USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 753 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 52 SER OG : rot -20:sc= -0.0187 USER MOD Set 1.2: A 97 TYR OH : rot -161:sc= 0.311! USER MOD Set 2.1: A 5 SER OG : rot -100:sc= -0.0482 USER MOD Set 2.2: A 41 SER OG : rot 161:sc= 0.583 USER MOD Single : A 1 MET CE :methyl 171:sc= -31! (180deg=-31.4!) USER MOD Single : A 1 MET N :NH3+ -107:sc= 0.0549 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -138:sc= -1.09 (180deg=-1.79) USER MOD Single : A 6 GLN : amide:sc= -0.44 X(o=-0.44,f=-0.11) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0618 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -1.79 K(o=-1.8,f=-3!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -160:sc= -0.145 (180deg=-0.842) USER MOD Single : A 22 LYS NZ :NH3+ -131:sc= 0.566 (180deg=-1.38!) USER MOD Single : A 24 ASN : amide:sc= -3.56! C(o=-3.6!,f=-11!) USER MOD Single : A 28 SER OG : rot -68:sc= 0.854 USER MOD Single : A 29 LYS NZ :NH3+ -118:sc= -0.165 (180deg=-1.19) USER MOD Single : A 33 GLN : amide:sc= -3.9 K(o=-3.9,f=-11!) USER MOD Single : A 34 CYS SG : rot 87:sc= -0.482 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 62:sc= 1.28 USER MOD Single : A 42 ASN : amide:sc= -0.416 X(o=-0.42,f=-0.095) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.304 X(o=-0.3,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= -2.72! USER MOD Single : A 55 SER OG : rot 180:sc= 0.0793 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 103:sc= 1.3 USER MOD Single : A 73 MET CE :methyl 140:sc= -11.2! (180deg=-14.2!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.676 X(o=-0.68,f=-0.36) USER MOD Single : A 81 GLN : amide:sc= -0.212 X(o=-0.21,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.374) USER MOD Single : A 86 ASN : amide:sc= -1.07 K(o=-1.1,f=-2.8!) USER MOD Single : A 88 ASN : amide:sc= -1.82! C(o=-1.8!,f=-4.2!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0914 USER MOD Single : A 93 LYS NZ :NH3+ -126:sc= -3.35! (180deg=-5.92!) USER MOD Single : A 96 LYS NZ :NH3+ -123:sc= -0.99 (180deg=-4.74!) USER MOD Single : A 101 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.151) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.213 5.225 13.891 1.00 0.00 N ATOM 2 CA MET A 1 4.971 5.736 12.516 1.00 0.00 C ATOM 3 C MET A 1 4.752 7.230 12.505 1.00 0.00 C ATOM 4 O MET A 1 4.655 7.877 13.549 1.00 0.00 O ATOM 5 CB MET A 1 3.701 5.097 11.951 1.00 0.00 C ATOM 6 CG MET A 1 3.904 3.754 11.311 1.00 0.00 C ATOM 7 SD MET A 1 3.037 2.468 12.193 1.00 0.00 S ATOM 8 CE MET A 1 2.624 1.433 10.810 1.00 0.00 C ATOM 0 H1 MET A 1 6.217 4.974 13.996 1.00 0.00 H new ATOM 0 H2 MET A 1 4.966 5.961 14.583 1.00 0.00 H new ATOM 0 H3 MET A 1 4.626 4.382 14.057 1.00 0.00 H new ATOM 0 HA MET A 1 5.851 5.489 11.922 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.974 4.994 12.756 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.267 5.773 11.214 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.556 3.786 10.279 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.969 3.522 11.281 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.214 0.490 11.171 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.884 1.936 10.188 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.520 1.237 10.221 1.00 0.00 H new ATOM 20 N ASP A 2 4.592 7.749 11.304 1.00 0.00 N ATOM 21 CA ASP A 2 4.285 9.143 11.112 1.00 0.00 C ATOM 22 C ASP A 2 2.783 9.238 10.950 1.00 0.00 C ATOM 23 O ASP A 2 2.083 8.245 11.142 1.00 0.00 O ATOM 24 CB ASP A 2 5.005 9.698 9.888 1.00 0.00 C ATOM 25 CG ASP A 2 6.404 10.183 10.210 1.00 0.00 C ATOM 26 OD1 ASP A 2 6.594 10.769 11.296 1.00 0.00 O ATOM 27 OD2 ASP A 2 7.311 9.976 9.376 1.00 0.00 O ATOM 0 H ASP A 2 4.672 7.214 10.439 1.00 0.00 H new ATOM 0 HA ASP A 2 4.621 9.736 11.963 1.00 0.00 H new ATOM 0 HB2 ASP A 2 5.059 8.926 9.121 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.425 10.521 9.471 1.00 0.00 H new ATOM 32 N ILE A 3 2.276 10.401 10.614 1.00 0.00 N ATOM 33 CA ILE A 3 0.843 10.562 10.457 1.00 0.00 C ATOM 34 C ILE A 3 0.349 9.963 9.152 1.00 0.00 C ATOM 35 O ILE A 3 -0.550 9.122 9.146 1.00 0.00 O ATOM 36 CB ILE A 3 0.457 12.046 10.537 1.00 0.00 C ATOM 37 CG1 ILE A 3 0.325 12.499 11.999 1.00 0.00 C ATOM 38 CG2 ILE A 3 -0.829 12.318 9.773 1.00 0.00 C ATOM 39 CD1 ILE A 3 0.982 11.569 13.001 1.00 0.00 C ATOM 0 H ILE A 3 2.825 11.244 10.445 1.00 0.00 H new ATOM 0 HA ILE A 3 0.363 10.023 11.274 1.00 0.00 H new ATOM 0 HB ILE A 3 1.255 12.624 10.071 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.763 13.492 12.101 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.733 12.591 12.245 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.079 13.376 9.846 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.694 12.049 8.725 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.638 11.724 10.199 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.842 11.962 14.008 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.529 10.580 12.931 1.00 0.00 H new ATOM 0 HD13 ILE A 3 2.048 11.496 12.785 1.00 0.00 H new ATOM 51 N LYS A 4 0.931 10.400 8.050 1.00 0.00 N ATOM 52 CA LYS A 4 0.523 9.891 6.742 1.00 0.00 C ATOM 53 C LYS A 4 0.576 8.367 6.739 1.00 0.00 C ATOM 54 O LYS A 4 -0.189 7.707 6.034 1.00 0.00 O ATOM 55 CB LYS A 4 1.365 10.472 5.598 1.00 0.00 C ATOM 56 CG LYS A 4 2.787 10.825 5.977 1.00 0.00 C ATOM 57 CD LYS A 4 3.513 9.631 6.552 1.00 0.00 C ATOM 58 CE LYS A 4 4.932 9.977 6.914 1.00 0.00 C ATOM 59 NZ LYS A 4 5.681 10.550 5.763 1.00 0.00 N ATOM 0 H LYS A 4 1.677 11.095 8.027 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.503 10.215 6.567 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.389 9.751 4.780 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.871 11.367 5.220 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.320 11.190 5.099 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.781 11.636 6.706 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.986 9.274 7.437 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.508 8.816 5.828 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.931 10.692 7.737 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.443 9.082 7.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.640 10.148 5.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.186 10.320 4.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.742 11.583 5.868 1.00 0.00 H new ATOM 73 N SER A 5 1.463 7.818 7.563 1.00 0.00 N ATOM 74 CA SER A 5 1.601 6.381 7.701 1.00 0.00 C ATOM 75 C SER A 5 0.593 5.874 8.717 1.00 0.00 C ATOM 76 O SER A 5 0.003 4.816 8.553 1.00 0.00 O ATOM 77 CB SER A 5 3.022 6.016 8.135 1.00 0.00 C ATOM 78 OG SER A 5 3.931 7.059 7.829 1.00 0.00 O ATOM 0 H SER A 5 2.101 8.357 8.149 1.00 0.00 H new ATOM 0 HA SER A 5 1.410 5.910 6.737 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.039 5.817 9.207 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.334 5.099 7.636 1.00 0.00 H new ATOM 0 HG SER A 5 4.415 6.840 7.006 1.00 0.00 H new ATOM 84 N GLN A 6 0.426 6.652 9.778 1.00 0.00 N ATOM 85 CA GLN A 6 -0.487 6.332 10.867 1.00 0.00 C ATOM 86 C GLN A 6 -1.873 5.940 10.404 1.00 0.00 C ATOM 87 O GLN A 6 -2.391 4.904 10.803 1.00 0.00 O ATOM 88 CB GLN A 6 -0.609 7.539 11.786 1.00 0.00 C ATOM 89 CG GLN A 6 -0.513 7.194 13.245 1.00 0.00 C ATOM 90 CD GLN A 6 -1.258 8.177 14.120 1.00 0.00 C ATOM 91 OE1 GLN A 6 -0.711 8.704 15.089 1.00 0.00 O ATOM 92 NE2 GLN A 6 -2.514 8.428 13.780 1.00 0.00 N ATOM 0 H GLN A 6 0.926 7.532 9.908 1.00 0.00 H new ATOM 0 HA GLN A 6 -0.064 5.469 11.382 1.00 0.00 H new ATOM 0 HB2 GLN A 6 0.174 8.255 11.538 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -1.563 8.033 11.600 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.913 6.193 13.406 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.536 7.170 13.542 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -2.924 7.967 12.968 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -3.070 9.082 14.330 1.00 0.00 H new ATOM 101 N THR A 7 -2.489 6.778 9.598 1.00 0.00 N ATOM 102 CA THR A 7 -3.825 6.491 9.135 1.00 0.00 C ATOM 103 C THR A 7 -3.781 5.430 8.073 1.00 0.00 C ATOM 104 O THR A 7 -4.607 4.522 8.062 1.00 0.00 O ATOM 105 CB THR A 7 -4.540 7.736 8.644 1.00 0.00 C ATOM 106 OG1 THR A 7 -3.733 8.889 8.807 1.00 0.00 O ATOM 107 CG2 THR A 7 -5.831 7.954 9.391 1.00 0.00 C ATOM 0 H THR A 7 -2.091 7.652 9.255 1.00 0.00 H new ATOM 0 HA THR A 7 -4.402 6.118 9.981 1.00 0.00 H new ATOM 0 HB THR A 7 -4.749 7.580 7.586 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.217 9.676 8.481 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.320 8.853 9.017 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.487 7.096 9.243 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.621 8.071 10.454 1.00 0.00 H new ATOM 115 N LEU A 8 -2.781 5.505 7.212 1.00 0.00 N ATOM 116 CA LEU A 8 -2.626 4.488 6.201 1.00 0.00 C ATOM 117 C LEU A 8 -2.326 3.177 6.917 1.00 0.00 C ATOM 118 O LEU A 8 -2.716 2.098 6.470 1.00 0.00 O ATOM 119 CB LEU A 8 -1.527 4.865 5.199 1.00 0.00 C ATOM 120 CG LEU A 8 -0.200 4.121 5.359 1.00 0.00 C ATOM 121 CD1 LEU A 8 -0.312 2.711 4.793 1.00 0.00 C ATOM 122 CD2 LEU A 8 0.927 4.886 4.680 1.00 0.00 C ATOM 0 H LEU A 8 -2.080 6.246 7.195 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.539 4.386 5.614 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.903 4.687 4.191 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.335 5.935 5.283 1.00 0.00 H new ATOM 0 HG LEU A 8 0.031 4.048 6.422 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.640 2.194 4.914 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.091 2.166 5.326 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.565 2.763 3.734 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.863 4.341 4.804 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.707 4.991 3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.019 5.874 5.131 1.00 0.00 H new ATOM 134 N TYR A 9 -1.666 3.303 8.072 1.00 0.00 N ATOM 135 CA TYR A 9 -1.349 2.170 8.908 1.00 0.00 C ATOM 136 C TYR A 9 -2.621 1.649 9.537 1.00 0.00 C ATOM 137 O TYR A 9 -3.069 0.541 9.263 1.00 0.00 O ATOM 138 CB TYR A 9 -0.421 2.595 10.012 1.00 0.00 C ATOM 139 CG TYR A 9 -0.118 1.497 10.986 1.00 0.00 C ATOM 140 CD1 TYR A 9 -0.154 0.150 10.614 1.00 0.00 C ATOM 141 CD2 TYR A 9 0.269 1.820 12.269 1.00 0.00 C ATOM 142 CE1 TYR A 9 0.200 -0.833 11.526 1.00 0.00 C ATOM 143 CE2 TYR A 9 0.618 0.850 13.177 1.00 0.00 C ATOM 144 CZ TYR A 9 0.588 -0.477 12.803 1.00 0.00 C ATOM 145 OH TYR A 9 0.939 -1.451 13.709 1.00 0.00 O ATOM 0 H TYR A 9 -1.342 4.197 8.442 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.876 1.399 8.299 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.512 2.952 9.576 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -0.865 3.434 10.547 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -0.458 -0.126 9.615 1.00 0.00 H new ATOM 0 HD2 TYR A 9 0.298 2.858 12.567 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.172 -1.874 11.239 1.00 0.00 H new ATOM 0 HE2 TYR A 9 0.914 1.125 14.178 1.00 0.00 H new ATOM 0 HH TYR A 9 1.187 -1.032 14.560 1.00 0.00 H new ATOM 155 N LEU A 10 -3.213 2.488 10.381 1.00 0.00 N ATOM 156 CA LEU A 10 -4.455 2.145 11.039 1.00 0.00 C ATOM 157 C LEU A 10 -5.441 1.664 9.995 1.00 0.00 C ATOM 158 O LEU A 10 -6.234 0.758 10.240 1.00 0.00 O ATOM 159 CB LEU A 10 -5.017 3.354 11.789 1.00 0.00 C ATOM 160 CG LEU A 10 -4.437 3.571 13.187 1.00 0.00 C ATOM 161 CD1 LEU A 10 -5.062 4.795 13.837 1.00 0.00 C ATOM 162 CD2 LEU A 10 -4.658 2.334 14.046 1.00 0.00 C ATOM 0 H LEU A 10 -2.847 3.409 10.621 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.277 1.354 11.768 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.836 4.249 11.194 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.098 3.241 11.873 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.364 3.742 13.098 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.638 4.935 14.831 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.857 5.675 13.228 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.140 4.653 13.919 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.241 2.501 15.039 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.726 2.136 14.130 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.165 1.478 13.585 1.00 0.00 H new ATOM 174 N ASN A 11 -5.343 2.251 8.806 1.00 0.00 N ATOM 175 CA ASN A 11 -6.187 1.854 7.701 1.00 0.00 C ATOM 176 C ASN A 11 -5.832 0.425 7.320 1.00 0.00 C ATOM 177 O ASN A 11 -6.703 -0.383 7.000 1.00 0.00 O ATOM 178 CB ASN A 11 -5.998 2.784 6.501 1.00 0.00 C ATOM 179 CG ASN A 11 -6.840 4.041 6.602 1.00 0.00 C ATOM 180 OD1 ASN A 11 -7.917 4.036 7.197 1.00 0.00 O ATOM 181 ND2 ASN A 11 -6.350 5.129 6.017 1.00 0.00 N ATOM 0 H ASN A 11 -4.686 3.001 8.590 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.233 1.918 8.002 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -4.947 3.060 6.422 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -6.257 2.250 5.587 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -6.871 6.005 6.051 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -5.452 5.088 5.534 1.00 0.00 H new ATOM 188 N LEU A 12 -4.533 0.114 7.395 1.00 0.00 N ATOM 189 CA LEU A 12 -4.054 -1.225 7.097 1.00 0.00 C ATOM 190 C LEU A 12 -4.751 -2.222 8.006 1.00 0.00 C ATOM 191 O LEU A 12 -5.332 -3.198 7.547 1.00 0.00 O ATOM 192 CB LEU A 12 -2.531 -1.334 7.251 1.00 0.00 C ATOM 193 CG LEU A 12 -1.727 -0.970 5.998 1.00 0.00 C ATOM 194 CD1 LEU A 12 -0.287 -0.659 6.364 1.00 0.00 C ATOM 195 CD2 LEU A 12 -1.783 -2.087 4.967 1.00 0.00 C ATOM 0 H LEU A 12 -3.802 0.775 7.659 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.289 -1.448 6.056 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.216 -0.685 8.068 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.282 -2.355 7.541 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.176 -0.080 5.556 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.270 -0.403 5.463 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.261 0.181 7.058 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.166 -1.532 6.834 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.204 -1.801 4.089 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.366 -2.999 5.395 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.819 -2.263 4.677 1.00 0.00 H new ATOM 207 N SER A 13 -4.710 -1.949 9.301 1.00 0.00 N ATOM 208 CA SER A 13 -5.355 -2.810 10.278 1.00 0.00 C ATOM 209 C SER A 13 -6.856 -2.855 10.052 1.00 0.00 C ATOM 210 O SER A 13 -7.479 -3.913 10.143 1.00 0.00 O ATOM 211 CB SER A 13 -5.056 -2.315 11.691 1.00 0.00 C ATOM 212 OG SER A 13 -3.741 -2.661 12.087 1.00 0.00 O ATOM 0 H SER A 13 -4.237 -1.138 9.699 1.00 0.00 H new ATOM 0 HA SER A 13 -4.959 -3.818 10.159 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.179 -1.233 11.734 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.774 -2.745 12.389 1.00 0.00 H new ATOM 0 HG SER A 13 -3.575 -2.331 12.995 1.00 0.00 H new ATOM 218 N GLU A 14 -7.430 -1.702 9.757 1.00 0.00 N ATOM 219 CA GLU A 14 -8.862 -1.609 9.516 1.00 0.00 C ATOM 220 C GLU A 14 -9.245 -2.329 8.236 1.00 0.00 C ATOM 221 O GLU A 14 -10.340 -2.879 8.118 1.00 0.00 O ATOM 222 CB GLU A 14 -9.318 -0.156 9.451 1.00 0.00 C ATOM 223 CG GLU A 14 -8.868 0.679 10.637 1.00 0.00 C ATOM 224 CD GLU A 14 -10.029 1.239 11.434 1.00 0.00 C ATOM 225 OE1 GLU A 14 -10.928 1.854 10.822 1.00 0.00 O ATOM 226 OE2 GLU A 14 -10.040 1.064 12.671 1.00 0.00 O ATOM 0 H GLU A 14 -6.929 -0.817 9.678 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.365 -2.092 10.354 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.936 0.295 8.535 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.406 -0.128 9.390 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.245 0.068 11.291 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.247 1.501 10.282 1.00 0.00 H new ATOM 233 N ALA A 15 -8.330 -2.341 7.286 1.00 0.00 N ATOM 234 CA ALA A 15 -8.566 -3.025 6.028 1.00 0.00 C ATOM 235 C ALA A 15 -8.364 -4.497 6.211 1.00 0.00 C ATOM 236 O ALA A 15 -9.177 -5.321 5.808 1.00 0.00 O ATOM 237 CB ALA A 15 -7.655 -2.524 4.958 1.00 0.00 C ATOM 0 H ALA A 15 -7.420 -1.887 7.360 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.593 -2.826 5.721 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.858 -3.057 4.029 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.822 -1.457 4.808 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.619 -2.692 5.254 1.00 0.00 H new ATOM 243 N TYR A 16 -7.258 -4.816 6.845 1.00 0.00 N ATOM 244 CA TYR A 16 -6.925 -6.180 7.128 1.00 0.00 C ATOM 245 C TYR A 16 -8.055 -6.788 7.942 1.00 0.00 C ATOM 246 O TYR A 16 -8.373 -7.971 7.817 1.00 0.00 O ATOM 247 CB TYR A 16 -5.613 -6.217 7.885 1.00 0.00 C ATOM 248 CG TYR A 16 -5.563 -7.315 8.875 1.00 0.00 C ATOM 249 CD1 TYR A 16 -5.440 -8.604 8.440 1.00 0.00 C ATOM 250 CD2 TYR A 16 -5.655 -7.059 10.219 1.00 0.00 C ATOM 251 CE1 TYR A 16 -5.401 -9.655 9.312 1.00 0.00 C ATOM 252 CE2 TYR A 16 -5.618 -8.100 11.133 1.00 0.00 C ATOM 253 CZ TYR A 16 -5.489 -9.405 10.671 1.00 0.00 C ATOM 254 OH TYR A 16 -5.451 -10.449 11.567 1.00 0.00 O ATOM 0 H TYR A 16 -6.572 -4.136 7.174 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.804 -6.757 6.211 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.792 -6.332 7.178 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.464 -5.265 8.395 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.372 -8.797 7.380 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.757 -6.042 10.567 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.303 -10.667 8.946 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -5.689 -7.900 12.192 1.00 0.00 H new ATOM 0 HH TYR A 16 -5.523 -10.100 12.480 1.00 0.00 H new ATOM 264 N LYS A 17 -8.688 -5.935 8.738 1.00 0.00 N ATOM 265 CA LYS A 17 -9.821 -6.336 9.537 1.00 0.00 C ATOM 266 C LYS A 17 -11.103 -6.136 8.725 1.00 0.00 C ATOM 267 O LYS A 17 -12.208 -6.182 9.265 1.00 0.00 O ATOM 268 CB LYS A 17 -9.864 -5.563 10.867 1.00 0.00 C ATOM 269 CG LYS A 17 -10.680 -4.276 10.833 1.00 0.00 C ATOM 270 CD LYS A 17 -10.383 -3.393 12.037 1.00 0.00 C ATOM 271 CE LYS A 17 -11.533 -2.444 12.347 1.00 0.00 C ATOM 272 NZ LYS A 17 -12.335 -2.109 11.136 1.00 0.00 N ATOM 0 H LYS A 17 -8.427 -4.955 8.842 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.728 -7.392 9.792 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.274 -6.216 11.637 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.843 -5.322 11.164 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.460 -3.729 9.916 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.742 -4.518 10.812 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.186 -4.020 12.907 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.478 -2.816 11.849 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.183 -2.897 13.096 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.136 -1.527 12.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.870 -1.233 11.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.699 -1.975 10.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.997 -2.885 10.932 1.00 0.00 H new ATOM 286 N ASP A 18 -10.937 -5.945 7.407 1.00 0.00 N ATOM 287 CA ASP A 18 -12.064 -5.776 6.507 1.00 0.00 C ATOM 288 C ASP A 18 -12.685 -7.144 6.241 1.00 0.00 C ATOM 289 O ASP A 18 -11.986 -8.076 5.851 1.00 0.00 O ATOM 290 CB ASP A 18 -11.645 -5.142 5.188 1.00 0.00 C ATOM 291 CG ASP A 18 -12.834 -4.719 4.349 1.00 0.00 C ATOM 292 OD1 ASP A 18 -13.431 -5.590 3.682 1.00 0.00 O ATOM 293 OD2 ASP A 18 -13.169 -3.515 4.359 1.00 0.00 O ATOM 0 H ASP A 18 -10.026 -5.905 6.950 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.785 -5.108 6.978 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.017 -4.274 5.388 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.039 -5.850 4.624 1.00 0.00 H new ATOM 298 N PRO A 19 -13.990 -7.294 6.471 1.00 0.00 N ATOM 299 CA PRO A 19 -14.697 -8.569 6.287 1.00 0.00 C ATOM 300 C PRO A 19 -14.340 -9.325 5.008 1.00 0.00 C ATOM 301 O PRO A 19 -14.291 -10.556 5.015 1.00 0.00 O ATOM 302 CB PRO A 19 -16.149 -8.133 6.278 1.00 0.00 C ATOM 303 CG PRO A 19 -16.161 -6.993 7.227 1.00 0.00 C ATOM 304 CD PRO A 19 -14.893 -6.240 6.964 1.00 0.00 C ATOM 0 HA PRO A 19 -14.434 -9.285 7.065 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.474 -7.832 5.282 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -16.813 -8.934 6.602 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -17.034 -6.360 7.068 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.204 -7.342 8.259 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.036 -5.451 6.226 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.508 -5.766 7.867 1.00 0.00 H new ATOM 312 N GLU A 20 -14.087 -8.611 3.913 1.00 0.00 N ATOM 313 CA GLU A 20 -13.739 -9.274 2.667 1.00 0.00 C ATOM 314 C GLU A 20 -12.233 -9.349 2.485 1.00 0.00 C ATOM 315 O GLU A 20 -11.720 -9.670 1.414 1.00 0.00 O ATOM 316 CB GLU A 20 -14.381 -8.555 1.508 1.00 0.00 C ATOM 317 CG GLU A 20 -15.852 -8.875 1.383 1.00 0.00 C ATOM 318 CD GLU A 20 -16.432 -8.473 0.040 1.00 0.00 C ATOM 319 OE1 GLU A 20 -16.554 -7.256 -0.213 1.00 0.00 O ATOM 320 OE2 GLU A 20 -16.762 -9.375 -0.757 1.00 0.00 O ATOM 0 H GLU A 20 -14.116 -7.593 3.866 1.00 0.00 H new ATOM 0 HA GLU A 20 -14.116 -10.296 2.703 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.254 -7.480 1.634 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.871 -8.830 0.585 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -16.000 -9.945 1.531 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -16.398 -8.365 2.176 1.00 0.00 H new ATOM 327 N VAL A 21 -11.557 -9.132 3.589 1.00 0.00 N ATOM 328 CA VAL A 21 -10.116 -9.241 3.684 1.00 0.00 C ATOM 329 C VAL A 21 -9.839 -10.367 4.669 1.00 0.00 C ATOM 330 O VAL A 21 -8.881 -11.128 4.526 1.00 0.00 O ATOM 331 CB VAL A 21 -9.458 -7.933 4.161 1.00 0.00 C ATOM 332 CG1 VAL A 21 -8.006 -8.163 4.556 1.00 0.00 C ATOM 333 CG2 VAL A 21 -9.557 -6.866 3.081 1.00 0.00 C ATOM 0 H VAL A 21 -12.002 -8.868 4.468 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.691 -9.444 2.701 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.994 -7.585 5.044 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.566 -7.223 4.889 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.960 -8.892 5.365 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.451 -8.540 3.697 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.088 -5.947 3.433 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.049 -7.211 2.181 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.606 -6.674 2.854 1.00 0.00 H new ATOM 343 N LYS A 22 -10.751 -10.495 5.640 1.00 0.00 N ATOM 344 CA LYS A 22 -10.703 -11.548 6.628 1.00 0.00 C ATOM 345 C LYS A 22 -10.737 -12.878 5.906 1.00 0.00 C ATOM 346 O LYS A 22 -10.025 -13.821 6.250 1.00 0.00 O ATOM 347 CB LYS A 22 -11.929 -11.450 7.544 1.00 0.00 C ATOM 348 CG LYS A 22 -12.273 -10.047 7.981 1.00 0.00 C ATOM 349 CD LYS A 22 -11.081 -9.329 8.576 1.00 0.00 C ATOM 350 CE LYS A 22 -11.108 -9.372 10.096 1.00 0.00 C ATOM 351 NZ LYS A 22 -12.050 -8.370 10.667 1.00 0.00 N ATOM 0 H LYS A 22 -11.542 -9.861 5.752 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.796 -11.457 7.226 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.788 -11.877 7.027 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.755 -12.061 8.430 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.646 -9.483 7.126 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.078 -10.083 8.715 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.161 -9.787 8.214 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.074 -8.292 8.240 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.397 -10.370 10.425 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.105 -9.187 10.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.572 -7.832 11.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.360 -7.719 9.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.877 -8.859 11.065 1.00 0.00 H new ATOM 365 N ALA A 23 -11.576 -12.921 4.878 1.00 0.00 N ATOM 366 CA ALA A 23 -11.725 -14.111 4.063 1.00 0.00 C ATOM 367 C ALA A 23 -10.521 -14.275 3.148 1.00 0.00 C ATOM 368 O ALA A 23 -10.216 -15.377 2.690 1.00 0.00 O ATOM 369 CB ALA A 23 -13.010 -14.043 3.251 1.00 0.00 C ATOM 0 H ALA A 23 -12.165 -12.139 4.591 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.782 -14.979 4.720 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.106 -14.944 2.645 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.863 -13.967 3.925 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.983 -13.169 2.600 1.00 0.00 H new ATOM 375 N ASN A 24 -9.839 -13.164 2.891 1.00 0.00 N ATOM 376 CA ASN A 24 -8.668 -13.166 2.041 1.00 0.00 C ATOM 377 C ASN A 24 -7.391 -13.088 2.874 1.00 0.00 C ATOM 378 O ASN A 24 -6.798 -12.021 3.024 1.00 0.00 O ATOM 379 CB ASN A 24 -8.735 -12.000 1.053 1.00 0.00 C ATOM 380 CG ASN A 24 -9.034 -12.458 -0.363 1.00 0.00 C ATOM 381 OD1 ASN A 24 -8.465 -11.946 -1.327 1.00 0.00 O ATOM 382 ND2 ASN A 24 -9.932 -13.428 -0.495 1.00 0.00 N ATOM 0 H ASN A 24 -10.085 -12.247 3.265 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.649 -14.101 1.482 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -9.504 -11.298 1.375 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.787 -11.462 1.065 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -10.174 -13.776 -1.423 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.380 -13.824 0.331 1.00 0.00 H new ATOM 389 N GLU A 25 -6.981 -14.232 3.420 1.00 0.00 N ATOM 390 CA GLU A 25 -5.781 -14.309 4.250 1.00 0.00 C ATOM 391 C GLU A 25 -4.609 -13.566 3.622 1.00 0.00 C ATOM 392 O GLU A 25 -3.960 -12.745 4.265 1.00 0.00 O ATOM 393 CB GLU A 25 -5.399 -15.772 4.494 1.00 0.00 C ATOM 394 CG GLU A 25 -4.958 -16.058 5.921 1.00 0.00 C ATOM 395 CD GLU A 25 -5.999 -16.825 6.712 1.00 0.00 C ATOM 396 OE1 GLU A 25 -5.964 -18.073 6.684 1.00 0.00 O ATOM 397 OE2 GLU A 25 -6.850 -16.178 7.356 1.00 0.00 O ATOM 0 H GLU A 25 -7.465 -15.122 3.301 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.010 -13.829 5.201 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.252 -16.406 4.253 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.594 -16.047 3.812 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.029 -16.628 5.903 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.744 -15.116 6.427 1.00 0.00 H new ATOM 404 N PHE A 26 -4.348 -13.861 2.363 1.00 0.00 N ATOM 405 CA PHE A 26 -3.250 -13.228 1.638 1.00 0.00 C ATOM 406 C PHE A 26 -3.306 -11.707 1.770 1.00 0.00 C ATOM 407 O PHE A 26 -2.325 -11.068 2.146 1.00 0.00 O ATOM 408 CB PHE A 26 -3.296 -13.629 0.160 1.00 0.00 C ATOM 409 CG PHE A 26 -2.118 -13.153 -0.650 1.00 0.00 C ATOM 410 CD1 PHE A 26 -0.952 -12.720 -0.033 1.00 0.00 C ATOM 411 CD2 PHE A 26 -2.181 -13.142 -2.035 1.00 0.00 C ATOM 412 CE1 PHE A 26 0.125 -12.287 -0.783 1.00 0.00 C ATOM 413 CE2 PHE A 26 -1.106 -12.711 -2.789 1.00 0.00 C ATOM 414 CZ PHE A 26 0.048 -12.283 -2.162 1.00 0.00 C ATOM 0 H PHE A 26 -4.880 -14.537 1.815 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.313 -13.572 2.075 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.353 -14.715 0.092 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.210 -13.234 -0.283 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.886 -12.722 1.045 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.081 -13.474 -2.531 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.026 -11.952 -0.291 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.168 -12.709 -3.867 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.889 -11.946 -2.749 1.00 0.00 H new ATOM 424 N LEU A 27 -4.462 -11.137 1.452 1.00 0.00 N ATOM 425 CA LEU A 27 -4.660 -9.700 1.523 1.00 0.00 C ATOM 426 C LEU A 27 -4.523 -9.184 2.950 1.00 0.00 C ATOM 427 O LEU A 27 -3.843 -8.187 3.189 1.00 0.00 O ATOM 428 CB LEU A 27 -6.032 -9.342 0.964 1.00 0.00 C ATOM 429 CG LEU A 27 -6.162 -9.523 -0.547 1.00 0.00 C ATOM 430 CD1 LEU A 27 -5.928 -10.971 -0.948 1.00 0.00 C ATOM 431 CD2 LEU A 27 -7.520 -9.035 -1.030 1.00 0.00 C ATOM 0 H LEU A 27 -5.282 -11.657 1.140 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.885 -9.222 0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.784 -9.957 1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.254 -8.305 1.214 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.393 -8.919 -1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.027 -11.070 -2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.926 -11.275 -0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.663 -11.608 -0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.593 -9.172 -2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.308 -9.605 -0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.633 -7.978 -0.790 1.00 0.00 H new ATOM 443 N SER A 28 -5.163 -9.860 3.902 1.00 0.00 N ATOM 444 CA SER A 28 -5.089 -9.452 5.280 1.00 0.00 C ATOM 445 C SER A 28 -3.663 -9.575 5.787 1.00 0.00 C ATOM 446 O SER A 28 -3.075 -8.608 6.262 1.00 0.00 O ATOM 447 CB SER A 28 -6.053 -10.295 6.117 1.00 0.00 C ATOM 448 OG SER A 28 -6.566 -11.387 5.374 1.00 0.00 O ATOM 0 H SER A 28 -5.734 -10.688 3.733 1.00 0.00 H new ATOM 0 HA SER A 28 -5.383 -8.406 5.367 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.538 -10.666 7.003 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.876 -9.671 6.464 1.00 0.00 H new ATOM 0 HG SER A 28 -7.150 -11.052 4.661 1.00 0.00 H new ATOM 454 N LYS A 29 -3.114 -10.767 5.660 1.00 0.00 N ATOM 455 CA LYS A 29 -1.748 -11.040 6.088 1.00 0.00 C ATOM 456 C LYS A 29 -0.774 -10.010 5.524 1.00 0.00 C ATOM 457 O LYS A 29 -0.002 -9.411 6.272 1.00 0.00 O ATOM 458 CB LYS A 29 -1.333 -12.447 5.668 1.00 0.00 C ATOM 459 CG LYS A 29 -2.177 -13.534 6.305 1.00 0.00 C ATOM 460 CD LYS A 29 -1.836 -14.898 5.738 1.00 0.00 C ATOM 461 CE LYS A 29 -1.275 -15.808 6.811 1.00 0.00 C ATOM 462 NZ LYS A 29 -2.220 -15.973 7.951 1.00 0.00 N ATOM 0 H LYS A 29 -3.596 -11.572 5.260 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.717 -10.971 7.175 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.402 -12.531 4.583 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.288 -12.605 5.934 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.018 -13.536 7.383 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.233 -13.322 6.139 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.729 -15.349 5.304 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.110 -14.790 4.932 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.053 -16.784 6.379 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.333 -15.400 7.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.783 -15.605 8.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.096 -15.448 7.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.442 -16.982 8.075 1.00 0.00 H new ATOM 476 N LEU A 30 -0.809 -9.792 4.209 1.00 0.00 N ATOM 477 CA LEU A 30 0.082 -8.816 3.598 1.00 0.00 C ATOM 478 C LEU A 30 -0.116 -7.451 4.234 1.00 0.00 C ATOM 479 O LEU A 30 0.846 -6.787 4.615 1.00 0.00 O ATOM 480 CB LEU A 30 -0.147 -8.749 2.092 1.00 0.00 C ATOM 481 CG LEU A 30 0.805 -9.599 1.243 1.00 0.00 C ATOM 482 CD1 LEU A 30 1.667 -8.709 0.362 1.00 0.00 C ATOM 483 CD2 LEU A 30 1.685 -10.499 2.105 1.00 0.00 C ATOM 0 H LEU A 30 -1.434 -10.270 3.560 1.00 0.00 H new ATOM 0 HA LEU A 30 1.111 -9.130 3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.170 -9.062 1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.060 -7.710 1.774 1.00 0.00 H new ATOM 0 HG LEU A 30 0.193 -10.243 0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.338 -9.327 -0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.028 -8.124 -0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.254 -8.037 0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.345 -11.084 1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.284 -9.886 2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.056 -11.171 2.689 1.00 0.00 H new ATOM 495 N VAL A 31 -1.375 -7.054 4.384 1.00 0.00 N ATOM 496 CA VAL A 31 -1.698 -5.785 5.018 1.00 0.00 C ATOM 497 C VAL A 31 -1.124 -5.782 6.426 1.00 0.00 C ATOM 498 O VAL A 31 -0.580 -4.783 6.886 1.00 0.00 O ATOM 499 CB VAL A 31 -3.222 -5.564 5.079 1.00 0.00 C ATOM 500 CG1 VAL A 31 -3.559 -4.340 5.916 1.00 0.00 C ATOM 501 CG2 VAL A 31 -3.796 -5.435 3.677 1.00 0.00 C ATOM 0 H VAL A 31 -2.185 -7.592 4.076 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.265 -4.977 4.429 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.675 -6.432 5.557 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.640 -4.205 5.944 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.184 -4.478 6.930 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.095 -3.458 5.475 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.873 -5.279 3.738 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.335 -4.587 3.172 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.592 -6.347 3.115 1.00 0.00 H new ATOM 511 N VAL A 32 -1.232 -6.931 7.087 1.00 0.00 N ATOM 512 CA VAL A 32 -0.709 -7.100 8.434 1.00 0.00 C ATOM 513 C VAL A 32 0.798 -6.922 8.440 1.00 0.00 C ATOM 514 O VAL A 32 1.326 -5.959 8.998 1.00 0.00 O ATOM 515 CB VAL A 32 -1.041 -8.495 8.984 1.00 0.00 C ATOM 516 CG1 VAL A 32 -0.622 -8.618 10.440 1.00 0.00 C ATOM 517 CG2 VAL A 32 -2.522 -8.803 8.811 1.00 0.00 C ATOM 0 H VAL A 32 -1.681 -7.764 6.706 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.176 -6.344 9.065 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.475 -9.230 8.412 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.868 -9.615 10.806 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.452 -8.455 10.524 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.150 -7.873 11.035 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.736 -9.796 9.207 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.113 -8.062 9.350 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.779 -8.772 7.752 1.00 0.00 H new ATOM 527 N GLN A 33 1.479 -7.859 7.800 1.00 0.00 N ATOM 528 CA GLN A 33 2.933 -7.824 7.704 1.00 0.00 C ATOM 529 C GLN A 33 3.386 -6.446 7.247 1.00 0.00 C ATOM 530 O GLN A 33 4.334 -5.875 7.785 1.00 0.00 O ATOM 531 CB GLN A 33 3.437 -8.934 6.760 1.00 0.00 C ATOM 532 CG GLN A 33 3.951 -8.457 5.405 1.00 0.00 C ATOM 533 CD GLN A 33 5.431 -8.135 5.423 1.00 0.00 C ATOM 534 OE1 GLN A 33 5.837 -7.047 5.828 1.00 0.00 O ATOM 535 NE2 GLN A 33 6.248 -9.084 4.981 1.00 0.00 N ATOM 0 H GLN A 33 1.047 -8.658 7.336 1.00 0.00 H new ATOM 0 HA GLN A 33 3.366 -8.012 8.687 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.237 -9.479 7.262 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.625 -9.642 6.593 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.760 -9.226 4.657 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.394 -7.571 5.101 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.868 -9.972 4.654 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.255 -8.925 4.969 1.00 0.00 H new ATOM 544 N CYS A 34 2.676 -5.916 6.265 1.00 0.00 N ATOM 545 CA CYS A 34 2.972 -4.598 5.734 1.00 0.00 C ATOM 546 C CYS A 34 2.733 -3.545 6.806 1.00 0.00 C ATOM 547 O CYS A 34 3.524 -2.614 6.973 1.00 0.00 O ATOM 548 CB CYS A 34 2.103 -4.302 4.509 1.00 0.00 C ATOM 549 SG CYS A 34 2.639 -5.146 3.003 1.00 0.00 S ATOM 0 H CYS A 34 1.887 -6.382 5.818 1.00 0.00 H new ATOM 0 HA CYS A 34 4.018 -4.572 5.430 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.075 -4.590 4.728 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.101 -3.227 4.329 1.00 0.00 H new ATOM 0 HG CYS A 34 2.104 -6.330 2.955 1.00 0.00 H new ATOM 555 N ALA A 35 1.638 -3.708 7.547 1.00 0.00 N ATOM 556 CA ALA A 35 1.299 -2.777 8.615 1.00 0.00 C ATOM 557 C ALA A 35 2.444 -2.674 9.608 1.00 0.00 C ATOM 558 O ALA A 35 2.686 -1.620 10.197 1.00 0.00 O ATOM 559 CB ALA A 35 0.017 -3.210 9.313 1.00 0.00 C ATOM 0 H ALA A 35 0.975 -4.473 7.426 1.00 0.00 H new ATOM 0 HA ALA A 35 1.133 -1.792 8.179 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.221 -2.503 10.108 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.800 -3.234 8.592 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.153 -4.204 9.740 1.00 0.00 H new ATOM 565 N GLY A 36 3.158 -3.777 9.768 1.00 0.00 N ATOM 566 CA GLY A 36 4.291 -3.805 10.667 1.00 0.00 C ATOM 567 C GLY A 36 5.506 -3.156 10.044 1.00 0.00 C ATOM 568 O GLY A 36 6.392 -2.673 10.749 1.00 0.00 O ATOM 0 H GLY A 36 2.971 -4.658 9.288 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.036 -3.289 11.593 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.523 -4.837 10.931 1.00 0.00 H new ATOM 572 N LYS A 37 5.541 -3.139 8.715 1.00 0.00 N ATOM 573 CA LYS A 37 6.645 -2.538 7.996 1.00 0.00 C ATOM 574 C LYS A 37 6.553 -1.019 8.040 1.00 0.00 C ATOM 575 O LYS A 37 7.536 -0.325 7.785 1.00 0.00 O ATOM 576 CB LYS A 37 6.669 -3.022 6.541 1.00 0.00 C ATOM 577 CG LYS A 37 6.727 -4.536 6.386 1.00 0.00 C ATOM 578 CD LYS A 37 7.698 -5.176 7.370 1.00 0.00 C ATOM 579 CE LYS A 37 6.971 -5.984 8.434 1.00 0.00 C ATOM 580 NZ LYS A 37 7.918 -6.601 9.405 1.00 0.00 N ATOM 0 H LYS A 37 4.814 -3.536 8.119 1.00 0.00 H new ATOM 0 HA LYS A 37 7.571 -2.845 8.482 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.780 -2.650 6.032 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.531 -2.584 6.038 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.731 -4.954 6.536 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.027 -4.785 5.368 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.389 -5.824 6.830 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.296 -4.400 7.848 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.273 -5.338 8.967 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.380 -6.765 7.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.384 -7.143 10.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.568 -7.237 8.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.464 -5.854 9.880 1.00 0.00 H new ATOM 594 N LEU A 38 5.370 -0.500 8.365 1.00 0.00 N ATOM 595 CA LEU A 38 5.182 0.938 8.435 1.00 0.00 C ATOM 596 C LEU A 38 5.559 1.478 9.804 1.00 0.00 C ATOM 597 O LEU A 38 6.016 2.610 9.919 1.00 0.00 O ATOM 598 CB LEU A 38 3.735 1.286 8.125 1.00 0.00 C ATOM 599 CG LEU A 38 3.398 1.360 6.648 1.00 0.00 C ATOM 600 CD1 LEU A 38 2.808 0.041 6.180 1.00 0.00 C ATOM 601 CD2 LEU A 38 2.452 2.519 6.396 1.00 0.00 C ATOM 0 H LEU A 38 4.539 -1.051 8.581 1.00 0.00 H new ATOM 0 HA LEU A 38 5.836 1.400 7.696 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.090 0.543 8.593 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.501 2.246 8.585 1.00 0.00 H new ATOM 0 HG LEU A 38 4.307 1.536 6.073 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.570 0.105 5.118 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.531 -0.759 6.342 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.899 -0.172 6.743 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.212 2.569 5.334 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.536 2.372 6.968 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.927 3.450 6.705 1.00 0.00 H new ATOM 613 N THR A 39 5.354 0.669 10.845 1.00 0.00 N ATOM 614 CA THR A 39 5.670 1.092 12.203 1.00 0.00 C ATOM 615 C THR A 39 7.084 1.631 12.276 1.00 0.00 C ATOM 616 O THR A 39 7.398 2.475 13.115 1.00 0.00 O ATOM 617 CB THR A 39 5.426 -0.040 13.197 1.00 0.00 C ATOM 618 OG1 THR A 39 5.087 -1.244 12.532 1.00 0.00 O ATOM 619 CG2 THR A 39 4.325 0.273 14.175 1.00 0.00 C ATOM 0 H THR A 39 4.974 -0.275 10.771 1.00 0.00 H new ATOM 0 HA THR A 39 5.001 1.905 12.483 1.00 0.00 H new ATOM 0 HB THR A 39 6.363 -0.155 13.742 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.833 -1.524 11.961 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.195 -0.567 14.858 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.586 1.166 14.743 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.395 0.447 13.633 1.00 0.00 H new ATOM 627 N ALA A 40 7.917 1.191 11.348 1.00 0.00 N ATOM 628 CA ALA A 40 9.267 1.686 11.266 1.00 0.00 C ATOM 629 C ALA A 40 9.329 2.793 10.224 1.00 0.00 C ATOM 630 O ALA A 40 10.348 2.976 9.561 1.00 0.00 O ATOM 631 CB ALA A 40 10.247 0.585 10.912 1.00 0.00 C ATOM 0 H ALA A 40 7.676 0.493 10.645 1.00 0.00 H new ATOM 0 HA ALA A 40 9.551 2.075 12.244 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.254 0.998 10.860 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.213 -0.192 11.676 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.980 0.157 9.946 1.00 0.00 H new ATOM 637 N SER A 41 8.217 3.520 10.067 1.00 0.00 N ATOM 638 CA SER A 41 8.138 4.594 9.090 1.00 0.00 C ATOM 639 C SER A 41 9.322 5.537 9.230 1.00 0.00 C ATOM 640 O SER A 41 9.710 6.198 8.267 1.00 0.00 O ATOM 641 CB SER A 41 6.818 5.349 9.233 1.00 0.00 C ATOM 642 OG SER A 41 6.778 6.481 8.380 1.00 0.00 O ATOM 0 H SER A 41 7.363 3.379 10.607 1.00 0.00 H new ATOM 0 HA SER A 41 8.174 4.157 8.092 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.988 4.683 8.997 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.688 5.666 10.268 1.00 0.00 H new ATOM 0 HG SER A 41 5.848 6.760 8.251 1.00 0.00 H new ATOM 648 N ASN A 42 9.939 5.555 10.413 1.00 0.00 N ATOM 649 CA ASN A 42 11.125 6.373 10.623 1.00 0.00 C ATOM 650 C ASN A 42 12.119 6.062 9.507 1.00 0.00 C ATOM 651 O ASN A 42 12.908 6.910 9.090 1.00 0.00 O ATOM 652 CB ASN A 42 11.739 6.074 11.989 1.00 0.00 C ATOM 653 CG ASN A 42 11.866 7.314 12.852 1.00 0.00 C ATOM 654 OD1 ASN A 42 11.599 7.278 14.053 1.00 0.00 O ATOM 655 ND2 ASN A 42 12.275 8.421 12.243 1.00 0.00 N ATOM 0 H ASN A 42 9.639 5.019 11.227 1.00 0.00 H new ATOM 0 HA ASN A 42 10.862 7.431 10.602 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.125 5.337 12.506 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.724 5.629 11.851 1.00 0.00 H new ATOM 0 HD21 ASN A 42 12.379 9.286 12.773 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.486 8.406 11.245 1.00 0.00 H new ATOM 662 N SER A 43 12.016 4.831 8.999 1.00 0.00 N ATOM 663 CA SER A 43 12.817 4.360 7.907 1.00 0.00 C ATOM 664 C SER A 43 11.964 4.416 6.650 1.00 0.00 C ATOM 665 O SER A 43 11.598 3.384 6.087 1.00 0.00 O ATOM 666 CB SER A 43 13.294 2.931 8.167 1.00 0.00 C ATOM 667 OG SER A 43 13.540 2.716 9.546 1.00 0.00 O ATOM 0 H SER A 43 11.358 4.136 9.353 1.00 0.00 H new ATOM 0 HA SER A 43 13.703 4.985 7.792 1.00 0.00 H new ATOM 0 HB2 SER A 43 12.543 2.224 7.814 1.00 0.00 H new ATOM 0 HB3 SER A 43 14.204 2.739 7.598 1.00 0.00 H new ATOM 0 HG SER A 43 13.842 1.794 9.685 1.00 0.00 H new ATOM 673 N GLU A 44 11.617 5.634 6.233 1.00 0.00 N ATOM 674 CA GLU A 44 10.769 5.823 5.065 1.00 0.00 C ATOM 675 C GLU A 44 11.382 5.158 3.848 1.00 0.00 C ATOM 676 O GLU A 44 10.689 4.817 2.899 1.00 0.00 O ATOM 677 CB GLU A 44 10.533 7.312 4.816 1.00 0.00 C ATOM 678 CG GLU A 44 11.541 7.970 3.893 1.00 0.00 C ATOM 679 CD GLU A 44 11.876 9.385 4.322 1.00 0.00 C ATOM 680 OE1 GLU A 44 11.127 10.312 3.948 1.00 0.00 O ATOM 681 OE2 GLU A 44 12.888 9.567 5.031 1.00 0.00 O ATOM 0 H GLU A 44 11.911 6.499 6.687 1.00 0.00 H new ATOM 0 HA GLU A 44 9.804 5.352 5.254 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.536 7.442 4.394 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.544 7.832 5.774 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.453 7.374 3.871 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.145 7.985 2.878 1.00 0.00 H new ATOM 688 N ASN A 45 12.679 4.939 3.904 1.00 0.00 N ATOM 689 CA ASN A 45 13.366 4.261 2.817 1.00 0.00 C ATOM 690 C ASN A 45 12.876 2.824 2.759 1.00 0.00 C ATOM 691 O ASN A 45 12.646 2.251 1.691 1.00 0.00 O ATOM 692 CB ASN A 45 14.884 4.305 3.021 1.00 0.00 C ATOM 693 CG ASN A 45 15.639 3.565 1.933 1.00 0.00 C ATOM 694 OD1 ASN A 45 16.536 2.770 2.215 1.00 0.00 O ATOM 695 ND2 ASN A 45 15.277 3.824 0.683 1.00 0.00 N ATOM 0 H ASN A 45 13.277 5.217 4.682 1.00 0.00 H new ATOM 0 HA ASN A 45 13.147 4.765 1.875 1.00 0.00 H new ATOM 0 HB2 ASN A 45 15.214 5.344 3.045 1.00 0.00 H new ATOM 0 HB3 ASN A 45 15.130 3.870 3.990 1.00 0.00 H new ATOM 0 HD21 ASN A 45 15.748 3.356 -0.092 1.00 0.00 H new ATOM 0 HD22 ASN A 45 14.528 4.491 0.497 1.00 0.00 H new ATOM 702 N SER A 46 12.682 2.272 3.941 1.00 0.00 N ATOM 703 CA SER A 46 12.181 0.924 4.097 1.00 0.00 C ATOM 704 C SER A 46 10.669 0.914 3.938 1.00 0.00 C ATOM 705 O SER A 46 10.077 -0.065 3.485 1.00 0.00 O ATOM 706 CB SER A 46 12.576 0.388 5.466 1.00 0.00 C ATOM 707 OG SER A 46 11.845 -0.782 5.792 1.00 0.00 O ATOM 0 H SER A 46 12.869 2.750 4.823 1.00 0.00 H new ATOM 0 HA SER A 46 12.615 0.283 3.329 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.643 0.168 5.478 1.00 0.00 H new ATOM 0 HB3 SER A 46 12.399 1.152 6.223 1.00 0.00 H new ATOM 0 HG SER A 46 12.121 -1.104 6.675 1.00 0.00 H new ATOM 713 N TYR A 47 10.065 2.042 4.285 1.00 0.00 N ATOM 714 CA TYR A 47 8.650 2.237 4.166 1.00 0.00 C ATOM 715 C TYR A 47 8.361 2.634 2.729 1.00 0.00 C ATOM 716 O TYR A 47 7.235 2.541 2.266 1.00 0.00 O ATOM 717 CB TYR A 47 8.183 3.259 5.215 1.00 0.00 C ATOM 718 CG TYR A 47 7.242 4.325 4.725 1.00 0.00 C ATOM 719 CD1 TYR A 47 7.693 5.345 3.911 1.00 0.00 C ATOM 720 CD2 TYR A 47 5.910 4.324 5.107 1.00 0.00 C ATOM 721 CE1 TYR A 47 6.845 6.342 3.484 1.00 0.00 C ATOM 722 CE2 TYR A 47 5.048 5.312 4.682 1.00 0.00 C ATOM 723 CZ TYR A 47 5.518 6.321 3.871 1.00 0.00 C ATOM 724 OH TYR A 47 4.661 7.312 3.454 1.00 0.00 O ATOM 0 H TYR A 47 10.561 2.850 4.660 1.00 0.00 H new ATOM 0 HA TYR A 47 8.084 1.329 4.374 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.697 2.719 6.028 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.063 3.745 5.636 1.00 0.00 H new ATOM 0 HD1 TYR A 47 8.728 5.361 3.604 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.541 3.537 5.748 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.214 7.135 2.851 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.011 5.295 4.983 1.00 0.00 H new ATOM 0 HH TYR A 47 3.766 7.144 3.816 1.00 0.00 H new ATOM 734 N ILE A 48 9.439 3.032 2.032 1.00 0.00 N ATOM 735 CA ILE A 48 9.405 3.403 0.623 1.00 0.00 C ATOM 736 C ILE A 48 9.249 2.134 -0.186 1.00 0.00 C ATOM 737 O ILE A 48 8.500 2.078 -1.158 1.00 0.00 O ATOM 738 CB ILE A 48 10.725 4.138 0.221 1.00 0.00 C ATOM 739 CG1 ILE A 48 10.588 5.661 0.331 1.00 0.00 C ATOM 740 CG2 ILE A 48 11.205 3.762 -1.179 1.00 0.00 C ATOM 741 CD1 ILE A 48 9.269 6.120 0.894 1.00 0.00 C ATOM 0 H ILE A 48 10.369 3.103 2.446 1.00 0.00 H new ATOM 0 HA ILE A 48 8.573 4.081 0.433 1.00 0.00 H new ATOM 0 HB ILE A 48 11.477 3.802 0.935 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.392 6.043 0.960 1.00 0.00 H new ATOM 0 HG13 ILE A 48 10.721 6.100 -0.658 1.00 0.00 H new ATOM 0 HG21 ILE A 48 12.125 4.302 -1.405 1.00 0.00 H new ATOM 0 HG22 ILE A 48 11.393 2.689 -1.223 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.440 4.026 -1.909 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.252 7.209 0.939 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.459 5.771 0.254 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.140 5.713 1.897 1.00 0.00 H new ATOM 753 N GLU A 49 9.939 1.099 0.265 1.00 0.00 N ATOM 754 CA GLU A 49 9.855 -0.186 -0.378 1.00 0.00 C ATOM 755 C GLU A 49 8.491 -0.743 -0.102 1.00 0.00 C ATOM 756 O GLU A 49 7.716 -0.981 -1.026 1.00 0.00 O ATOM 757 CB GLU A 49 10.952 -1.131 0.121 1.00 0.00 C ATOM 758 CG GLU A 49 12.204 -0.410 0.597 1.00 0.00 C ATOM 759 CD GLU A 49 13.397 -1.334 0.730 1.00 0.00 C ATOM 760 OE1 GLU A 49 13.369 -2.218 1.611 1.00 0.00 O ATOM 761 OE2 GLU A 49 14.362 -1.173 -0.047 1.00 0.00 O ATOM 0 H GLU A 49 10.560 1.131 1.073 1.00 0.00 H new ATOM 0 HA GLU A 49 10.007 -0.078 -1.452 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.557 -1.734 0.938 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.221 -1.818 -0.681 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.446 0.390 -0.103 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.004 0.059 1.560 1.00 0.00 H new ATOM 768 N VAL A 50 8.165 -0.880 1.177 1.00 0.00 N ATOM 769 CA VAL A 50 6.848 -1.341 1.540 1.00 0.00 C ATOM 770 C VAL A 50 5.819 -0.395 0.927 1.00 0.00 C ATOM 771 O VAL A 50 4.672 -0.771 0.684 1.00 0.00 O ATOM 772 CB VAL A 50 6.655 -1.441 3.071 1.00 0.00 C ATOM 773 CG1 VAL A 50 6.308 -0.089 3.677 1.00 0.00 C ATOM 774 CG2 VAL A 50 5.586 -2.468 3.404 1.00 0.00 C ATOM 0 H VAL A 50 8.787 -0.681 1.961 1.00 0.00 H new ATOM 0 HA VAL A 50 6.716 -2.351 1.151 1.00 0.00 H new ATOM 0 HB VAL A 50 7.600 -1.766 3.507 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.179 -0.195 4.754 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.113 0.617 3.476 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.382 0.281 3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.462 -2.527 4.485 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.642 -2.172 2.946 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.886 -3.443 3.020 1.00 0.00 H new ATOM 784 N ILE A 51 6.267 0.835 0.645 1.00 0.00 N ATOM 785 CA ILE A 51 5.430 1.835 0.027 1.00 0.00 C ATOM 786 C ILE A 51 5.229 1.489 -1.443 1.00 0.00 C ATOM 787 O ILE A 51 4.141 1.673 -1.993 1.00 0.00 O ATOM 788 CB ILE A 51 6.039 3.251 0.211 1.00 0.00 C ATOM 789 CG1 ILE A 51 5.066 4.117 1.011 1.00 0.00 C ATOM 790 CG2 ILE A 51 6.386 3.918 -1.113 1.00 0.00 C ATOM 791 CD1 ILE A 51 3.634 4.057 0.506 1.00 0.00 C ATOM 0 H ILE A 51 7.217 1.150 0.843 1.00 0.00 H new ATOM 0 HA ILE A 51 4.454 1.844 0.513 1.00 0.00 H new ATOM 0 HB ILE A 51 6.977 3.143 0.755 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.087 3.802 2.054 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.408 5.152 0.984 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.808 4.905 -0.924 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.115 3.308 -1.648 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.484 4.019 -1.717 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.003 4.697 1.123 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.598 4.401 -0.528 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.272 3.030 0.560 1.00 0.00 H new ATOM 803 N SER A 52 6.275 0.946 -2.070 1.00 0.00 N ATOM 804 CA SER A 52 6.179 0.544 -3.455 1.00 0.00 C ATOM 805 C SER A 52 5.334 -0.712 -3.550 1.00 0.00 C ATOM 806 O SER A 52 4.601 -0.922 -4.516 1.00 0.00 O ATOM 807 CB SER A 52 7.552 0.308 -4.073 1.00 0.00 C ATOM 808 OG SER A 52 8.215 -0.768 -3.444 1.00 0.00 O ATOM 0 H SER A 52 7.184 0.780 -1.638 1.00 0.00 H new ATOM 0 HA SER A 52 5.709 1.351 -4.016 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.444 0.100 -5.138 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.154 1.212 -3.984 1.00 0.00 H new ATOM 0 HG SER A 52 7.812 -0.932 -2.566 1.00 0.00 H new ATOM 814 N LEU A 53 5.445 -1.539 -2.515 1.00 0.00 N ATOM 815 CA LEU A 53 4.697 -2.776 -2.440 1.00 0.00 C ATOM 816 C LEU A 53 3.250 -2.497 -2.071 1.00 0.00 C ATOM 817 O LEU A 53 2.385 -3.329 -2.282 1.00 0.00 O ATOM 818 CB LEU A 53 5.315 -3.738 -1.424 1.00 0.00 C ATOM 819 CG LEU A 53 6.808 -3.547 -1.196 1.00 0.00 C ATOM 820 CD1 LEU A 53 7.346 -4.588 -0.227 1.00 0.00 C ATOM 821 CD2 LEU A 53 7.560 -3.592 -2.515 1.00 0.00 C ATOM 0 H LEU A 53 6.052 -1.367 -1.714 1.00 0.00 H new ATOM 0 HA LEU A 53 4.733 -3.246 -3.423 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.798 -3.621 -0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.140 -4.760 -1.759 1.00 0.00 H new ATOM 0 HG LEU A 53 6.962 -2.564 -0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.415 -4.431 -0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.831 -4.496 0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.179 -5.585 -0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.625 -3.454 -2.331 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.397 -4.557 -2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.198 -2.797 -3.167 1.00 0.00 H new ATOM 833 N LEU A 54 2.991 -1.323 -1.503 1.00 0.00 N ATOM 834 CA LEU A 54 1.644 -0.962 -1.110 1.00 0.00 C ATOM 835 C LEU A 54 0.804 -0.534 -2.305 1.00 0.00 C ATOM 836 O LEU A 54 -0.376 -0.878 -2.394 1.00 0.00 O ATOM 837 CB LEU A 54 1.671 0.108 -0.027 1.00 0.00 C ATOM 838 CG LEU A 54 1.756 -0.434 1.411 1.00 0.00 C ATOM 839 CD1 LEU A 54 0.589 0.079 2.241 1.00 0.00 C ATOM 840 CD2 LEU A 54 1.785 -1.966 1.433 1.00 0.00 C ATOM 0 H LEU A 54 3.696 -0.612 -1.308 1.00 0.00 H new ATOM 0 HA LEU A 54 1.167 -1.849 -0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.523 0.764 -0.204 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.774 0.720 -0.118 1.00 0.00 H new ATOM 0 HG LEU A 54 2.689 -0.074 1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.664 -0.313 3.255 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.615 1.168 2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.349 -0.250 1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.845 -2.314 2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.877 -2.354 0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.654 -2.321 0.879 1.00 0.00 H new ATOM 852 N SER A 55 1.409 0.196 -3.232 1.00 0.00 N ATOM 853 CA SER A 55 0.690 0.639 -4.419 1.00 0.00 C ATOM 854 C SER A 55 0.482 -0.522 -5.389 1.00 0.00 C ATOM 855 O SER A 55 -0.511 -0.565 -6.116 1.00 0.00 O ATOM 856 CB SER A 55 1.437 1.773 -5.116 1.00 0.00 C ATOM 857 OG SER A 55 2.840 1.608 -5.001 1.00 0.00 O ATOM 0 H SER A 55 2.384 0.491 -3.187 1.00 0.00 H new ATOM 0 HA SER A 55 -0.284 1.009 -4.100 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.157 1.804 -6.169 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.143 2.728 -4.680 1.00 0.00 H new ATOM 0 HG SER A 55 3.295 2.347 -5.457 1.00 0.00 H new ATOM 863 N ARG A 56 1.421 -1.463 -5.389 1.00 0.00 N ATOM 864 CA ARG A 56 1.338 -2.628 -6.265 1.00 0.00 C ATOM 865 C ARG A 56 0.833 -3.845 -5.496 1.00 0.00 C ATOM 866 O ARG A 56 0.200 -4.732 -6.064 1.00 0.00 O ATOM 867 CB ARG A 56 2.705 -2.931 -6.882 1.00 0.00 C ATOM 868 CG ARG A 56 2.623 -3.684 -8.200 1.00 0.00 C ATOM 869 CD ARG A 56 3.895 -4.470 -8.474 1.00 0.00 C ATOM 870 NE ARG A 56 4.110 -5.523 -7.483 1.00 0.00 N ATOM 871 CZ ARG A 56 3.475 -6.693 -7.495 1.00 0.00 C ATOM 872 NH1 ARG A 56 2.590 -6.966 -8.447 1.00 0.00 N ATOM 873 NH2 ARG A 56 3.725 -7.592 -6.554 1.00 0.00 N ATOM 0 H ARG A 56 2.248 -1.442 -4.793 1.00 0.00 H new ATOM 0 HA ARG A 56 0.632 -2.402 -7.064 1.00 0.00 H new ATOM 0 HB2 ARG A 56 3.239 -1.994 -7.041 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.292 -3.516 -6.174 1.00 0.00 H new ATOM 0 HG2 ARG A 56 1.771 -4.364 -8.179 1.00 0.00 H new ATOM 0 HG3 ARG A 56 2.448 -2.979 -9.013 1.00 0.00 H new ATOM 0 HD2 ARG A 56 3.841 -4.913 -9.468 1.00 0.00 H new ATOM 0 HD3 ARG A 56 4.748 -3.792 -8.474 1.00 0.00 H new ATOM 0 HE ARG A 56 4.786 -5.351 -6.739 1.00 0.00 H new ATOM 0 HH11 ARG A 56 2.394 -6.278 -9.174 1.00 0.00 H new ATOM 0 HH12 ARG A 56 2.106 -7.864 -8.451 1.00 0.00 H new ATOM 0 HH21 ARG A 56 4.404 -7.387 -5.821 1.00 0.00 H new ATOM 0 HH22 ARG A 56 3.239 -8.488 -6.563 1.00 0.00 H new ATOM 887 N GLY A 57 1.117 -3.872 -4.199 1.00 0.00 N ATOM 888 CA GLY A 57 0.684 -4.975 -3.357 1.00 0.00 C ATOM 889 C GLY A 57 -0.820 -5.096 -3.310 1.00 0.00 C ATOM 890 O GLY A 57 -1.370 -6.196 -3.399 1.00 0.00 O ATOM 0 H GLY A 57 1.642 -3.146 -3.712 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.111 -5.906 -3.731 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.068 -4.832 -2.347 1.00 0.00 H new ATOM 894 N ILE A 58 -1.483 -3.960 -3.161 1.00 0.00 N ATOM 895 CA ILE A 58 -2.931 -3.926 -3.089 1.00 0.00 C ATOM 896 C ILE A 58 -3.566 -4.422 -4.388 1.00 0.00 C ATOM 897 O ILE A 58 -4.631 -5.040 -4.372 1.00 0.00 O ATOM 898 CB ILE A 58 -3.421 -2.498 -2.735 1.00 0.00 C ATOM 899 CG1 ILE A 58 -4.208 -2.526 -1.432 1.00 0.00 C ATOM 900 CG2 ILE A 58 -4.264 -1.878 -3.841 1.00 0.00 C ATOM 901 CD1 ILE A 58 -4.223 -1.200 -0.705 1.00 0.00 C ATOM 0 H ILE A 58 -1.036 -3.046 -3.087 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.247 -4.603 -2.296 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.535 -1.873 -2.619 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.234 -2.826 -1.644 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.782 -3.286 -0.776 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.580 -0.879 -3.541 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.674 -1.812 -4.755 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.142 -2.498 -4.020 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.802 -1.295 0.214 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.202 -0.907 -0.462 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.676 -0.441 -1.342 1.00 0.00 H new ATOM 1109 N PRO A 70 -12.643 -5.044 -1.541 1.00 0.00 N ATOM 1110 CA PRO A 70 -13.222 -4.209 -0.481 1.00 0.00 C ATOM 1111 C PRO A 70 -12.813 -2.745 -0.609 1.00 0.00 C ATOM 1112 O PRO A 70 -11.822 -2.422 -1.265 1.00 0.00 O ATOM 1113 CB PRO A 70 -12.645 -4.800 0.815 1.00 0.00 C ATOM 1114 CG PRO A 70 -12.102 -6.136 0.442 1.00 0.00 C ATOM 1115 CD PRO A 70 -11.698 -6.035 -1.000 1.00 0.00 C ATOM 0 HA PRO A 70 -14.311 -4.216 -0.520 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -11.863 -4.160 1.223 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -13.415 -4.890 1.581 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -11.249 -6.398 1.068 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -12.852 -6.914 0.583 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.664 -5.707 -1.107 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -11.783 -6.994 -1.511 1.00 0.00 H new ATOM 1123 N SER A 71 -13.575 -1.861 0.032 1.00 0.00 N ATOM 1124 CA SER A 71 -13.278 -0.432 -0.002 1.00 0.00 C ATOM 1125 C SER A 71 -11.906 -0.166 0.607 1.00 0.00 C ATOM 1126 O SER A 71 -11.055 0.485 -0.005 1.00 0.00 O ATOM 1127 CB SER A 71 -14.350 0.354 0.757 1.00 0.00 C ATOM 1128 OG SER A 71 -15.499 0.559 -0.048 1.00 0.00 O ATOM 0 H SER A 71 -14.400 -2.109 0.579 1.00 0.00 H new ATOM 0 HA SER A 71 -13.274 -0.103 -1.041 1.00 0.00 H new ATOM 0 HB2 SER A 71 -14.628 -0.186 1.662 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.946 1.316 1.071 1.00 0.00 H new ATOM 0 HG SER A 71 -16.169 1.062 0.460 1.00 0.00 H new ATOM 1134 N SER A 72 -11.693 -0.687 1.814 1.00 0.00 N ATOM 1135 CA SER A 72 -10.419 -0.526 2.510 1.00 0.00 C ATOM 1136 C SER A 72 -9.268 -1.209 1.768 1.00 0.00 C ATOM 1137 O SER A 72 -8.214 -1.460 2.349 1.00 0.00 O ATOM 1138 CB SER A 72 -10.515 -1.067 3.936 1.00 0.00 C ATOM 1139 OG SER A 72 -11.851 -1.402 4.270 1.00 0.00 O ATOM 0 H SER A 72 -12.388 -1.225 2.331 1.00 0.00 H new ATOM 0 HA SER A 72 -10.204 0.542 2.543 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.881 -1.948 4.037 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.139 -0.321 4.636 1.00 0.00 H new ATOM 0 HG SER A 72 -11.967 -2.374 4.220 1.00 0.00 H new ATOM 1145 N MET A 73 -9.458 -1.487 0.485 1.00 0.00 N ATOM 1146 CA MET A 73 -8.421 -2.108 -0.319 1.00 0.00 C ATOM 1147 C MET A 73 -8.163 -1.265 -1.562 1.00 0.00 C ATOM 1148 O MET A 73 -7.497 -1.697 -2.503 1.00 0.00 O ATOM 1149 CB MET A 73 -8.819 -3.532 -0.711 1.00 0.00 C ATOM 1150 CG MET A 73 -7.686 -4.540 -0.595 1.00 0.00 C ATOM 1151 SD MET A 73 -7.011 -4.643 1.075 1.00 0.00 S ATOM 1152 CE MET A 73 -5.705 -3.422 0.984 1.00 0.00 C ATOM 0 H MET A 73 -10.323 -1.291 -0.019 1.00 0.00 H new ATOM 0 HA MET A 73 -7.506 -2.165 0.270 1.00 0.00 H new ATOM 0 HB2 MET A 73 -9.646 -3.855 -0.079 1.00 0.00 H new ATOM 0 HB3 MET A 73 -9.185 -3.527 -1.738 1.00 0.00 H new ATOM 0 HG2 MET A 73 -8.048 -5.523 -0.897 1.00 0.00 H new ATOM 0 HG3 MET A 73 -6.890 -4.267 -1.288 1.00 0.00 H new ATOM 0 HE1 MET A 73 -5.672 -2.855 1.914 1.00 0.00 H new ATOM 0 HE2 MET A 73 -4.749 -3.922 0.830 1.00 0.00 H new ATOM 0 HE3 MET A 73 -5.898 -2.744 0.153 1.00 0.00 H new ATOM 1162 N LEU A 74 -8.706 -0.053 -1.541 1.00 0.00 N ATOM 1163 CA LEU A 74 -8.566 0.889 -2.639 1.00 0.00 C ATOM 1164 C LEU A 74 -8.125 2.245 -2.113 1.00 0.00 C ATOM 1165 O LEU A 74 -7.428 2.985 -2.797 1.00 0.00 O ATOM 1166 CB LEU A 74 -9.908 1.028 -3.370 1.00 0.00 C ATOM 1167 CG LEU A 74 -10.134 2.353 -4.110 1.00 0.00 C ATOM 1168 CD1 LEU A 74 -9.311 2.408 -5.387 1.00 0.00 C ATOM 1169 CD2 LEU A 74 -11.611 2.542 -4.417 1.00 0.00 C ATOM 0 H LEU A 74 -9.256 0.302 -0.759 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.811 0.518 -3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -9.994 0.213 -4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.710 0.898 -2.644 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.807 3.166 -3.462 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -9.488 3.357 -5.894 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -8.253 2.320 -5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -9.601 1.587 -6.043 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -11.756 3.486 -4.942 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -11.960 1.721 -5.043 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -12.178 2.554 -3.486 1.00 0.00 H new ATOM 1181 N THR A 75 -8.559 2.572 -0.901 1.00 0.00 N ATOM 1182 CA THR A 75 -8.237 3.848 -0.293 1.00 0.00 C ATOM 1183 C THR A 75 -6.806 3.874 0.224 1.00 0.00 C ATOM 1184 O THR A 75 -6.116 4.881 0.109 1.00 0.00 O ATOM 1185 CB THR A 75 -9.231 4.148 0.841 1.00 0.00 C ATOM 1186 OG1 THR A 75 -9.830 5.418 0.657 1.00 0.00 O ATOM 1187 CG2 THR A 75 -8.620 4.127 2.231 1.00 0.00 C ATOM 0 H THR A 75 -9.138 1.964 -0.321 1.00 0.00 H new ATOM 0 HA THR A 75 -8.320 4.622 -1.056 1.00 0.00 H new ATOM 0 HB THR A 75 -9.964 3.343 0.785 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.461 5.591 1.387 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.390 4.348 2.970 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.200 3.141 2.429 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.831 4.877 2.293 1.00 0.00 H new ATOM 1195 N ILE A 76 -6.362 2.774 0.804 1.00 0.00 N ATOM 1196 CA ILE A 76 -5.015 2.718 1.332 1.00 0.00 C ATOM 1197 C ILE A 76 -3.999 2.904 0.211 1.00 0.00 C ATOM 1198 O ILE A 76 -3.239 3.870 0.202 1.00 0.00 O ATOM 1199 CB ILE A 76 -4.752 1.396 2.086 1.00 0.00 C ATOM 1200 CG1 ILE A 76 -5.540 1.383 3.399 1.00 0.00 C ATOM 1201 CG2 ILE A 76 -3.263 1.204 2.354 1.00 0.00 C ATOM 1202 CD1 ILE A 76 -6.835 0.606 3.321 1.00 0.00 C ATOM 0 H ILE A 76 -6.907 1.919 0.920 1.00 0.00 H new ATOM 0 HA ILE A 76 -4.906 3.532 2.048 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.086 0.568 1.461 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -4.916 0.955 4.183 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -5.759 2.410 3.691 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.107 0.265 2.886 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.723 1.179 1.407 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.893 2.031 2.961 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.339 0.640 4.287 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.479 1.047 2.560 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.622 -0.431 3.060 1.00 0.00 H new ATOM 1214 N TYR A 77 -4.008 1.986 -0.743 1.00 0.00 N ATOM 1215 CA TYR A 77 -3.105 2.056 -1.885 1.00 0.00 C ATOM 1216 C TYR A 77 -3.221 3.420 -2.557 1.00 0.00 C ATOM 1217 O TYR A 77 -2.225 4.036 -2.929 1.00 0.00 O ATOM 1218 CB TYR A 77 -3.439 0.918 -2.853 1.00 0.00 C ATOM 1219 CG TYR A 77 -3.391 1.271 -4.323 1.00 0.00 C ATOM 1220 CD1 TYR A 77 -2.359 2.032 -4.851 1.00 0.00 C ATOM 1221 CD2 TYR A 77 -4.375 0.814 -5.180 1.00 0.00 C ATOM 1222 CE1 TYR A 77 -2.311 2.334 -6.196 1.00 0.00 C ATOM 1223 CE2 TYR A 77 -4.336 1.105 -6.530 1.00 0.00 C ATOM 1224 CZ TYR A 77 -3.301 1.866 -7.034 1.00 0.00 C ATOM 1225 OH TYR A 77 -3.255 2.157 -8.377 1.00 0.00 O ATOM 0 H TYR A 77 -4.633 1.180 -0.750 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.072 1.939 -1.558 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.745 0.097 -2.673 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -4.438 0.548 -2.619 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.579 2.395 -4.198 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.187 0.220 -4.788 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -1.503 2.933 -6.590 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.111 0.739 -7.187 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.026 1.752 -8.826 1.00 0.00 H new ATOM 1235 N THR A 78 -4.447 3.895 -2.690 1.00 0.00 N ATOM 1236 CA THR A 78 -4.686 5.196 -3.287 1.00 0.00 C ATOM 1237 C THR A 78 -4.104 6.281 -2.390 1.00 0.00 C ATOM 1238 O THR A 78 -3.633 7.316 -2.855 1.00 0.00 O ATOM 1239 CB THR A 78 -6.186 5.413 -3.468 1.00 0.00 C ATOM 1240 OG1 THR A 78 -6.469 6.037 -4.706 1.00 0.00 O ATOM 1241 CG2 THR A 78 -6.795 6.247 -2.376 1.00 0.00 C ATOM 0 H THR A 78 -5.289 3.401 -2.394 1.00 0.00 H new ATOM 0 HA THR A 78 -4.203 5.243 -4.263 1.00 0.00 H new ATOM 0 HB THR A 78 -6.627 4.417 -3.433 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.437 6.162 -4.796 1.00 0.00 H new ATOM 0 HG21 THR A 78 -7.863 6.365 -2.561 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.646 5.754 -1.415 1.00 0.00 H new ATOM 0 HG23 THR A 78 -6.319 7.227 -2.358 1.00 0.00 H new ATOM 1249 N GLN A 79 -4.136 6.004 -1.093 1.00 0.00 N ATOM 1250 CA GLN A 79 -3.612 6.913 -0.089 1.00 0.00 C ATOM 1251 C GLN A 79 -2.101 6.838 -0.102 1.00 0.00 C ATOM 1252 O GLN A 79 -1.403 7.781 0.270 1.00 0.00 O ATOM 1253 CB GLN A 79 -4.148 6.558 1.298 1.00 0.00 C ATOM 1254 CG GLN A 79 -5.499 7.184 1.595 1.00 0.00 C ATOM 1255 CD GLN A 79 -5.466 8.700 1.559 1.00 0.00 C ATOM 1256 OE1 GLN A 79 -6.340 9.336 0.971 1.00 0.00 O ATOM 1257 NE2 GLN A 79 -4.455 9.289 2.189 1.00 0.00 N ATOM 0 H GLN A 79 -4.526 5.143 -0.710 1.00 0.00 H new ATOM 0 HA GLN A 79 -3.933 7.928 -0.321 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -4.230 5.474 1.382 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -3.431 6.883 2.052 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.228 6.824 0.869 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.838 6.856 2.578 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.752 8.724 2.664 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -4.383 10.306 2.197 1.00 0.00 H new ATOM 1266 N ILE A 80 -1.617 5.704 -0.580 1.00 0.00 N ATOM 1267 CA ILE A 80 -0.207 5.461 -0.712 1.00 0.00 C ATOM 1268 C ILE A 80 0.339 6.413 -1.763 1.00 0.00 C ATOM 1269 O ILE A 80 1.206 7.251 -1.492 1.00 0.00 O ATOM 1270 CB ILE A 80 0.027 3.997 -1.151 1.00 0.00 C ATOM 1271 CG1 ILE A 80 0.220 3.064 0.039 1.00 0.00 C ATOM 1272 CG2 ILE A 80 1.207 3.902 -2.068 1.00 0.00 C ATOM 1273 CD1 ILE A 80 -0.393 3.568 1.308 1.00 0.00 C ATOM 0 H ILE A 80 -2.202 4.927 -0.887 1.00 0.00 H new ATOM 0 HA ILE A 80 0.300 5.624 0.239 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.870 3.678 -1.682 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.210 2.092 -0.200 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.287 2.910 0.198 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.354 2.864 -2.365 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.029 4.511 -2.954 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.098 4.262 -1.553 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.214 2.850 2.109 1.00 0.00 H new ATOM 0 HD12 ILE A 80 0.054 4.526 1.573 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.466 3.695 1.168 1.00 0.00 H new ATOM 1285 N GLN A 81 -0.220 6.291 -2.960 1.00 0.00 N ATOM 1286 CA GLN A 81 0.152 7.138 -4.074 1.00 0.00 C ATOM 1287 C GLN A 81 -0.099 8.602 -3.716 1.00 0.00 C ATOM 1288 O GLN A 81 0.546 9.508 -4.235 1.00 0.00 O ATOM 1289 CB GLN A 81 -0.659 6.744 -5.311 1.00 0.00 C ATOM 1290 CG GLN A 81 -1.480 7.883 -5.877 1.00 0.00 C ATOM 1291 CD GLN A 81 -2.226 7.503 -7.141 1.00 0.00 C ATOM 1292 OE1 GLN A 81 -2.184 8.221 -8.139 1.00 0.00 O ATOM 1293 NE2 GLN A 81 -2.913 6.367 -7.102 1.00 0.00 N ATOM 0 H GLN A 81 -0.941 5.604 -3.180 1.00 0.00 H new ATOM 0 HA GLN A 81 1.212 7.009 -4.292 1.00 0.00 H new ATOM 0 HB2 GLN A 81 0.020 6.378 -6.081 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.324 5.919 -5.054 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.196 8.217 -5.125 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -0.823 8.727 -6.089 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.919 5.804 -6.252 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.435 6.058 -7.922 1.00 0.00 H new ATOM 1302 N LYS A 82 -1.062 8.812 -2.831 1.00 0.00 N ATOM 1303 CA LYS A 82 -1.439 10.144 -2.391 1.00 0.00 C ATOM 1304 C LYS A 82 -0.367 10.787 -1.550 1.00 0.00 C ATOM 1305 O LYS A 82 -0.221 12.001 -1.560 1.00 0.00 O ATOM 1306 CB LYS A 82 -2.727 10.078 -1.584 1.00 0.00 C ATOM 1307 CG LYS A 82 -3.844 10.920 -2.163 1.00 0.00 C ATOM 1308 CD LYS A 82 -4.396 10.287 -3.427 1.00 0.00 C ATOM 1309 CE LYS A 82 -5.907 10.133 -3.362 1.00 0.00 C ATOM 1310 NZ LYS A 82 -6.540 10.277 -4.702 1.00 0.00 N ATOM 0 H LYS A 82 -1.603 8.063 -2.399 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.581 10.751 -3.285 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.057 9.041 -1.525 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -2.525 10.407 -0.565 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -4.641 11.030 -1.428 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.474 11.921 -2.384 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -4.129 10.900 -4.288 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.936 9.310 -3.576 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -6.154 9.156 -2.947 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.319 10.881 -2.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -7.570 10.165 -4.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -6.326 11.219 -5.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -6.167 9.548 -5.342 1.00 0.00 H new ATOM 1324 N ASP A 83 0.402 9.984 -0.852 1.00 0.00 N ATOM 1325 CA ASP A 83 1.469 10.512 -0.046 1.00 0.00 C ATOM 1326 C ASP A 83 2.614 10.823 -0.976 1.00 0.00 C ATOM 1327 O ASP A 83 3.490 11.634 -0.691 1.00 0.00 O ATOM 1328 CB ASP A 83 1.877 9.507 1.026 1.00 0.00 C ATOM 1329 CG ASP A 83 0.912 9.482 2.194 1.00 0.00 C ATOM 1330 OD1 ASP A 83 0.081 10.409 2.300 1.00 0.00 O ATOM 1331 OD2 ASP A 83 0.984 8.532 3.002 1.00 0.00 O ATOM 0 H ASP A 83 0.307 8.969 -0.828 1.00 0.00 H new ATOM 0 HA ASP A 83 1.155 11.415 0.477 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.934 8.512 0.584 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.875 9.752 1.389 1.00 0.00 H new ATOM 1336 N ILE A 84 2.560 10.161 -2.119 1.00 0.00 N ATOM 1337 CA ILE A 84 3.537 10.326 -3.158 1.00 0.00 C ATOM 1338 C ILE A 84 3.424 11.699 -3.799 1.00 0.00 C ATOM 1339 O ILE A 84 4.347 12.510 -3.725 1.00 0.00 O ATOM 1340 CB ILE A 84 3.332 9.258 -4.237 1.00 0.00 C ATOM 1341 CG1 ILE A 84 3.200 7.881 -3.615 1.00 0.00 C ATOM 1342 CG2 ILE A 84 4.478 9.281 -5.190 1.00 0.00 C ATOM 1343 CD1 ILE A 84 4.278 7.595 -2.619 1.00 0.00 C ATOM 0 H ILE A 84 1.826 9.490 -2.345 1.00 0.00 H new ATOM 0 HA ILE A 84 4.526 10.224 -2.710 1.00 0.00 H new ATOM 0 HB ILE A 84 2.410 9.479 -4.774 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.229 7.798 -3.128 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.227 7.127 -4.401 1.00 0.00 H new ATOM 0 HG21 ILE A 84 4.329 8.520 -5.956 1.00 0.00 H new ATOM 0 HG22 ILE A 84 4.541 10.262 -5.660 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.403 9.077 -4.651 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.135 6.597 -2.205 1.00 0.00 H new ATOM 0 HD12 ILE A 84 5.250 7.649 -3.109 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.236 8.330 -1.816 1.00 0.00 H new ATOM 1355 N LYS A 85 2.281 11.955 -4.421 1.00 0.00 N ATOM 1356 CA LYS A 85 2.047 13.234 -5.067 1.00 0.00 C ATOM 1357 C LYS A 85 1.875 14.311 -4.026 1.00 0.00 C ATOM 1358 O LYS A 85 2.188 15.478 -4.262 1.00 0.00 O ATOM 1359 CB LYS A 85 0.790 13.229 -5.942 1.00 0.00 C ATOM 1360 CG LYS A 85 0.388 11.878 -6.489 1.00 0.00 C ATOM 1361 CD LYS A 85 1.366 11.387 -7.548 1.00 0.00 C ATOM 1362 CE LYS A 85 2.227 10.257 -7.030 1.00 0.00 C ATOM 1363 NZ LYS A 85 2.989 9.590 -8.124 1.00 0.00 N ATOM 0 H LYS A 85 1.506 11.295 -4.490 1.00 0.00 H new ATOM 0 HA LYS A 85 2.914 13.424 -5.699 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.040 13.628 -5.359 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.947 13.909 -6.779 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.340 11.155 -5.675 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -0.612 11.942 -6.918 1.00 0.00 H new ATOM 0 HD2 LYS A 85 0.814 11.052 -8.426 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.002 12.213 -7.867 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.924 10.643 -6.286 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.598 9.523 -6.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.230 8.620 -7.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.407 9.562 -8.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.862 10.122 -8.313 1.00 0.00 H new ATOM 1377 N ASN A 86 1.338 13.920 -2.882 1.00 0.00 N ATOM 1378 CA ASN A 86 1.092 14.887 -1.828 1.00 0.00 C ATOM 1379 C ASN A 86 2.392 15.377 -1.200 1.00 0.00 C ATOM 1380 O ASN A 86 2.428 16.440 -0.580 1.00 0.00 O ATOM 1381 CB ASN A 86 0.173 14.325 -0.741 1.00 0.00 C ATOM 1382 CG ASN A 86 -0.150 15.349 0.329 1.00 0.00 C ATOM 1383 OD1 ASN A 86 0.719 15.755 1.100 1.00 0.00 O ATOM 1384 ND2 ASN A 86 -1.409 15.772 0.382 1.00 0.00 N ATOM 0 H ASN A 86 1.069 12.961 -2.663 1.00 0.00 H new ATOM 0 HA ASN A 86 0.591 15.733 -2.298 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -0.753 13.976 -1.197 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.648 13.459 -0.280 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -1.687 16.460 1.082 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.097 15.409 -0.277 1.00 0.00 H new ATOM 1391 N GLY A 87 3.453 14.593 -1.346 1.00 0.00 N ATOM 1392 CA GLY A 87 4.727 14.970 -0.767 1.00 0.00 C ATOM 1393 C GLY A 87 4.841 14.509 0.667 1.00 0.00 C ATOM 1394 O GLY A 87 5.446 15.179 1.504 1.00 0.00 O ATOM 0 H GLY A 87 3.454 13.708 -1.852 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.537 14.538 -1.355 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.842 16.053 -0.813 1.00 0.00 H new ATOM 1398 N ASN A 88 4.274 13.340 0.939 1.00 0.00 N ATOM 1399 CA ASN A 88 4.322 12.747 2.258 1.00 0.00 C ATOM 1400 C ASN A 88 5.479 11.784 2.311 1.00 0.00 C ATOM 1401 O ASN A 88 5.993 11.445 3.377 1.00 0.00 O ATOM 1402 CB ASN A 88 3.011 12.032 2.583 1.00 0.00 C ATOM 1403 CG ASN A 88 2.100 12.861 3.467 1.00 0.00 C ATOM 1404 OD1 ASN A 88 2.563 13.677 4.264 1.00 0.00 O ATOM 1405 ND2 ASN A 88 0.796 12.652 3.332 1.00 0.00 N ATOM 0 H ASN A 88 3.771 12.782 0.249 1.00 0.00 H new ATOM 0 HA ASN A 88 4.460 13.530 3.003 1.00 0.00 H new ATOM 0 HB2 ASN A 88 2.492 11.793 1.655 1.00 0.00 H new ATOM 0 HB3 ASN A 88 3.230 11.086 3.078 1.00 0.00 H new ATOM 0 HD21 ASN A 88 0.133 13.178 3.902 1.00 0.00 H new ATOM 0 HD22 ASN A 88 0.457 11.965 2.658 1.00 0.00 H new ATOM 1412 N ILE A 89 5.873 11.342 1.132 1.00 0.00 N ATOM 1413 CA ILE A 89 6.941 10.423 0.974 1.00 0.00 C ATOM 1414 C ILE A 89 8.045 11.056 0.151 1.00 0.00 C ATOM 1415 O ILE A 89 7.782 11.885 -0.721 1.00 0.00 O ATOM 1416 CB ILE A 89 6.378 9.206 0.268 1.00 0.00 C ATOM 1417 CG1 ILE A 89 5.410 8.486 1.198 1.00 0.00 C ATOM 1418 CG2 ILE A 89 7.483 8.310 -0.193 1.00 0.00 C ATOM 1419 CD1 ILE A 89 4.267 7.847 0.485 1.00 0.00 C ATOM 0 H ILE A 89 5.441 11.627 0.253 1.00 0.00 H new ATOM 0 HA ILE A 89 7.366 10.141 1.937 1.00 0.00 H new ATOM 0 HB ILE A 89 5.829 9.517 -0.621 1.00 0.00 H new ATOM 0 HG12 ILE A 89 5.953 7.723 1.755 1.00 0.00 H new ATOM 0 HG13 ILE A 89 5.022 9.197 1.927 1.00 0.00 H new ATOM 0 HG21 ILE A 89 7.060 7.441 -0.698 1.00 0.00 H new ATOM 0 HG22 ILE A 89 8.128 8.853 -0.884 1.00 0.00 H new ATOM 0 HG23 ILE A 89 8.068 7.982 0.666 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.618 7.353 1.208 1.00 0.00 H new ATOM 0 HD12 ILE A 89 3.700 8.609 -0.050 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.646 7.112 -0.225 1.00 0.00 H new ATOM 1431 N ASP A 90 9.273 10.656 0.411 1.00 0.00 N ATOM 1432 CA ASP A 90 10.391 11.183 -0.329 1.00 0.00 C ATOM 1433 C ASP A 90 10.497 10.415 -1.624 1.00 0.00 C ATOM 1434 O ASP A 90 11.323 9.514 -1.768 1.00 0.00 O ATOM 1435 CB ASP A 90 11.677 11.079 0.482 1.00 0.00 C ATOM 1436 CG ASP A 90 11.637 11.922 1.741 1.00 0.00 C ATOM 1437 OD1 ASP A 90 10.533 12.109 2.296 1.00 0.00 O ATOM 1438 OD2 ASP A 90 12.709 12.396 2.173 1.00 0.00 O ATOM 0 H ASP A 90 9.517 9.971 1.126 1.00 0.00 H new ATOM 0 HA ASP A 90 10.236 12.241 -0.540 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.850 10.037 0.751 1.00 0.00 H new ATOM 0 HB3 ASP A 90 12.519 11.393 -0.135 1.00 0.00 H new ATOM 1443 N THR A 91 9.617 10.758 -2.554 1.00 0.00 N ATOM 1444 CA THR A 91 9.560 10.086 -3.834 1.00 0.00 C ATOM 1445 C THR A 91 10.907 10.023 -4.523 1.00 0.00 C ATOM 1446 O THR A 91 11.069 9.287 -5.489 1.00 0.00 O ATOM 1447 CB THR A 91 8.520 10.730 -4.734 1.00 0.00 C ATOM 1448 OG1 THR A 91 8.197 12.039 -4.294 1.00 0.00 O ATOM 1449 CG2 THR A 91 7.254 9.926 -4.793 1.00 0.00 C ATOM 0 H THR A 91 8.930 11.504 -2.440 1.00 0.00 H new ATOM 0 HA THR A 91 9.263 9.056 -3.636 1.00 0.00 H new ATOM 0 HB THR A 91 8.965 10.772 -5.728 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.527 12.429 -4.893 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.538 10.423 -5.448 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.472 8.932 -5.182 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.831 9.839 -3.792 1.00 0.00 H new ATOM 1457 N GLU A 92 11.884 10.752 -4.007 1.00 0.00 N ATOM 1458 CA GLU A 92 13.213 10.715 -4.569 1.00 0.00 C ATOM 1459 C GLU A 92 13.776 9.337 -4.303 1.00 0.00 C ATOM 1460 O GLU A 92 14.329 8.688 -5.187 1.00 0.00 O ATOM 1461 CB GLU A 92 14.087 11.807 -3.953 1.00 0.00 C ATOM 1462 CG GLU A 92 13.358 13.134 -3.787 1.00 0.00 C ATOM 1463 CD GLU A 92 13.583 13.757 -2.423 1.00 0.00 C ATOM 1464 OE1 GLU A 92 14.579 13.394 -1.762 1.00 0.00 O ATOM 1465 OE2 GLU A 92 12.764 14.606 -2.015 1.00 0.00 O ATOM 0 H GLU A 92 11.777 11.372 -3.204 1.00 0.00 H new ATOM 0 HA GLU A 92 13.187 10.905 -5.642 1.00 0.00 H new ATOM 0 HB2 GLU A 92 14.445 11.472 -2.979 1.00 0.00 H new ATOM 0 HB3 GLU A 92 14.965 11.958 -4.581 1.00 0.00 H new ATOM 0 HG2 GLU A 92 13.693 13.827 -4.559 1.00 0.00 H new ATOM 0 HG3 GLU A 92 12.290 12.979 -3.940 1.00 0.00 H new ATOM 1472 N LYS A 93 13.562 8.878 -3.079 1.00 0.00 N ATOM 1473 CA LYS A 93 13.974 7.553 -2.680 1.00 0.00 C ATOM 1474 C LYS A 93 13.162 6.543 -3.450 1.00 0.00 C ATOM 1475 O LYS A 93 13.698 5.674 -4.137 1.00 0.00 O ATOM 1476 CB LYS A 93 13.780 7.369 -1.179 1.00 0.00 C ATOM 1477 CG LYS A 93 14.841 8.073 -0.362 1.00 0.00 C ATOM 1478 CD LYS A 93 14.239 9.119 0.551 1.00 0.00 C ATOM 1479 CE LYS A 93 13.390 8.484 1.638 1.00 0.00 C ATOM 1480 NZ LYS A 93 14.212 7.659 2.568 1.00 0.00 N ATOM 0 H LYS A 93 13.101 9.414 -2.344 1.00 0.00 H new ATOM 0 HA LYS A 93 15.032 7.412 -2.900 1.00 0.00 H new ATOM 0 HB2 LYS A 93 12.798 7.747 -0.895 1.00 0.00 H new ATOM 0 HB3 LYS A 93 13.792 6.305 -0.943 1.00 0.00 H new ATOM 0 HG2 LYS A 93 15.388 7.341 0.233 1.00 0.00 H new ATOM 0 HG3 LYS A 93 15.562 8.544 -1.030 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.035 9.708 1.007 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.629 9.807 -0.034 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.876 9.264 2.200 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.621 7.861 1.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.815 6.700 2.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.189 7.609 2.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.206 8.092 3.514 1.00 0.00 H new ATOM 1494 N LEU A 94 11.859 6.700 -3.354 1.00 0.00 N ATOM 1495 CA LEU A 94 10.931 5.856 -4.057 1.00 0.00 C ATOM 1496 C LEU A 94 11.272 5.793 -5.533 1.00 0.00 C ATOM 1497 O LEU A 94 11.132 4.757 -6.171 1.00 0.00 O ATOM 1498 CB LEU A 94 9.551 6.443 -3.875 1.00 0.00 C ATOM 1499 CG LEU A 94 8.709 5.741 -2.851 1.00 0.00 C ATOM 1500 CD1 LEU A 94 7.410 6.499 -2.655 1.00 0.00 C ATOM 1501 CD2 LEU A 94 8.466 4.307 -3.278 1.00 0.00 C ATOM 0 H LEU A 94 11.417 7.420 -2.783 1.00 0.00 H new ATOM 0 HA LEU A 94 10.978 4.841 -3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.650 7.490 -3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.031 6.421 -4.833 1.00 0.00 H new ATOM 0 HG LEU A 94 9.231 5.716 -1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.799 5.988 -1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.627 7.511 -2.313 1.00 0.00 H new ATOM 0 HD13 LEU A 94 6.869 6.544 -3.600 1.00 0.00 H new ATOM 0 HD21 LEU A 94 7.854 3.803 -2.530 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.949 4.296 -4.237 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.420 3.789 -3.374 1.00 0.00 H new ATOM 1513 N ARG A 95 11.705 6.927 -6.065 1.00 0.00 N ATOM 1514 CA ARG A 95 12.044 7.041 -7.465 1.00 0.00 C ATOM 1515 C ARG A 95 13.261 6.218 -7.827 1.00 0.00 C ATOM 1516 O ARG A 95 13.252 5.510 -8.827 1.00 0.00 O ATOM 1517 CB ARG A 95 12.254 8.522 -7.805 1.00 0.00 C ATOM 1518 CG ARG A 95 13.480 8.824 -8.643 1.00 0.00 C ATOM 1519 CD ARG A 95 13.297 8.384 -10.084 1.00 0.00 C ATOM 1520 NE ARG A 95 12.151 9.038 -10.710 1.00 0.00 N ATOM 1521 CZ ARG A 95 12.120 10.330 -11.029 1.00 0.00 C ATOM 1522 NH1 ARG A 95 13.173 11.104 -10.799 1.00 0.00 N ATOM 1523 NH2 ARG A 95 11.033 10.850 -11.584 1.00 0.00 N ATOM 0 H ARG A 95 11.829 7.789 -5.534 1.00 0.00 H new ATOM 0 HA ARG A 95 11.221 6.642 -8.057 1.00 0.00 H new ATOM 0 HB2 ARG A 95 11.373 8.885 -8.335 1.00 0.00 H new ATOM 0 HB3 ARG A 95 12.322 9.086 -6.875 1.00 0.00 H new ATOM 0 HG2 ARG A 95 13.687 9.894 -8.613 1.00 0.00 H new ATOM 0 HG3 ARG A 95 14.346 8.319 -8.216 1.00 0.00 H new ATOM 0 HD2 ARG A 95 14.200 8.612 -10.651 1.00 0.00 H new ATOM 0 HD3 ARG A 95 13.163 7.303 -10.120 1.00 0.00 H new ATOM 0 HE ARG A 95 11.327 8.472 -10.914 1.00 0.00 H new ATOM 0 HH11 ARG A 95 14.013 10.710 -10.375 1.00 0.00 H new ATOM 0 HH12 ARG A 95 13.143 12.093 -11.046 1.00 0.00 H new ATOM 0 HH21 ARG A 95 10.221 10.260 -11.766 1.00 0.00 H new ATOM 0 HH22 ARG A 95 11.009 11.840 -11.829 1.00 0.00 H new ATOM 1537 N LYS A 96 14.298 6.313 -7.017 1.00 0.00 N ATOM 1538 CA LYS A 96 15.525 5.567 -7.275 1.00 0.00 C ATOM 1539 C LYS A 96 15.293 4.097 -7.026 1.00 0.00 C ATOM 1540 O LYS A 96 15.635 3.242 -7.847 1.00 0.00 O ATOM 1541 CB LYS A 96 16.675 6.069 -6.394 1.00 0.00 C ATOM 1542 CG LYS A 96 16.924 7.568 -6.480 1.00 0.00 C ATOM 1543 CD LYS A 96 16.896 8.069 -7.914 1.00 0.00 C ATOM 1544 CE LYS A 96 18.172 7.701 -8.657 1.00 0.00 C ATOM 1545 NZ LYS A 96 17.963 7.635 -10.129 1.00 0.00 N ATOM 0 H LYS A 96 14.321 6.894 -6.179 1.00 0.00 H new ATOM 0 HA LYS A 96 15.803 5.721 -8.318 1.00 0.00 H new ATOM 0 HB2 LYS A 96 16.464 5.807 -5.357 1.00 0.00 H new ATOM 0 HB3 LYS A 96 17.588 5.544 -6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 96 16.168 8.095 -5.897 1.00 0.00 H new ATOM 0 HG3 LYS A 96 17.891 7.801 -6.034 1.00 0.00 H new ATOM 0 HD2 LYS A 96 16.036 7.644 -8.432 1.00 0.00 H new ATOM 0 HD3 LYS A 96 16.769 9.152 -7.920 1.00 0.00 H new ATOM 0 HE2 LYS A 96 18.946 8.436 -8.434 1.00 0.00 H new ATOM 0 HE3 LYS A 96 18.534 6.737 -8.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 18.235 6.693 -10.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 16.961 7.808 -10.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 18.547 8.358 -10.595 1.00 0.00 H new ATOM 1559 N TYR A 97 14.695 3.812 -5.889 1.00 0.00 N ATOM 1560 CA TYR A 97 14.398 2.455 -5.522 1.00 0.00 C ATOM 1561 C TYR A 97 13.369 1.856 -6.485 1.00 0.00 C ATOM 1562 O TYR A 97 13.434 0.672 -6.799 1.00 0.00 O ATOM 1563 CB TYR A 97 13.913 2.408 -4.075 1.00 0.00 C ATOM 1564 CG TYR A 97 12.949 1.298 -3.800 1.00 0.00 C ATOM 1565 CD1 TYR A 97 13.380 -0.019 -3.768 1.00 0.00 C ATOM 1566 CD2 TYR A 97 11.610 1.565 -3.587 1.00 0.00 C ATOM 1567 CE1 TYR A 97 12.498 -1.048 -3.526 1.00 0.00 C ATOM 1568 CE2 TYR A 97 10.723 0.545 -3.350 1.00 0.00 C ATOM 1569 CZ TYR A 97 11.170 -0.763 -3.318 1.00 0.00 C ATOM 1570 OH TYR A 97 10.286 -1.789 -3.077 1.00 0.00 O ATOM 0 H TYR A 97 14.406 4.510 -5.204 1.00 0.00 H new ATOM 0 HA TYR A 97 15.303 1.851 -5.595 1.00 0.00 H new ATOM 0 HB2 TYR A 97 14.774 2.301 -3.416 1.00 0.00 H new ATOM 0 HB3 TYR A 97 13.439 3.358 -3.829 1.00 0.00 H new ATOM 0 HD1 TYR A 97 14.424 -0.241 -3.935 1.00 0.00 H new ATOM 0 HD2 TYR A 97 11.258 2.586 -3.607 1.00 0.00 H new ATOM 0 HE1 TYR A 97 12.847 -2.070 -3.500 1.00 0.00 H new ATOM 0 HE2 TYR A 97 9.678 0.764 -3.189 1.00 0.00 H new ATOM 0 HH TYR A 97 9.372 -1.481 -3.250 1.00 0.00 H new ATOM 1580 N GLU A 98 12.438 2.678 -6.982 1.00 0.00 N ATOM 1581 CA GLU A 98 11.439 2.192 -7.928 1.00 0.00 C ATOM 1582 C GLU A 98 12.131 1.755 -9.203 1.00 0.00 C ATOM 1583 O GLU A 98 11.706 0.810 -9.866 1.00 0.00 O ATOM 1584 CB GLU A 98 10.399 3.267 -8.254 1.00 0.00 C ATOM 1585 CG GLU A 98 9.219 3.293 -7.295 1.00 0.00 C ATOM 1586 CD GLU A 98 8.597 4.672 -7.174 1.00 0.00 C ATOM 1587 OE1 GLU A 98 9.269 5.661 -7.535 1.00 0.00 O ATOM 1588 OE2 GLU A 98 7.437 4.761 -6.719 1.00 0.00 O ATOM 0 H GLU A 98 12.359 3.667 -6.747 1.00 0.00 H new ATOM 0 HA GLU A 98 10.919 1.351 -7.470 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.884 4.243 -8.244 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.029 3.105 -9.266 1.00 0.00 H new ATOM 0 HG2 GLU A 98 8.463 2.586 -7.636 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.548 2.959 -6.311 1.00 0.00 H new ATOM 1595 N ILE A 99 13.217 2.448 -9.532 1.00 0.00 N ATOM 1596 CA ILE A 99 13.987 2.128 -10.718 1.00 0.00 C ATOM 1597 C ILE A 99 14.446 0.690 -10.658 1.00 0.00 C ATOM 1598 O ILE A 99 14.251 -0.094 -11.587 1.00 0.00 O ATOM 1599 CB ILE A 99 15.231 3.028 -10.856 1.00 0.00 C ATOM 1600 CG1 ILE A 99 14.866 4.480 -10.591 1.00 0.00 C ATOM 1601 CG2 ILE A 99 15.858 2.857 -12.230 1.00 0.00 C ATOM 1602 CD1 ILE A 99 15.945 5.469 -10.973 1.00 0.00 C ATOM 0 H ILE A 99 13.579 3.233 -8.991 1.00 0.00 H new ATOM 0 HA ILE A 99 13.338 2.293 -11.578 1.00 0.00 H new ATOM 0 HB ILE A 99 15.969 2.727 -10.112 1.00 0.00 H new ATOM 0 HG12 ILE A 99 13.956 4.721 -11.141 1.00 0.00 H new ATOM 0 HG13 ILE A 99 14.638 4.598 -9.532 1.00 0.00 H new ATOM 0 HG21 ILE A 99 16.735 3.499 -12.312 1.00 0.00 H new ATOM 0 HG22 ILE A 99 16.155 1.817 -12.368 1.00 0.00 H new ATOM 0 HG23 ILE A 99 15.134 3.132 -12.997 1.00 0.00 H new ATOM 0 HD11 ILE A 99 15.606 6.481 -10.752 1.00 0.00 H new ATOM 0 HD12 ILE A 99 16.850 5.258 -10.404 1.00 0.00 H new ATOM 0 HD13 ILE A 99 16.158 5.382 -12.038 1.00 0.00 H new ATOM 1614 N ALA A 100 15.059 0.370 -9.537 1.00 0.00 N ATOM 1615 CA ALA A 100 15.572 -0.967 -9.286 1.00 0.00 C ATOM 1616 C ALA A 100 14.459 -1.980 -9.068 1.00 0.00 C ATOM 1617 O ALA A 100 14.718 -3.171 -8.898 1.00 0.00 O ATOM 1618 CB ALA A 100 16.503 -0.945 -8.084 1.00 0.00 C ATOM 0 H ALA A 100 15.217 1.027 -8.773 1.00 0.00 H new ATOM 0 HA ALA A 100 16.123 -1.279 -10.173 1.00 0.00 H new ATOM 0 HB1 ALA A 100 16.884 -1.950 -7.901 1.00 0.00 H new ATOM 0 HB2 ALA A 100 17.336 -0.271 -8.282 1.00 0.00 H new ATOM 0 HB3 ALA A 100 15.956 -0.599 -7.207 1.00 0.00 H new ATOM 1624 N LYS A 101 13.228 -1.505 -9.048 1.00 0.00 N ATOM 1625 CA LYS A 101 12.094 -2.366 -8.823 1.00 0.00 C ATOM 1626 C LYS A 101 11.257 -2.568 -10.079 1.00 0.00 C ATOM 1627 O LYS A 101 10.767 -3.665 -10.344 1.00 0.00 O ATOM 1628 CB LYS A 101 11.249 -1.769 -7.724 1.00 0.00 C ATOM 1629 CG LYS A 101 11.925 -1.775 -6.368 1.00 0.00 C ATOM 1630 CD LYS A 101 12.568 -3.111 -6.039 1.00 0.00 C ATOM 1631 CE LYS A 101 11.531 -4.203 -5.841 1.00 0.00 C ATOM 1632 NZ LYS A 101 11.775 -5.372 -6.732 1.00 0.00 N ATOM 0 H LYS A 101 12.992 -0.522 -9.186 1.00 0.00 H new ATOM 0 HA LYS A 101 12.463 -3.350 -8.534 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.995 -0.743 -7.989 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.312 -2.322 -7.656 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.685 -0.994 -6.342 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.191 -1.531 -5.600 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.246 -3.396 -6.843 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.169 -3.012 -5.135 1.00 0.00 H new ATOM 0 HE2 LYS A 101 11.543 -4.531 -4.801 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.538 -3.799 -6.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 11.179 -6.169 -6.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 11.540 -5.116 -7.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 12.776 -5.648 -6.677 1.00 0.00 H new ATOM 1646 N GLY A 102 11.079 -1.496 -10.833 1.00 0.00 N ATOM 1647 CA GLY A 102 10.277 -1.566 -12.043 1.00 0.00 C ATOM 1648 C GLY A 102 8.829 -1.892 -11.733 1.00 0.00 C ATOM 1649 O GLY A 102 8.248 -2.808 -12.316 1.00 0.00 O ATOM 0 H GLY A 102 11.474 -0.577 -10.632 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.331 -0.615 -12.572 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.687 -2.325 -12.709 1.00 0.00 H new ATOM 1653 N LEU A 103 8.256 -1.149 -10.790 1.00 0.00 N ATOM 1654 CA LEU A 103 6.875 -1.362 -10.366 1.00 0.00 C ATOM 1655 C LEU A 103 5.876 -0.657 -11.286 1.00 0.00 C ATOM 1656 O LEU A 103 6.190 -0.329 -12.429 1.00 0.00 O ATOM 1657 CB LEU A 103 6.699 -0.878 -8.926 1.00 0.00 C ATOM 1658 CG LEU A 103 7.873 -1.191 -7.993 1.00 0.00 C ATOM 1659 CD1 LEU A 103 8.636 0.078 -7.648 1.00 0.00 C ATOM 1660 CD2 LEU A 103 7.378 -1.881 -6.731 1.00 0.00 C ATOM 0 H LEU A 103 8.730 -0.389 -10.302 1.00 0.00 H new ATOM 0 HA LEU A 103 6.669 -2.431 -10.424 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.540 0.200 -8.937 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.796 -1.329 -8.514 1.00 0.00 H new ATOM 0 HG LEU A 103 8.554 -1.867 -8.510 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.466 -0.165 -6.985 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.022 0.530 -8.562 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.968 0.780 -7.150 1.00 0.00 H new ATOM 0 HD21 LEU A 103 8.224 -2.097 -6.079 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.676 -1.229 -6.211 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.879 -2.813 -6.998 1.00 0.00 H new