 3.381 1.00 0.00 C ATOM 507 CG LYS A 35 -8.501 11.097 3.898 1.00 0.00 C ATOM 508 CD LYS A 35 -8.219 12.062 2.758 1.00 0.00 C ATOM 509 CE LYS A 35 -6.748 12.052 2.371 1.00 0.00 C ATOM 510 NZ LYS A 35 -5.943 12.964 3.230 1.00 0.00 N ATOM 0 H LYS A 35 -8.355 8.248 5.455 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.733 9.668 4.454 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.968 9.108 3.319 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.262 9.810 2.368 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.313 11.486 4.513 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.623 11.024 4.540 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.826 11.793 1.893 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.512 13.070 3.052 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.358 11.038 2.453 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.645 12.350 1.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.946 12.929 2.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.299 13.936 3.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.021 12.664 4.223 1.00 0.00 H new ATOM 524 N ASN A 36 -11.007 8.004 2.331 1.00 0.00 N ATOM 525 CA ASN A 36 -11.559 6.923 1.523 1.00 0.00 C ATOM 526 C ASN A 36 -10.924 6.901 0.136 1.00 0.00 C ATOM 527 O ASN A 36 -11.607 6.694 -0.866 1.00 0.00 O ATOM 528 CB ASN A 36 -13.077 7.075 1.399 1.00 0.00 C ATOM 529 CG ASN A 36 -13.776 7.011 2.743 1.00 0.00 C ATOM 530 OD1 ASN A 36 -13.207 7.381 3.770 1.00 0.00 O ATOM 531 ND2 ASN A 36 -15.018 6.539 2.742 1.00 0.00 N ATOM 0 H ASN A 36 -11.098 8.930 1.914 1.00 0.00 H new ATOM 0 HA ASN A 36 -11.334 5.980 2.021 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -13.306 8.026 0.918 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -13.467 6.289 0.752 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -15.539 6.472 3.616 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -15.451 6.244 1.867 1.00 0.00 H new ATOM 538 N GLN A 37 -9.613 7.116 0.088 1.00 0.00 N ATOM 539 CA GLN A 37 -8.886 7.121 -1.176 1.00 0.00 C ATOM 540 C GLN A 37 -7.788 6.062 -1.176 1.00 0.00 C ATOM 541 O GLN A 37 -7.600 5.349 -0.191 1.00 0.00 O ATOM 542 CB GLN A 37 -8.281 8.501 -1.434 1.00 0.00 C ATOM 543 CG GLN A 37 -9.318 9.581 -1.698 1.00 0.00 C ATOM 544 CD GLN A 37 -8.746 10.980 -1.583 1.00 0.00 C ATOM 545 OE1 GLN A 37 -7.609 11.165 -1.146 1.00 0.00 O ATOM 546 NE2 GLN A 37 -9.531 11.975 -1.977 1.00 0.00 N ATOM 0 H GLN A 37 -9.033 7.289 0.909 1.00 0.00 H new ATOM 0 HA GLN A 37 -9.591 6.887 -1.974 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.678 8.791 -0.573 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.607 8.439 -2.289 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.734 9.444 -2.696 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.141 9.470 -0.992 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.466 11.777 -2.333 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.199 12.938 -1.924 1.00 0.00 H new ATOM 555 N TRP A 38 -7.067 5.966 -2.287 1.00 0.00 N ATOM 556 CA TRP A 38 -5.987 4.994 -2.415 1.00 0.00 C ATOM 557 C TRP A 38 -4.680 5.679 -2.797 1.00 0.00 C ATOM 558 O TRP A 38 -4.574 6.283 -3.864 1.00 0.00 O ATOM 559 CB TRP A 38 -6.347 3.937 -3.460 1.00 0.00 C ATOM 560 CG TRP A 38 -7.176 2.816 -2.911 1.00 0.00 C ATOM 561 CD1 TRP A 38 -8.536 2.700 -2.962 1.00 0.00 C ATOM 562 CD2 TRP A 38 -6.699 1.653 -2.224 1.00 0.00 C ATOM 563 NE1 TRP A 38 -8.933 1.536 -2.350 1.00 0.00 N ATOM 564 CE2 TRP A 38 -7.825 0.876 -1.889 1.00 0.00 C ATOM 565 CE3 TRP A 38 -5.430 1.193 -1.862 1.00 0.00 C ATOM 566 CZ2 TRP A 38 -7.717 -0.334 -1.209 1.00 0.00 C ATOM 567 CZ3 TRP A 38 -5.326 -0.008 -1.187 1.00 0.00 C ATOM 568 CH2 TRP A 38 -6.463 -0.761 -0.867 1.00 0.00 C ATOM 0 H TRP A 38 -7.210 6.549 -3.112 1.00 0.00 H new ATOM 0 HA TRP A 38 -5.852 4.509 -1.448 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.889 4.414 -4.277 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.430 3.527 -3.883 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.202 3.418 -3.417 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -9.897 1.215 -2.254 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -4.547 1.766 -2.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -8.593 -0.915 -0.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -4.351 -0.373 -0.901 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -6.348 -1.697 -0.340 1.00 0.00 H new ATOM 579 N ARG A 39 -3.687 5.582 -1.918 1.00 0.00 N ATOM 580 CA ARG A 39 -2.387 6.194 -2.163 1.00 0.00 C ATOM 581 C ARG A 39 -1.303 5.129 -2.305 1.00 0.00 C ATOM 582 O ARG A 39 -1.501 3.974 -1.928 1.00 0.00 O ATOM 583 CB ARG A 39 -2.029 7.154 -1.027 1.00 0.00 C ATOM 584 CG ARG A 39 -2.768 8.480 -1.095 1.00 0.00 C ATOM 585 CD ARG A 39 -2.326 9.422 0.014 1.00 0.00 C ATOM 586 NE ARG A 39 -2.955 10.735 -0.099 1.00 0.00 N ATOM 587 CZ ARG A 39 -2.656 11.763 0.687 1.00 0.00 C ATOM 588 NH1 ARG A 39 -1.742 11.631 1.638 1.00 0.00 N ATOM 589 NH2 ARG A 39 -3.271 12.927 0.522 1.00 0.00 N ATOM 0 H ARG A 39 -3.759 5.085 -1.030 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.447 6.754 -3.096 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.249 6.674 -0.074 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.956 7.344 -1.048 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.590 8.948 -2.063 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.841 8.304 -1.018 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.573 8.984 0.981 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.242 9.535 -0.017 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.663 10.870 -0.821 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.266 10.738 1.768 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.514 12.422 2.240 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.974 13.033 -0.209 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.041 13.716 1.126 1.00 0.00 H new ATOM 603 N ARG A 40 -0.159 5.527 -2.851 1.00 0.00 N ATOM 604 CA ARG A 40 0.956 4.607 -3.044 1.00 0.00 C ATOM 605 C ARG A 40 2.069 4.883 -2.038 1.00 0.00 C ATOM 606 O ARG A 40 2.237 6.011 -1.576 1.00 0.00 O ATOM 607 CB ARG A 40 1.501 4.724 -4.469 1.00 0.00 C ATOM 608 CG ARG A 40 0.578 4.135 -5.524 1.00 0.00 C ATOM 609 CD ARG A 40 -0.410 5.170 -6.039 1.00 0.00 C ATOM 610 NE ARG A 40 0.256 6.247 -6.767 1.00 0.00 N ATOM 611 CZ ARG A 40 -0.310 7.423 -7.019 1.00 0.00 C ATOM 612 NH1 ARG A 40 -1.544 7.671 -6.604 1.00 0.00 N ATOM 613 NH2 ARG A 40 0.360 8.353 -7.688 1.00 0.00 N ATOM 0 H ARG A 40 0.020 6.480 -3.168 1.00 0.00 H new ATOM 0 HA ARG A 40 0.589 3.593 -2.885 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.676 5.775 -4.697 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.467 4.222 -4.522 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.171 3.751 -6.354 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.034 3.289 -5.103 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.135 4.685 -6.692 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.966 5.589 -5.200 1.00 0.00 H new ATOM 0 HE ARG A 40 1.207 6.088 -7.100 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.062 6.959 -6.090 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.976 8.574 -6.799 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.310 8.166 -8.009 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.075 9.255 -7.881 1.00 0.00 H new ATOM 627 N GLY A 41 2.828 3.844 -1.702 1.00 0.00 N ATOM 628 CA GLY A 41 3.915 3.995 -0.752 1.00 0.00 C ATOM 629 C GLY A 41 5.132 3.175 -1.130 1.00 0.00 C ATOM 630 O GLY A 41 5.030 2.217 -1.895 1.00 0.00 O ATOM 0 H GLY A 41 2.709 2.900 -2.071 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.195 5.047 -0.688 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.572 3.696 0.238 1.00 0.00 H new ATOM 634 N GLN A 42 6.288 3.553 -0.593 1.00 0.00 N ATOM 635 CA GLN A 42 7.531 2.847 -0.881 1.00 0.00 C ATOM 636 C GLN A 42 7.996 2.047 0.332 1.00 0.00 C ATOM 637 O GLN A 42 8.322 2.616 1.374 1.00 0.00 O ATOM 638 CB GLN A 42 8.619 3.837 -1.301 1.00 0.00 C ATOM 639 CG GLN A 42 9.839 3.173 -1.919 1.00 0.00 C ATOM 640 CD GLN A 42 11.020 4.117 -2.037 1.00 0.00 C ATOM 641 OE1 GLN A 42 11.082 5.140 -1.355 1.00 0.00 O ATOM 642 NE2 GLN A 42 11.965 3.777 -2.905 1.00 0.00 N ATOM 0 H GLN A 42 6.389 4.344 0.043 1.00 0.00 H new ATOM 0 HA GLN A 42 7.344 2.154 -1.701 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.199 4.544 -2.016 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.931 4.413 -0.430 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.125 2.313 -1.314 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.580 2.795 -2.908 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.873 2.920 -3.450 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.784 4.373 -3.027 1.00 0.00 H new ATOM 651 N ILE A 43 8.023 0.727 0.188 1.00 0.00 N ATOM 652 CA ILE A 43 8.449 -0.151 1.271 1.00 0.00 C ATOM 653 C ILE A 43 9.722 0.368 1.930 1.00 0.00 C ATOM 654 O ILE A 43 10.831 0.035 1.510 1.00 0.00 O ATOM 655 CB ILE A 43 8.691 -1.587 0.771 1.00 0.00 C ATOM 656 CG1 ILE A 43 7.416 -2.154 0.145 1.00 0.00 C ATOM 657 CG2 ILE A 43 9.167 -2.472 1.913 1.00 0.00 C ATOM 658 CD1 ILE A 43 6.242 -2.195 1.098 1.00 0.00 C ATOM 0 H ILE A 43 7.755 0.241 -0.668 1.00 0.00 H new ATOM 0 HA ILE A 43 7.642 -0.163 2.004 1.00 0.00 H new ATOM 0 HB ILE A 43 9.468 -1.564 0.007 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.148 -1.552 -0.723 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.616 -3.163 -0.216 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.334 -3.484 1.544 1.00 0.00 H new ATOM 0 HG22 ILE A 43 10.098 -2.075 2.317 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.410 -2.492 2.697 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.373 -2.608 0.587 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.491 -2.821 1.955 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.016 -1.185 1.440 1.00 0.00 H new ATOM 670 N ILE A 44 9.556 1.183 2.967 1.00 0.00 N ATOM 671 CA ILE A 44 10.693 1.745 3.686 1.00 0.00 C ATOM 672 C ILE A 44 11.439 0.666 4.464 1.00 0.00 C ATOM 673 O ILE A 44 12.603 0.378 4.185 1.00 0.00 O ATOM 674 CB ILE A 44 10.250 2.852 4.660 1.00 0.00 C ATOM 675 CG1 ILE A 44 9.754 4.075 3.886 1.00 0.00 C ATOM 676 CG2 ILE A 44 11.397 3.234 5.584 1.00 0.00 C ATOM 677 CD1 ILE A 44 9.460 5.270 4.766 1.00 0.00 C ATOM 0 H ILE A 44 8.646 1.469 3.328 1.00 0.00 H new ATOM 0 HA ILE A 44 11.359 2.175 2.938 1.00 0.00 H new ATOM 0 HB ILE A 44 9.429 2.473 5.268 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.504 4.355 3.146 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.851 3.806 3.339 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.069 4.018 6.267 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.709 2.361 6.157 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.236 3.598 4.991 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.113 6.099 4.150 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.688 5.008 5.490 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.367 5.565 5.294 1.00 0.00 H new ATOM 689 N ARG A 45 10.760 0.072 5.440 1.00 0.00 N ATOM 690 CA ARG A 45 11.358 -0.975 6.259 1.00 0.00 C ATOM 691 C ARG A 45 10.283 -1.773 6.991 1.00 0.00 C ATOM 692 O ARG A 45 9.455 -1.208 7.705 1.00 0.00 O ATOM 693 CB ARG A 45 12.334 -0.368 7.268 1.00 0.00 C ATOM 694 CG ARG A 45 11.681 0.033 8.581 1.00 0.00 C ATOM 695 CD ARG A 45 12.543 1.021 9.352 1.00 0.00 C ATOM 696 NE ARG A 45 11.971 1.343 10.657 1.00 0.00 N ATOM 697 CZ ARG A 45 12.641 1.971 11.617 1.00 0.00 C ATOM 698 NH1 ARG A 45 13.898 2.342 11.420 1.00 0.00 N ATOM 699 NH2 ARG A 45 12.052 2.229 12.778 1.00 0.00 N ATOM 0 H ARG A 45 9.795 0.298 5.683 1.00 0.00 H new ATOM 0 HA ARG A 45 11.902 -1.651 5.600 1.00 0.00 H new ATOM 0 HB2 ARG A 45 13.127 -1.087 7.471 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.805 0.509 6.823 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.705 0.477 8.383 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.510 -0.855 9.190 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.541 0.604 9.486 1.00 0.00 H new ATOM 0 HD3 ARG A 45 12.656 1.936 8.770 1.00 0.00 H new ATOM 0 HE ARG A 45 11.005 1.071 10.841 1.00 0.00 H new ATOM 0 HH11 ARG A 45 14.354 2.146 10.529 1.00 0.00 H new ATOM 0 HH12 ARG A 45 14.409 2.824 12.159 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.085 1.945 12.933 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.567 2.711 13.515 1.00 0.00 H new ATOM 713 N MET A 46 10.302 -3.089 6.807 1.00 0.00 N ATOM 714 CA MET A 46 9.329 -3.965 7.451 1.00 0.00 C ATOM 715 C MET A 46 9.503 -3.950 8.966 1.00 0.00 C ATOM 716 O MET A 46 10.500 -4.446 9.491 1.00 0.00 O ATOM 717 CB MET A 46 9.470 -5.394 6.924 1.00 0.00 C ATOM 718 CG MET A 46 8.830 -5.605 5.561 1.00 0.00 C ATOM 719 SD MET A 46 8.338 -7.318 5.283 1.00 0.00 S ATOM 720 CE MET A 46 7.147 -7.546 6.601 1.00 0.00 C ATOM 0 H MET A 46 10.980 -3.572 6.218 1.00 0.00 H new ATOM 0 HA MET A 46 8.332 -3.595 7.214 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.528 -5.647 6.862 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.019 -6.082 7.639 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.956 -4.961 5.471 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.531 -5.302 4.784 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.488 -8.339 7.266 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.046 -6.618 7.164 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.181 -7.819 6.176 1.00 0.00 H new ATOM 730 N VAL A 47 8.528 -3.376 9.664 1.00 0.00 N ATOM 731 CA VAL A 47 8.573 -3.297 11.119 1.00 0.00 C ATOM 732 C VAL A 47 8.283 -4.654 11.752 1.00 0.00 C ATOM 733 O VAL A 47 9.151 -5.256 12.384 1.00 0.00 O ATOM 734 CB VAL A 47 7.564 -2.265 11.657 1.00 0.00 C ATOM 735 CG1 VAL A 47 7.675 -2.148 13.169 1.00 0.00 C ATOM 736 CG2 VAL A 47 7.779 -0.914 10.992 1.00 0.00 C ATOM 0 H VAL A 47 7.697 -2.959 9.245 1.00 0.00 H new ATOM 0 HA VAL A 47 9.581 -2.982 11.388 1.00 0.00 H new ATOM 0 HB VAL A 47 6.557 -2.607 11.416 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.955 -1.414 13.531 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.468 -3.116 13.625 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.683 -1.830 13.436 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.058 -0.197 11.384 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.790 -0.563 11.200 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.644 -1.013 9.915 1.00 0.00 H new ATOM 746 N THR A 48 7.054 -5.131 11.578 1.00 0.00 N ATOM 747 CA THR A 48 6.648 -6.416 12.133 1.00 0.00 C ATOM 748 C THR A 48 6.043 -7.312 11.058 1.00 0.00 C ATOM 749 O THR A 48 5.972 -6.934 9.889 1.00 0.00 O ATOM 750 CB THR A 48 5.626 -6.238 13.272 1.00 0.00 C ATOM 751 OG1 THR A 48 4.371 -5.800 12.740 1.00 0.00 O ATOM 752 CG2 THR A 48 6.127 -5.232 14.296 1.00 0.00 C ATOM 0 H THR A 48 6.323 -4.646 11.057 1.00 0.00 H new ATOM 0 HA THR A 48 7.547 -6.887 12.531 1.00 0.00 H new ATOM 0 HB THR A 48 5.495 -7.201 13.766 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.767 -5.568 13.476 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.389 -5.123 15.090 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.068 -5.583 14.721 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.284 -4.268 13.812 1.00 0.00 H new ATOM 760 N ASP A 49 5.609 -8.501 11.462 1.00 0.00 N ATOM 761 CA ASP A 49 5.008 -9.451 10.533 1.00 0.00 C ATOM 762 C ASP A 49 3.624 -8.982 10.095 1.00 0.00 C ATOM 763 O ASP A 49 2.971 -9.623 9.270 1.00 0.00 O ATOM 764 CB ASP A 49 4.912 -10.835 11.176 1.00 0.00 C ATOM 765 CG ASP A 49 6.166 -11.205 11.944 1.00 0.00 C ATOM 766 OD1 ASP A 49 7.085 -11.789 11.332 1.00 0.00 O ATOM 767 OD2 ASP A 49 6.228 -10.910 13.155 1.00 0.00 O ATOM 0 H ASP A 49 5.662 -8.830 12.426 1.00 0.00 H new ATOM 0 HA ASP A 49 5.646 -9.512 9.652 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.056 -10.861 11.850 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.730 -11.580 10.402 1.00 0.00 H new ATOM 772 N THR A 50 3.180 -7.861 10.655 1.00 0.00 N ATOM 773 CA THR A 50 1.873 -7.307 10.325 1.00 0.00 C ATOM 774 C THR A 50 1.981 -5.838 9.933 1.00 0.00 C ATOM 775 O THR A 50 1.174 -5.333 9.151 1.00 0.00 O ATOM 776 CB THR A 50 0.892 -7.441 11.505 1.00 0.00 C ATOM 777 OG1 THR A 50 1.450 -6.836 12.677 1.00 0.00 O ATOM 778 CG2 THR A 50 0.577 -8.903 11.784 1.00 0.00 C ATOM 0 H THR A 50 3.707 -7.319 11.340 1.00 0.00 H new ATOM 0 HA THR A 50 1.492 -7.879 9.479 1.00 0.00 H new ATOM 0 HB THR A 50 -0.034 -6.931 11.239 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.357 -6.520 12.482 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.118 -8.972 12.621 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.126 -9.353 10.900 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.497 -9.433 12.031 1.00 0.00 H new ATOM 786 N LEU A 51 2.982 -5.157 10.479 1.00 0.00 N ATOM 787 CA LEU A 51 3.196 -3.744 10.185 1.00 0.00 C ATOM 788 C LEU A 51 4.376 -3.558 9.237 1.00 0.00 C ATOM 789 O LEU A 51 5.317 -4.352 9.237 1.00 0.00 O ATOM 790 CB LEU A 51 3.438 -2.965 11.479 1.00 0.00 C ATOM 791 CG LEU A 51 2.366 -3.108 12.560 1.00 0.00 C ATOM 792 CD1 LEU A 51 2.789 -2.388 13.830 1.00 0.00 C ATOM 793 CD2 LEU A 51 1.031 -2.574 12.061 1.00 0.00 C ATOM 0 H LEU A 51 3.658 -5.560 11.128 1.00 0.00 H new ATOM 0 HA LEU A 51 2.300 -3.359 9.699 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.393 -3.284 11.898 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.536 -1.908 11.230 1.00 0.00 H new ATOM 0 HG LEU A 51 2.248 -4.167 12.790 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.014 -2.501 14.588 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.721 -2.817 14.198 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.936 -1.329 13.616 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.280 -2.684 12.843 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.134 -1.520 11.803 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.721 -3.135 11.179 1.00 0.00 H new ATOM 805 N VAL A 52 4.321 -2.502 8.432 1.00 0.00 N ATOM 806 CA VAL A 52 5.387 -2.209 7.481 1.00 0.00 C ATOM 807 C VAL A 52 5.523 -0.708 7.254 1.00 0.00 C ATOM 808 O VAL A 52 4.529 -0.005 7.073 1.00 0.00 O ATOM 809 CB VAL A 52 5.139 -2.902 6.128 1.00 0.00 C ATOM 810 CG1 VAL A 52 6.039 -2.312 5.053 1.00 0.00 C ATOM 811 CG2 VAL A 52 5.354 -4.403 6.252 1.00 0.00 C ATOM 0 H VAL A 52 3.549 -1.835 8.419 1.00 0.00 H new ATOM 0 HA VAL A 52 6.311 -2.593 7.913 1.00 0.00 H new ATOM 0 HB VAL A 52 4.103 -2.730 5.835 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.850 -2.814 4.104 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.831 -1.247 4.948 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.083 -2.451 5.335 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.175 -4.877 5.287 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.379 -4.599 6.568 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.663 -4.810 6.990 1.00 0.00 H new ATOM 821 N GLU A 53 6.761 -0.223 7.263 1.00 0.00 N ATOM 822 CA GLU A 53 7.027 1.196 7.058 1.00 0.00 C ATOM 823 C GLU A 53 7.087 1.529 5.570 1.00 0.00 C ATOM 824 O GLU A 53 7.890 0.962 4.828 1.00 0.00 O ATOM 825 CB GLU A 53 8.339 1.595 7.735 1.00 0.00 C ATOM 826 CG GLU A 53 8.365 3.038 8.210 1.00 0.00 C ATOM 827 CD GLU A 53 9.528 3.326 9.140 1.00 0.00 C ATOM 828 OE1 GLU A 53 9.392 3.075 10.356 1.00 0.00 O ATOM 829 OE2 GLU A 53 10.574 3.802 8.651 1.00 0.00 O ATOM 0 H GLU A 53 7.595 -0.792 7.410 1.00 0.00 H new ATOM 0 HA GLU A 53 6.210 1.761 7.506 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.513 0.938 8.587 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.161 1.436 7.037 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.423 3.700 7.346 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.430 3.265 8.723 1.00 0.00 H new ATOM 836 N VAL A 54 6.232 2.451 5.140 1.00 0.00 N ATOM 837 CA VAL A 54 6.188 2.860 3.741 1.00 0.00 C ATOM 838 C VAL A 54 6.329 4.372 3.606 1.00 0.00 C ATOM 839 O VAL A 54 6.063 5.118 4.549 1.00 0.00 O ATOM 840 CB VAL A 54 4.876 2.415 3.067 1.00 0.00 C ATOM 841 CG1 VAL A 54 4.944 0.944 2.686 1.00 0.00 C ATOM 842 CG2 VAL A 54 3.690 2.684 3.981 1.00 0.00 C ATOM 0 H VAL A 54 5.560 2.929 5.740 1.00 0.00 H new ATOM 0 HA VAL A 54 7.027 2.374 3.242 1.00 0.00 H new ATOM 0 HB VAL A 54 4.741 2.996 2.155 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.009 0.647 2.211 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.769 0.786 1.992 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.103 0.343 3.581 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.772 2.364 3.489 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.815 2.131 4.912 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.632 3.751 4.198 1.00 0.00 H new ATOM 852 N LEU A 55 6.747 4.818 2.427 1.00 0.00 N ATOM 853 CA LEU A 55 6.923 6.243 2.167 1.00 0.00 C ATOM 854 C LEU A 55 5.952 6.724 1.093 1.00 0.00 C ATOM 855 O LEU A 55 5.947 6.214 -0.028 1.00 0.00 O ATOM 856 CB LEU A 55 8.362 6.529 1.735 1.00 0.00 C ATOM 857 CG LEU A 55 8.572 7.786 0.890 1.00 0.00 C ATOM 858 CD1 LEU A 55 8.186 9.029 1.677 1.00 0.00 C ATOM 859 CD2 LEU A 55 10.016 7.878 0.419 1.00 0.00 C ATOM 0 H LEU A 55 6.970 4.214 1.636 1.00 0.00 H new ATOM 0 HA LEU A 55 6.713 6.784 3.089 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.979 6.610 2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.728 5.671 1.171 1.00 0.00 H new ATOM 0 HG LEU A 55 7.928 7.722 0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.342 9.914 1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.136 8.967 1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.803 9.098 2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.146 8.779 -0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.679 7.919 1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.259 7.003 -0.183 1.00 0.00 H new ATOM 871 N LEU A 56 5.133 7.710 1.442 1.00 0.00 N ATOM 872 CA LEU A 56 4.159 8.263 0.508 1.00 0.00 C ATOM 873 C LEU A 56 4.826 9.226 -0.469 1.00 0.00 C ATOM 874 O LEU A 56 4.355 10.345 -0.673 1.00 0.00 O ATOM 875 CB LEU A 56 3.044 8.982 1.269 1.00 0.00 C ATOM 876 CG LEU A 56 2.417 8.208 2.429 1.00 0.00 C ATOM 877 CD1 LEU A 56 1.374 9.060 3.136 1.00 0.00 C ATOM 878 CD2 LEU A 56 1.800 6.909 1.933 1.00 0.00 C ATOM 0 H LEU A 56 5.124 8.143 2.365 1.00 0.00 H new ATOM 0 HA LEU A 56 3.729 7.438 -0.060 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.442 9.920 1.657 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.256 9.239 0.562 1.00 0.00 H new ATOM 0 HG LEU A 56 3.203 7.963 3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.938 8.493 3.959 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.845 9.962 3.526 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.590 9.336 2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.359 6.372 2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.027 7.131 1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.572 6.292 1.473 1.00 0.00 H new ATOM 890 N TYR A 57 5.925 8.784 -1.070 1.00 0.00 N ATOM 891 CA TYR A 57 6.658 9.606 -2.025 1.00 0.00 C ATOM 892 C TYR A 57 5.702 10.453 -2.861 1.00 0.00 C ATOM 893 O TYR A 57 6.015 11.587 -3.224 1.00 0.00 O ATOM 894 CB TYR A 57 7.510 8.726 -2.940 1.00 0.00 C ATOM 895 CG TYR A 57 6.723 7.643 -3.643 1.00 0.00 C ATOM 896 CD1 TYR A 57 6.107 7.885 -4.865 1.00 0.00 C ATOM 897 CD2 TYR A 57 6.597 6.376 -3.086 1.00 0.00 C ATOM 898 CE1 TYR A 57 5.387 6.899 -5.510 1.00 0.00 C ATOM 899 CE2 TYR A 57 5.880 5.383 -3.725 1.00 0.00 C ATOM 900 CZ TYR A 57 5.276 5.650 -4.936 1.00 0.00 C ATOM 901 OH TYR A 57 4.560 4.664 -5.576 1.00 0.00 O ATOM 0 H TYR A 57 6.328 7.860 -0.912 1.00 0.00 H new ATOM 0 HA TYR A 57 7.311 10.274 -1.464 1.00 0.00 H new ATOM 0 HB2 TYR A 57 7.994 9.355 -3.687 1.00 0.00 H new ATOM 0 HB3 TYR A 57 8.302 8.264 -2.351 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.193 8.862 -5.318 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.068 6.164 -2.137 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.913 7.105 -6.459 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.793 4.403 -3.279 1.00 0.00 H new ATOM 0 HH TYR A 57 4.580 3.844 -5.039 1.00 0.00 H new ATOM 911 N ASP A 58 4.536 9.893 -3.162 1.00 0.00 N ATOM 912 CA ASP A 58 3.532 10.595 -3.953 1.00 0.00 C ATOM 913 C ASP A 58 3.258 11.981 -3.377 1.00 0.00 C ATOM 914 O ASP A 58 3.266 12.978 -4.100 1.00 0.00 O ATOM 915 CB ASP A 58 2.235 9.786 -4.006 1.00 0.00 C ATOM 916 CG ASP A 58 1.834 9.247 -2.647 1.00 0.00 C ATOM 917 OD1 ASP A 58 2.676 8.595 -1.994 1.00 0.00 O ATOM 918 OD2 ASP A 58 0.677 9.477 -2.236 1.00 0.00 O ATOM 0 H ASP A 58 4.262 8.955 -2.870 1.00 0.00 H new ATOM 0 HA ASP A 58 3.920 10.711 -4.965 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.434 10.414 -4.395 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.356 8.956 -4.702 1.00 0.00 H new ATOM 923 N VAL A 59 3.015 12.036 -2.072 1.00 0.00 N ATOM 924 CA VAL A 59 2.739 13.299 -1.398 1.00 0.00 C ATOM 925 C VAL A 59 3.970 13.809 -0.659 1.00 0.00 C ATOM 926 O VAL A 59 4.306 14.991 -0.732 1.00 0.00 O ATOM 927 CB VAL A 59 1.575 13.160 -0.399 1.00 0.00 C ATOM 928 CG1 VAL A 59 0.300 12.748 -1.118 1.00 0.00 C ATOM 929 CG2 VAL A 59 1.928 12.160 0.693 1.00 0.00 C ATOM 0 H VAL A 59 3.004 11.220 -1.460 1.00 0.00 H new ATOM 0 HA VAL A 59 2.461 14.015 -2.171 1.00 0.00 H new ATOM 0 HB VAL A 59 1.402 14.129 0.069 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.511 12.655 -0.396 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.040 13.503 -1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.456 11.790 -1.614 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.095 12.074 1.390 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.128 11.187 0.244 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.814 12.502 1.227 1.00 0.00 H new ATOM 939 N GLY A 60 4.642 12.909 0.053 1.00 0.00 N ATOM 940 CA GLY A 60 5.830 13.287 0.796 1.00 0.00 C ATOM 941 C GLY A 60 5.635 13.181 2.295 1.00 0.00 C ATOM 942 O GLY A 60 5.890 14.134 3.031 1.00 0.00 O ATOM 0 H GLY A 60 4.385 11.925 0.128 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.661 12.649 0.495 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.104 14.310 0.540 1.00 0.00 H new ATOM 946 N VAL A 61 5.179 12.018 2.750 1.00 0.00 N ATOM 947 CA VAL A 61 4.949 11.790 4.172 1.00 0.00 C ATOM 948 C VAL A 61 5.391 10.390 4.583 1.00 0.00 C ATOM 949 O VAL A 61 4.971 9.398 3.990 1.00 0.00 O ATOM 950 CB VAL A 61 3.465 11.976 4.537 1.00 0.00 C ATOM 951 CG1 VAL A 61 3.189 11.449 5.937 1.00 0.00 C ATOM 952 CG2 VAL A 61 3.067 13.440 4.422 1.00 0.00 C ATOM 0 H VAL A 61 4.962 11.219 2.154 1.00 0.00 H new ATOM 0 HA VAL A 61 5.543 12.528 4.711 1.00 0.00 H new ATOM 0 HB VAL A 61 2.862 11.403 3.833 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.135 11.589 6.177 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.433 10.388 5.981 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.801 11.992 6.657 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.015 13.553 4.684 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.676 14.037 5.101 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.225 13.781 3.399 1.00 0.00 H new ATOM 962 N GLU A 62 6.241 10.319 5.603 1.00 0.00 N ATOM 963 CA GLU A 62 6.740 9.040 6.093 1.00 0.00 C ATOM 964 C GLU A 62 5.817 8.471 7.167 1.00 0.00 C ATOM 965 O GLU A 62 5.603 9.091 8.209 1.00 0.00 O ATOM 966 CB GLU A 62 8.155 9.200 6.654 1.00 0.00 C ATOM 967 CG GLU A 62 9.143 9.782 5.657 1.00 0.00 C ATOM 968 CD GLU A 62 10.390 10.330 6.323 1.00 0.00 C ATOM 969 OE1 GLU A 62 11.009 9.595 7.121 1.00 0.00 O ATOM 970 OE2 GLU A 62 10.746 11.495 6.047 1.00 0.00 O ATOM 0 H GLU A 62 6.598 11.132 6.105 1.00 0.00 H new ATOM 0 HA GLU A 62 6.766 8.344 5.254 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.118 9.843 7.533 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.517 8.227 6.986 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.427 9.011 4.941 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.657 10.578 5.093 1.00 0.00 H new ATOM 977 N LEU A 63 5.272 7.288 6.904 1.00 0.00 N ATOM 978 CA LEU A 63 4.371 6.635 7.846 1.00 0.00 C ATOM 979 C LEU A 63 4.464 5.117 7.725 1.00 0.00 C ATOM 980 O LEU A 63 5.173 4.594 6.865 1.00 0.00 O ATOM 981 CB LEU A 63 2.931 7.090 7.605 1.00 0.00 C ATOM 982 CG LEU A 63 2.100 6.218 6.663 1.00 0.00 C ATOM 983 CD1 LEU A 63 0.696 6.782 6.512 1.00 0.00 C ATOM 984 CD2 LEU A 63 2.779 6.102 5.306 1.00 0.00 C ATOM 0 H LEU A 63 5.439 6.762 6.046 1.00 0.00 H new ATOM 0 HA LEU A 63 4.671 6.920 8.854 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.421 7.139 8.567 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.954 8.103 7.204 1.00 0.00 H new ATOM 0 HG LEU A 63 2.024 5.220 7.095 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.120 6.148 5.838 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.209 6.812 7.487 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.751 7.791 6.103 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.174 5.478 4.648 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.887 7.094 4.867 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.764 5.651 5.429 1.00 0.00 H new ATOM 996 N VAL A 64 3.741 4.414 8.591 1.00 0.00 N ATOM 997 CA VAL A 64 3.738 2.956 8.579 1.00 0.00 C ATOM 998 C VAL A 64 2.323 2.407 8.716 1.00 0.00 C ATOM 999 O VAL A 64 1.572 2.812 9.604 1.00 0.00 O ATOM 1000 CB VAL A 64 4.611 2.384 9.712 1.00 0.00 C ATOM 1001 CG1 VAL A 64 4.264 3.044 11.038 1.00 0.00 C ATOM 1002 CG2 VAL A 64 4.447 0.874 9.800 1.00 0.00 C ATOM 0 H VAL A 64 3.150 4.831 9.310 1.00 0.00 H new ATOM 0 HA VAL A 64 4.152 2.647 7.619 1.00 0.00 H new ATOM 0 HB VAL A 64 5.655 2.601 9.488 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.891 2.627 11.827 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.437 4.118 10.966 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.216 2.860 11.273 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.071 0.487 10.606 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.403 0.632 10.001 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.749 0.420 8.856 1.00 0.00 H new ATOM 1012 N VAL A 65 1.963 1.483 7.831 1.00 0.00 N ATOM 1013 CA VAL A 65 0.638 0.877 7.853 1.00 0.00 C ATOM 1014 C VAL A 65 0.729 -0.640 7.977 1.00 0.00 C ATOM 1015 O VAL A 65 1.818 -1.211 7.944 1.00 0.00 O ATOM 1016 CB VAL A 65 -0.163 1.231 6.586 1.00 0.00 C ATOM 1017 CG1 VAL A 65 -0.151 2.733 6.348 1.00 0.00 C ATOM 1018 CG2 VAL A 65 0.393 0.487 5.381 1.00 0.00 C ATOM 0 H VAL A 65 2.572 1.138 7.089 1.00 0.00 H new ATOM 0 HA VAL A 65 0.121 1.279 8.724 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.197 0.920 6.732 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.722 2.963 5.449 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.599 3.240 7.202 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.877 3.073 6.222 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.184 0.748 4.494 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.436 0.766 5.231 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.326 -0.587 5.554 1.00 0.00 H new ATOM 1028 N ASN A 66 -0.423 -1.287 8.120 1.00 0.00 N ATOM 1029 CA ASN A 66 -0.474 -2.738 8.248 1.00 0.00 C ATOM 1030 C ASN A 66 -0.500 -3.406 6.877 1.00 0.00 C ATOM 1031 O ASN A 66 -1.236 -2.985 5.984 1.00 0.00 O ATOM 1032 CB ASN A 66 -1.705 -3.157 9.055 1.00 0.00 C ATOM 1033 CG ASN A 66 -1.531 -4.512 9.714 1.00 0.00 C ATOM 1034 OD1 ASN A 66 -0.717 -4.673 10.624 1.00 0.00 O ATOM 1035 ND2 ASN A 66 -2.297 -5.495 9.255 1.00 0.00 N ATOM 0 H ASN A 66 -1.334 -0.829 8.150 1.00 0.00 H new ATOM 0 HA ASN A 66 0.425 -3.062 8.773 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.907 -2.407 9.820 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.574 -3.184 8.398 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.224 -6.429 9.658 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.958 -5.316 8.499 1.00 0.00 H new ATOM 1042 N VAL A 67 0.307 -4.449 6.716 1.00 0.00 N ATOM 1043 CA VAL A 67 0.376 -5.176 5.454 1.00 0.00 C ATOM 1044 C VAL A 67 -1.019 -5.480 4.919 1.00 0.00 C ATOM 1045 O VAL A 67 -1.233 -5.527 3.708 1.00 0.00 O ATOM 1046 CB VAL A 67 1.154 -6.496 5.609 1.00 0.00 C ATOM 1047 CG1 VAL A 67 2.650 -6.230 5.678 1.00 0.00 C ATOM 1048 CG2 VAL A 67 0.681 -7.252 6.842 1.00 0.00 C ATOM 0 H VAL A 67 0.923 -4.810 7.444 1.00 0.00 H new ATOM 0 HA VAL A 67 0.902 -4.535 4.747 1.00 0.00 H new ATOM 0 HB VAL A 67 0.960 -7.116 4.734 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.183 -7.175 5.787 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.974 -5.735 4.763 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.867 -5.590 6.533 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.242 -8.182 6.936 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.843 -6.639 7.729 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.381 -7.477 6.746 1.00 0.00 H new ATOM 1058 N ASP A 68 -1.964 -5.687 5.830 1.00 0.00 N ATOM 1059 CA ASP A 68 -3.340 -5.986 5.450 1.00 0.00 C ATOM 1060 C ASP A 68 -3.924 -4.863 4.598 1.00 0.00 C ATOM 1061 O ASP A 68 -4.696 -5.112 3.671 1.00 0.00 O ATOM 1062 CB ASP A 68 -4.201 -6.198 6.696 1.00 0.00 C ATOM 1063 CG ASP A 68 -5.462 -6.986 6.400 1.00 0.00 C ATOM 1064 OD1 ASP A 68 -6.303 -6.489 5.623 1.00 0.00 O ATOM 1065 OD2 ASP A 68 -5.608 -8.099 6.948 1.00 0.00 O ATOM 0 H ASP A 68 -1.802 -5.653 6.837 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.337 -6.902 4.860 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.617 -6.722 7.453 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.471 -5.229 7.117 1.00 0.00 H new ATOM 1070 N CYS A 69 -3.551 -3.629 4.918 1.00 0.00 N ATOM 1071 CA CYS A 69 -4.039 -2.468 4.183 1.00 0.00 C ATOM 1072 C CYS A 69 -3.280 -2.296 2.871 1.00 0.00 C ATOM 1073 O CYS A 69 -3.826 -1.797 1.886 1.00 0.00 O ATOM 1074 CB CYS A 69 -3.903 -1.205 5.035 1.00 0.00 C ATOM 1075 SG CYS A 69 -5.306 -0.902 6.134 1.00 0.00 S ATOM 0 H CYS A 69 -2.912 -3.407 5.682 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.092 -2.631 3.953 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.995 -1.280 5.634 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -3.780 -0.346 4.375 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.097 0.186 6.814 1.00 0.00 H new ATOM 1081 N LEU A 70 -2.018 -2.710 2.866 1.00 0.00 N ATOM 1082 CA LEU A 70 -1.182 -2.601 1.675 1.00 0.00 C ATOM 1083 C LEU A 70 -1.741 -3.449 0.537 1.00 0.00 C ATOM 1084 O LEU A 70 -2.488 -4.400 0.768 1.00 0.00 O ATOM 1085 CB LEU A 70 0.250 -3.033 1.992 1.00 0.00 C ATOM 1086 CG LEU A 70 1.011 -2.157 2.988 1.00 0.00 C ATOM 1087 CD1 LEU A 70 2.355 -2.781 3.331 1.00 0.00 C ATOM 1088 CD2 LEU A 70 1.200 -0.754 2.428 1.00 0.00 C ATOM 0 H LEU A 70 -1.551 -3.124 3.673 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.179 -1.558 1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.223 -4.051 2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.814 -3.062 1.060 1.00 0.00 H new ATOM 0 HG LEU A 70 0.423 -2.086 3.903 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.882 -2.143 4.041 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.197 -3.764 3.774 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.951 -2.883 2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.743 -0.144 3.150 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.766 -0.807 1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.226 -0.305 2.234 1.00 0.00 H new ATOM 1100 N ARG A 71 -1.374 -3.098 -0.691 1.00 0.00 N ATOM 1101 CA ARG A 71 -1.838 -3.827 -1.865 1.00 0.00 C ATOM 1102 C ARG A 71 -0.731 -3.939 -2.909 1.00 0.00 C ATOM 1103 O ARG A 71 0.156 -3.087 -2.983 1.00 0.00 O ATOM 1104 CB ARG A 71 -3.059 -3.134 -2.473 1.00 0.00 C ATOM 1105 CG ARG A 71 -4.287 -3.168 -1.577 1.00 0.00 C ATOM 1106 CD ARG A 71 -4.908 -4.555 -1.536 1.00 0.00 C ATOM 1107 NE ARG A 71 -5.595 -4.809 -0.272 1.00 0.00 N ATOM 1108 CZ ARG A 71 -6.816 -4.365 0.003 1.00 0.00 C ATOM 1109 NH1 ARG A 71 -7.482 -3.649 -0.892 1.00 0.00 N ATOM 1110 NH2 ARG A 71 -7.374 -4.638 1.176 1.00 0.00 N ATOM 0 H ARG A 71 -0.757 -2.313 -0.899 1.00 0.00 H new ATOM 0 HA ARG A 71 -2.119 -4.832 -1.549 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.807 -2.096 -2.690 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.300 -3.609 -3.424 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.011 -2.862 -0.568 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.023 -2.449 -1.938 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.614 -4.661 -2.360 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -4.131 -5.305 -1.683 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.110 -5.357 0.438 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.057 -3.438 -1.795 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.420 -3.309 -0.678 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.865 -5.189 1.867 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.312 -4.297 1.386 1.00 0.00 H new ATOM 1124 N LYS A 72 -0.788 -4.994 -3.714 1.00 0.00 N ATOM 1125 CA LYS A 72 0.209 -5.218 -4.755 1.00 0.00 C ATOM 1126 C LYS A 72 -0.042 -4.307 -5.953 1.00 0.00 C ATOM 1127 O LYS A 72 -1.125 -4.320 -6.539 1.00 0.00 O ATOM 1128 CB LYS A 72 0.191 -6.682 -5.200 1.00 0.00 C ATOM 1129 CG LYS A 72 0.611 -7.654 -4.112 1.00 0.00 C ATOM 1130 CD LYS A 72 -0.070 -9.002 -4.275 1.00 0.00 C ATOM 1131 CE LYS A 72 0.451 -9.746 -5.495 1.00 0.00 C ATOM 1132 NZ LYS A 72 1.862 -10.186 -5.316 1.00 0.00 N ATOM 0 H LYS A 72 -1.515 -5.708 -3.666 1.00 0.00 H new ATOM 0 HA LYS A 72 1.190 -4.983 -4.342 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.814 -6.938 -5.536 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.854 -6.801 -6.057 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.693 -7.786 -4.139 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.365 -7.237 -3.135 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.095 -9.605 -3.382 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.146 -8.858 -4.368 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.179 -10.615 -5.687 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.380 -9.101 -6.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.120 -10.843 -6.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.490 -9.358 -5.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.963 -10.665 -4.398 1.00 0.00 H new ATOM 1146 N LEU A 73 0.966 -3.520 -6.312 1.00 0.00 N ATOM 1147 CA LEU A 73 0.855 -2.604 -7.443 1.00 0.00 C ATOM 1148 C LEU A 73 0.982 -3.353 -8.765 1.00 0.00 C ATOM 1149 O LEU A 73 2.030 -3.923 -9.068 1.00 0.00 O ATOM 1150 CB LEU A 73 1.930 -1.519 -7.352 1.00 0.00 C ATOM 1151 CG LEU A 73 1.573 -0.168 -7.973 1.00 0.00 C ATOM 1152 CD1 LEU A 73 0.690 0.636 -7.031 1.00 0.00 C ATOM 1153 CD2 LEU A 73 2.835 0.610 -8.319 1.00 0.00 C ATOM 0 H LEU A 73 1.869 -3.497 -5.837 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.129 -2.136 -7.406 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.171 -1.361 -6.301 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.835 -1.890 -7.834 1.00 0.00 H new ATOM 0 HG LEU A 73 1.017 -0.348 -8.893 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.446 1.594 -7.490 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.229 0.084 -6.834 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.219 0.807 -6.093 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.562 1.569 -8.760 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.418 0.780 -7.413 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.430 0.039 -9.032 1.00 0.00 H new ATOM 1165 N GLU A 74 -0.091 -3.345 -9.550 1.00 0.00 N ATOM 1166 CA GLU A 74 -0.097 -4.023 -10.841 1.00 0.00 C ATOM 1167 C GLU A 74 0.563 -3.160 -11.912 1.00 0.00 C ATOM 1168 O GLU A 74 0.756 -1.960 -11.723 1.00 0.00 O ATOM 1169 CB GLU A 74 -1.530 -4.364 -11.256 1.00 0.00 C ATOM 1170 CG GLU A 74 -2.262 -5.241 -10.254 1.00 0.00 C ATOM 1171 CD GLU A 74 -3.637 -5.658 -10.738 1.00 0.00 C ATOM 1172 OE1 GLU A 74 -4.453 -4.765 -11.050 1.00 0.00 O ATOM 1173 OE2 GLU A 74 -3.898 -6.877 -10.806 1.00 0.00 O ATOM 0 H GLU A 74 -0.966 -2.877 -9.315 1.00 0.00 H new ATOM 0 HA GLU A 74 0.474 -4.946 -10.741 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.089 -3.439 -11.393 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.509 -4.870 -12.221 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.666 -6.131 -10.053 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.361 -4.704 -9.311 1.00 0.00 H new ATOM 1180 N GLU A 75 0.906 -3.782 -13.036 1.00 0.00 N ATOM 1181 CA GLU A 75 1.546 -3.070 -14.136 1.00 0.00 C ATOM 1182 C GLU A 75 0.549 -2.160 -14.848 1.00 0.00 C ATOM 1183 O GLU A 75 0.903 -1.077 -15.312 1.00 0.00 O ATOM 1184 CB GLU A 75 2.149 -4.063 -15.132 1.00 0.00 C ATOM 1185 CG GLU A 75 3.357 -3.520 -15.877 1.00 0.00 C ATOM 1186 CD GLU A 75 2.976 -2.776 -17.142 1.00 0.00 C ATOM 1187 OE1 GLU A 75 2.258 -3.360 -17.980 1.00 0.00 O ATOM 1188 OE2 GLU A 75 3.396 -1.610 -17.295 1.00 0.00 O ATOM 0 H GLU A 75 0.752 -4.775 -13.208 1.00 0.00 H new ATOM 0 HA GLU A 75 2.343 -2.453 -13.722 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.438 -4.969 -14.599 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.385 -4.349 -15.855 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.914 -2.851 -15.220 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.023 -4.344 -16.131 1.00 0.00 H new ATOM 1195 N ASN A 76 -0.699 -2.610 -14.932 1.00 0.00 N ATOM 1196 CA ASN A 76 -1.748 -1.838 -15.588 1.00 0.00 C ATOM 1197 C ASN A 76 -2.020 -0.540 -14.834 1.00 0.00 C ATOM 1198 O ASN A 76 -1.938 0.550 -15.402 1.00 0.00 O ATOM 1199 CB ASN A 76 -3.032 -2.663 -15.686 1.00 0.00 C ATOM 1200 CG ASN A 76 -3.066 -3.534 -16.927 1.00 0.00 C ATOM 1201 OD1 ASN A 76 -2.143 -3.511 -17.741 1.00 0.00 O ATOM 1202 ND2 ASN A 76 -4.135 -4.307 -17.078 1.00 0.00 N ATOM 0 H ASN A 76 -1.008 -3.505 -14.554 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.407 -1.589 -16.593 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -3.125 -3.292 -14.801 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.892 -1.993 -15.692 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -4.214 -4.914 -17.894 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -4.877 -4.294 -16.378 1.00 0.00 H new ATOM 1209 N LEU A 77 -2.345 -0.664 -13.552 1.00 0.00 N ATOM 1210 CA LEU A 77 -2.629 0.499 -12.718 1.00 0.00 C ATOM 1211 C LEU A 77 -1.429 1.440 -12.668 1.00 0.00 C ATOM 1212 O LEU A 77 -1.573 2.634 -12.408 1.00 0.00 O ATOM 1213 CB LEU A 77 -3.005 0.057 -11.303 1.00 0.00 C ATOM 1214 CG LEU A 77 -4.130 -0.973 -11.198 1.00 0.00 C ATOM 1215 CD1 LEU A 77 -4.370 -1.354 -9.745 1.00 0.00 C ATOM 1216 CD2 LEU A 77 -5.406 -0.434 -11.827 1.00 0.00 C ATOM 0 H LEU A 77 -2.418 -1.558 -13.067 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.469 1.035 -13.159 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.117 -0.355 -10.825 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.294 0.940 -10.733 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.830 -1.868 -11.743 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.174 -2.088 -9.689 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.459 -1.781 -9.326 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.649 -0.466 -9.177 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.196 -1.180 -11.743 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.710 0.476 -11.310 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.227 -0.211 -12.879 1.00 0.00 H new ATOM 1228 N LYS A 78 -0.245 0.893 -12.921 1.00 0.00 N ATOM 1229 CA LYS A 78 0.981 1.683 -12.908 1.00 0.00 C ATOM 1230 C LYS A 78 1.041 2.613 -14.115 1.00 0.00 C ATOM 1231 O LYS A 78 1.290 3.811 -13.978 1.00 0.00 O ATOM 1232 CB LYS A 78 2.204 0.763 -12.898 1.00 0.00 C ATOM 1233 CG LYS A 78 2.635 0.339 -11.505 1.00 0.00 C ATOM 1234 CD LYS A 78 3.818 -0.614 -11.553 1.00 0.00 C ATOM 1235 CE LYS A 78 5.135 0.138 -11.658 1.00 0.00 C ATOM 1236 NZ LYS A 78 5.473 0.845 -10.392 1.00 0.00 N ATOM 0 H LYS A 78 -0.108 -0.094 -13.138 1.00 0.00 H new ATOM 0 HA LYS A 78 0.983 2.290 -12.003 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.983 -0.127 -13.488 1.00 0.00 H new ATOM 0 HB3 LYS A 78 3.035 1.272 -13.387 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.900 1.220 -10.921 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.800 -0.142 -10.995 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.823 -1.235 -10.657 1.00 0.00 H new ATOM 0 HD3 LYS A 78 3.712 -1.285 -12.406 1.00 0.00 H new ATOM 0 HE2 LYS A 78 5.933 -0.561 -11.908 1.00 0.00 H new ATOM 0 HE3 LYS A 78 5.077 0.860 -12.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.442 1.217 -10.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 4.809 1.632 -10.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.404 0.181 -9.595 1.00 0.00 H new ATOM 1250 N THR A 79 0.810 2.055 -15.300 1.00 0.00 N ATOM 1251 CA THR A 79 0.838 2.834 -16.531 1.00 0.00 C ATOM 1252 C THR A 79 -0.249 3.903 -16.529 1.00 0.00 C ATOM 1253 O THR A 79 0.007 5.062 -16.852 1.00 0.00 O ATOM 1254 CB THR A 79 0.657 1.936 -17.769 1.00 0.00 C ATOM 1255 OG1 THR A 79 -0.592 1.239 -17.690 1.00 0.00 O ATOM 1256 CG2 THR A 79 1.796 0.934 -17.881 1.00 0.00 C ATOM 0 H THR A 79 0.601 1.065 -15.432 1.00 0.00 H new ATOM 0 HA THR A 79 1.816 3.313 -16.580 1.00 0.00 H new ATOM 0 HB THR A 79 0.663 2.570 -18.655 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.788 1.025 -16.754 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.647 0.311 -18.763 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.742 1.467 -17.970 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.816 0.305 -16.991 1.00 0.00 H new ATOM 1264 N MET A 80 -1.464 3.505 -16.164 1.00 0.00 N ATOM 1265 CA MET A 80 -2.590 4.430 -16.119 1.00 0.00 C ATOM 1266 C MET A 80 -2.138 5.813 -15.660 1.00 0.00 C ATOM 1267 O MET A 80 -2.411 6.816 -16.319 1.00 0.00 O ATOM 1268 CB MET A 80 -3.677 3.899 -15.183 1.00 0.00 C ATOM 1269 CG MET A 80 -4.888 4.812 -15.078 1.00 0.00 C ATOM 1270 SD MET A 80 -5.737 4.661 -13.495 1.00 0.00 S ATOM 1271 CE MET A 80 -6.398 3.001 -13.622 1.00 0.00 C ATOM 0 H MET A 80 -1.693 2.548 -15.895 1.00 0.00 H new ATOM 0 HA MET A 80 -2.999 4.516 -17.126 1.00 0.00 H new ATOM 0 HB2 MET A 80 -4.000 2.919 -15.534 1.00 0.00 H new ATOM 0 HB3 MET A 80 -3.252 3.757 -14.189 1.00 0.00 H new ATOM 0 HG2 MET A 80 -4.572 5.846 -15.219 1.00 0.00 H new ATOM 0 HG3 MET A 80 -5.585 4.579 -15.883 1.00 0.00 H new ATOM 0 HE1 MET A 80 -7.487 3.042 -13.620 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.054 2.542 -14.549 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.056 2.407 -12.774 1.00 0.00 H new ATOM 1281 N GLY A 81 -1.447 5.860 -14.525 1.00 0.00 N ATOM 1282 CA GLY A 81 -0.970 7.125 -13.998 1.00 0.00 C ATOM 1283 C GLY A 81 0.115 7.740 -14.860 1.00 0.00 C ATOM 1284 O GLY A 81 1.191 7.164 -15.020 1.00 0.00 O ATOM 0 H GLY A 81 -1.209 5.044 -13.961 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.805 7.821 -13.920 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.586 6.973 -12.989 1.00 0.00 H new ATOM 1288 N ARG A 82 -0.168 8.912 -15.419 1.00 0.00 N ATOM 1289 CA ARG A 82 0.791 9.604 -16.271 1.00 0.00 C ATOM 1290 C ARG A 82 0.561 11.112 -16.236 1.00 0.00 C ATOM 1291 O ARG A 82 -0.572 11.581 -16.351 1.00 0.00 O ATOM 1292 CB ARG A 82 0.686 9.095 -17.710 1.00 0.00 C ATOM 1293 CG ARG A 82 1.995 9.169 -18.479 1.00 0.00 C ATOM 1294 CD ARG A 82 2.925 8.025 -18.107 1.00 0.00 C ATOM 1295 NE ARG A 82 4.330 8.382 -18.284 1.00 0.00 N ATOM 1296 CZ ARG A 82 5.335 7.696 -17.753 1.00 0.00 C ATOM 1297 NH1 ARG A 82 5.092 6.621 -17.016 1.00 0.00 N ATOM 1298 NH2 ARG A 82 6.587 8.084 -17.959 1.00 0.00 N ATOM 0 H ARG A 82 -1.054 9.402 -15.297 1.00 0.00 H new ATOM 0 HA ARG A 82 1.792 9.398 -15.891 1.00 0.00 H new ATOM 0 HB2 ARG A 82 0.340 8.061 -17.697 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.069 9.677 -18.238 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.791 9.140 -19.549 1.00 0.00 H new ATOM 0 HG3 ARG A 82 2.486 10.120 -18.273 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.751 7.740 -17.069 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.692 7.154 -18.720 1.00 0.00 H new ATOM 0 HE ARG A 82 4.551 9.204 -18.847 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.131 6.319 -16.856 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.866 6.096 -16.609 1.00 0.00 H new ATOM 0 HH21 ARG A 82 6.778 8.910 -18.526 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.358 7.556 -17.550 1.00 0.00 H new ATOM 1312 N LEU A 83 1.643 11.866 -16.074 1.00 0.00 N ATOM 1313 CA LEU A 83 1.560 13.321 -16.022 1.00 0.00 C ATOM 1314 C LEU A 83 1.567 13.917 -17.426 1.00 0.00 C ATOM 1315 O LEU A 83 2.241 13.411 -18.323 1.00 0.00 O ATOM 1316 CB LEU A 83 2.724 13.890 -15.209 1.00 0.00 C ATOM 1317 CG LEU A 83 3.057 13.155 -13.910 1.00 0.00 C ATOM 1318 CD1 LEU A 83 4.346 13.692 -13.308 1.00 0.00 C ATOM 1319 CD2 LEU A 83 1.910 13.282 -12.917 1.00 0.00 C ATOM 0 H LEU A 83 2.588 11.494 -15.976 1.00 0.00 H new ATOM 0 HA LEU A 83 0.621 13.589 -15.537 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.613 13.894 -15.839 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.499 14.929 -14.968 1.00 0.00 H new ATOM 0 HG LEU A 83 3.199 12.099 -14.139 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.567 13.157 -12.384 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.164 13.550 -14.014 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.232 14.755 -13.093 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.164 12.753 -11.998 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.737 14.335 -12.694 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.007 12.849 -13.347 1.00 0.00 H new ATOM 1331 N SER A 84 0.813 14.997 -17.609 1.00 0.00 N ATOM 1332 CA SER A 84 0.731 15.662 -18.904 1.00 0.00 C ATOM 1333 C SER A 84 1.858 16.677 -19.066 1.00 0.00 C ATOM 1334 O SER A 84 1.693 17.859 -18.762 1.00 0.00 O ATOM 1335 CB SER A 84 -0.623 16.356 -19.060 1.00 0.00 C ATOM 1336 OG SER A 84 -1.689 15.453 -18.827 1.00 0.00 O ATOM 0 H SER A 84 0.250 15.430 -16.876 1.00 0.00 H new ATOM 0 HA SER A 84 0.834 14.904 -19.681 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.690 17.190 -18.362 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.708 16.773 -20.064 1.00 0.00 H new ATOM 0 HG SER A 84 -2.543 15.922 -18.931 1.00 0.00 H new ATOM 1342 N LEU A 85 3.004 16.208 -19.548 1.00 0.00 N ATOM 1343 CA LEU A 85 4.160 17.074 -19.751 1.00 0.00 C ATOM 1344 C LEU A 85 4.084 17.775 -21.104 1.00 0.00 C ATOM 1345 O LEU A 85 3.910 18.991 -21.176 1.00 0.00 O ATOM 1346 CB LEU A 85 5.453 16.263 -19.656 1.00 0.00 C ATOM 1347 CG LEU A 85 6.731 17.063 -19.404 1.00 0.00 C ATOM 1348 CD1 LEU A 85 7.857 16.145 -18.955 1.00 0.00 C ATOM 1349 CD2 LEU A 85 7.134 17.831 -20.655 1.00 0.00 C ATOM 0 H LEU A 85 3.157 15.233 -19.805 1.00 0.00 H new ATOM 0 HA LEU A 85 4.156 17.833 -18.968 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.342 15.532 -18.855 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.576 15.703 -20.583 1.00 0.00 H new ATOM 0 HG LEU A 85 6.536 17.781 -18.607 1.00 0.00 H new ATOM 0 HD11 LEU A 85 8.758 16.733 -18.781 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.569 15.640 -18.033 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.052 15.403 -19.729 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.046 18.395 -20.458 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.310 17.130 -21.471 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.335 18.518 -20.933 1.00 0.00 H new TER 1361 LEU A 85