USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 849 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 84 MET CE :methyl 145:sc= -0.87 (180deg=-3.77!) USER MOD Set 1.2: A 86 CYS SG : rot 84:sc= -2.37! USER MOD Set 2.1: A 50 ASN : amide:sc= -0.684 K(o=-1,f=-0.071) USER MOD Set 2.2: A 69 MET CE :methyl 163:sc= -0.344 (180deg=-0.756) USER MOD Set 3.1: A 59 LYS NZ :NH3+ 144:sc= -2.09 (180deg=-1.44) USER MOD Set 3.2: A 61 ASN : amide:sc= -1.35 K(o=-3.4,f=-11!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 55:sc= 0.551 USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.562 X(o=-0.56,f=-0.37) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 30 THR OG1 : rot 180:sc= -1.49 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -1.12 K(o=-1.1,f=-3.3!) USER MOD Single : A 33 SER OG : rot -102:sc= -0.764 USER MOD Single : A 35 THR OG1 : rot 69:sc= 1.13 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.698 K(o=-0.7,f=-1.5) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -145:sc= -0.227 (180deg=-1.6!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.208 X(o=-0.21,f=0) USER MOD Single : A 67 CYS SG : rot 125:sc= 1.66 USER MOD Single : A 68 TYR OH : rot 180:sc= -0.978 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -171:sc= -0.0631 (180deg=-0.117) USER MOD Single : A 74 GLN : amide:sc= -3.01! C(o=-3!,f=-5.6!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -157:sc= 1.44 USER MOD Single : A 94 ASN : amide:sc= -3.62 K(o=-3.6,f=-12!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.6 USER MOD Single : A 99 SER OG : rot -71:sc=0.000755 USER MOD Single : A 102 SER OG : rot 130:sc= 0.138 USER MOD Single : A 107 TYR OH : rot 171:sc= -0.855 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -164:sc= 0.651 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 CYS SG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.070 11.103 7.769 1.00 0.00 N ATOM 2 CA GLY A 1 -26.692 10.798 8.109 1.00 0.00 C ATOM 3 C GLY A 1 -25.703 11.654 7.343 1.00 0.00 C ATOM 4 O GLY A 1 -24.922 11.144 6.540 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.707 10.492 8.319 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.270 12.099 7.991 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.222 10.937 6.754 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.544 10.946 9.179 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.494 9.746 7.902 1.00 0.00 H new ATOM 8 N SER A 2 -25.737 12.960 7.590 1.00 0.00 N ATOM 9 CA SER A 2 -24.840 13.889 6.913 1.00 0.00 C ATOM 10 C SER A 2 -23.443 13.836 7.522 1.00 0.00 C ATOM 11 O SER A 2 -23.216 14.329 8.627 1.00 0.00 O ATOM 12 CB SER A 2 -25.391 15.314 6.995 1.00 0.00 C ATOM 13 OG SER A 2 -24.791 16.150 6.021 1.00 0.00 O ATOM 0 H SER A 2 -26.376 13.398 8.254 1.00 0.00 H new ATOM 0 HA SER A 2 -24.772 13.593 5.866 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.471 15.298 6.850 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.209 15.721 7.990 1.00 0.00 H new ATOM 0 HG SER A 2 -25.161 17.054 6.093 1.00 0.00 H new ATOM 19 N SER A 3 -22.508 13.235 6.792 1.00 0.00 N ATOM 20 CA SER A 3 -21.133 13.113 7.261 1.00 0.00 C ATOM 21 C SER A 3 -20.211 14.052 6.489 1.00 0.00 C ATOM 22 O SER A 3 -20.423 14.315 5.306 1.00 0.00 O ATOM 23 CB SER A 3 -20.648 11.670 7.115 1.00 0.00 C ATOM 24 OG SER A 3 -19.370 11.499 7.704 1.00 0.00 O ATOM 0 H SER A 3 -22.678 12.825 5.874 1.00 0.00 H new ATOM 0 HA SER A 3 -21.108 13.392 8.314 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.362 10.994 7.585 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.604 11.403 6.059 1.00 0.00 H new ATOM 0 HG SER A 3 -19.083 10.568 7.599 1.00 0.00 H new ATOM 30 N GLY A 4 -19.185 14.556 7.169 1.00 0.00 N ATOM 31 CA GLY A 4 -18.246 15.460 6.533 1.00 0.00 C ATOM 32 C GLY A 4 -18.516 16.912 6.876 1.00 0.00 C ATOM 33 O GLY A 4 -19.210 17.612 6.139 1.00 0.00 O ATOM 0 H GLY A 4 -18.988 14.354 8.149 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.232 15.200 6.838 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.296 15.330 5.452 1.00 0.00 H new ATOM 37 N SER A 5 -17.967 17.365 7.999 1.00 0.00 N ATOM 38 CA SER A 5 -18.157 18.742 8.441 1.00 0.00 C ATOM 39 C SER A 5 -17.116 19.663 7.813 1.00 0.00 C ATOM 40 O SER A 5 -17.212 20.886 7.913 1.00 0.00 O ATOM 41 CB SER A 5 -18.075 18.825 9.966 1.00 0.00 C ATOM 42 OG SER A 5 -16.861 18.271 10.443 1.00 0.00 O ATOM 0 H SER A 5 -17.388 16.799 8.619 1.00 0.00 H new ATOM 0 HA SER A 5 -19.146 19.068 8.119 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.152 19.866 10.281 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.919 18.295 10.408 1.00 0.00 H new ATOM 0 HG SER A 5 -16.833 18.338 11.420 1.00 0.00 H new ATOM 48 N SER A 6 -16.121 19.065 7.165 1.00 0.00 N ATOM 49 CA SER A 6 -15.058 19.831 6.523 1.00 0.00 C ATOM 50 C SER A 6 -14.836 19.356 5.090 1.00 0.00 C ATOM 51 O SER A 6 -14.129 18.378 4.851 1.00 0.00 O ATOM 52 CB SER A 6 -13.759 19.707 7.321 1.00 0.00 C ATOM 53 OG SER A 6 -13.911 20.229 8.629 1.00 0.00 O ATOM 0 H SER A 6 -16.029 18.054 7.071 1.00 0.00 H new ATOM 0 HA SER A 6 -15.362 20.878 6.497 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.462 18.660 7.377 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.960 20.239 6.805 1.00 0.00 H new ATOM 0 HG SER A 6 -13.067 20.136 9.118 1.00 0.00 H new ATOM 59 N GLY A 7 -15.448 20.056 4.140 1.00 0.00 N ATOM 60 CA GLY A 7 -15.305 19.692 2.742 1.00 0.00 C ATOM 61 C GLY A 7 -14.987 20.885 1.862 1.00 0.00 C ATOM 62 O GLY A 7 -15.703 21.164 0.901 1.00 0.00 O ATOM 0 H GLY A 7 -16.040 20.868 4.313 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.513 18.949 2.642 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.226 19.224 2.395 1.00 0.00 H new ATOM 66 N ALA A 8 -13.910 21.591 2.192 1.00 0.00 N ATOM 67 CA ALA A 8 -13.499 22.759 1.424 1.00 0.00 C ATOM 68 C ALA A 8 -12.315 22.433 0.520 1.00 0.00 C ATOM 69 O ALA A 8 -11.341 21.818 0.955 1.00 0.00 O ATOM 70 CB ALA A 8 -13.150 23.909 2.358 1.00 0.00 C ATOM 0 H ALA A 8 -13.307 21.374 2.986 1.00 0.00 H new ATOM 0 HA ALA A 8 -14.334 23.059 0.791 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.845 24.775 1.771 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -14.022 24.167 2.959 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.333 23.609 3.014 1.00 0.00 H new ATOM 76 N GLU A 9 -12.406 22.848 -0.740 1.00 0.00 N ATOM 77 CA GLU A 9 -11.342 22.597 -1.705 1.00 0.00 C ATOM 78 C GLU A 9 -10.514 23.857 -1.942 1.00 0.00 C ATOM 79 O GLU A 9 -10.284 24.255 -3.084 1.00 0.00 O ATOM 80 CB GLU A 9 -11.929 22.103 -3.029 1.00 0.00 C ATOM 81 CG GLU A 9 -12.853 23.107 -3.697 1.00 0.00 C ATOM 82 CD GLU A 9 -12.918 22.929 -5.202 1.00 0.00 C ATOM 83 OE1 GLU A 9 -13.131 21.785 -5.655 1.00 0.00 O ATOM 84 OE2 GLU A 9 -12.756 23.934 -5.925 1.00 0.00 O ATOM 0 H GLU A 9 -13.205 23.359 -1.116 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.690 21.826 -1.295 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.114 21.863 -3.711 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.479 21.179 -2.851 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.855 23.007 -3.279 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.512 24.117 -3.469 1.00 0.00 H new ATOM 91 N ILE A 10 -10.072 24.480 -0.855 1.00 0.00 N ATOM 92 CA ILE A 10 -9.270 25.694 -0.944 1.00 0.00 C ATOM 93 C ILE A 10 -7.794 25.365 -1.142 1.00 0.00 C ATOM 94 O ILE A 10 -6.926 25.940 -0.485 1.00 0.00 O ATOM 95 CB ILE A 10 -9.426 26.566 0.316 1.00 0.00 C ATOM 96 CG1 ILE A 10 -9.005 25.781 1.560 1.00 0.00 C ATOM 97 CG2 ILE A 10 -10.861 27.051 0.450 1.00 0.00 C ATOM 98 CD1 ILE A 10 -8.576 26.661 2.713 1.00 0.00 C ATOM 0 H ILE A 10 -10.256 24.164 0.097 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.635 26.250 -1.808 1.00 0.00 H new ATOM 0 HB ILE A 10 -8.777 27.436 0.221 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.836 25.153 1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.184 25.113 1.298 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -10.955 27.666 1.345 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -11.129 27.642 -0.426 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -11.529 26.193 0.527 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.291 26.037 3.560 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.725 27.270 2.409 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.402 27.311 3.002 1.00 0.00 H new ATOM 110 N PHE A 11 -7.517 24.438 -2.052 1.00 0.00 N ATOM 111 CA PHE A 11 -6.146 24.032 -2.338 1.00 0.00 C ATOM 112 C PHE A 11 -5.632 24.706 -3.607 1.00 0.00 C ATOM 113 O PHE A 11 -5.962 24.294 -4.720 1.00 0.00 O ATOM 114 CB PHE A 11 -6.061 22.512 -2.484 1.00 0.00 C ATOM 115 CG PHE A 11 -6.253 21.773 -1.190 1.00 0.00 C ATOM 116 CD1 PHE A 11 -7.524 21.439 -0.750 1.00 0.00 C ATOM 117 CD2 PHE A 11 -5.163 21.413 -0.414 1.00 0.00 C ATOM 118 CE1 PHE A 11 -7.703 20.760 0.440 1.00 0.00 C ATOM 119 CE2 PHE A 11 -5.336 20.734 0.777 1.00 0.00 C ATOM 120 CZ PHE A 11 -6.608 20.406 1.204 1.00 0.00 C ATOM 0 H PHE A 11 -8.224 23.953 -2.605 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.520 24.345 -1.503 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.816 22.181 -3.198 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.089 22.249 -2.902 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -8.384 21.712 -1.344 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.166 21.666 -0.744 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.699 20.506 0.773 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.478 20.460 1.373 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.746 19.874 2.134 1.00 0.00 H new ATOM 130 N THR A 12 -4.823 25.746 -3.432 1.00 0.00 N ATOM 131 CA THR A 12 -4.265 26.479 -4.561 1.00 0.00 C ATOM 132 C THR A 12 -2.990 25.817 -5.070 1.00 0.00 C ATOM 133 O THR A 12 -2.887 25.463 -6.245 1.00 0.00 O ATOM 134 CB THR A 12 -3.957 27.941 -4.186 1.00 0.00 C ATOM 135 OG1 THR A 12 -5.135 28.574 -3.675 1.00 0.00 O ATOM 136 CG2 THR A 12 -3.442 28.712 -5.391 1.00 0.00 C ATOM 0 H THR A 12 -4.540 26.100 -2.518 1.00 0.00 H new ATOM 0 HA THR A 12 -5.018 26.466 -5.349 1.00 0.00 H new ATOM 0 HB THR A 12 -3.183 27.941 -3.418 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.931 29.502 -3.437 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.232 29.742 -5.101 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.529 28.245 -5.759 1.00 0.00 H new ATOM 0 HG23 THR A 12 -4.196 28.703 -6.178 1.00 0.00 H new ATOM 144 N THR A 13 -2.018 25.652 -4.178 1.00 0.00 N ATOM 145 CA THR A 13 -0.748 25.032 -4.537 1.00 0.00 C ATOM 146 C THR A 13 -0.750 23.544 -4.209 1.00 0.00 C ATOM 147 O THR A 13 -1.534 23.082 -3.379 1.00 0.00 O ATOM 148 CB THR A 13 0.431 25.705 -3.809 1.00 0.00 C ATOM 149 OG1 THR A 13 0.129 27.082 -3.556 1.00 0.00 O ATOM 150 CG2 THR A 13 1.705 25.604 -4.634 1.00 0.00 C ATOM 0 H THR A 13 -2.086 25.939 -3.202 1.00 0.00 H new ATOM 0 HA THR A 13 -0.625 25.164 -5.612 1.00 0.00 H new ATOM 0 HB THR A 13 0.588 25.188 -2.862 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.883 27.502 -3.091 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.524 26.086 -4.100 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.948 24.555 -4.800 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.557 26.099 -5.594 1.00 0.00 H new ATOM 158 N LEU A 14 0.131 22.797 -4.865 1.00 0.00 N ATOM 159 CA LEU A 14 0.232 21.359 -4.642 1.00 0.00 C ATOM 160 C LEU A 14 1.414 21.029 -3.737 1.00 0.00 C ATOM 161 O LEU A 14 2.206 20.135 -4.034 1.00 0.00 O ATOM 162 CB LEU A 14 0.376 20.625 -5.976 1.00 0.00 C ATOM 163 CG LEU A 14 -0.564 21.076 -7.095 1.00 0.00 C ATOM 164 CD1 LEU A 14 -0.268 20.316 -8.379 1.00 0.00 C ATOM 165 CD2 LEU A 14 -2.016 20.885 -6.682 1.00 0.00 C ATOM 0 H LEU A 14 0.786 23.163 -5.556 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.682 21.028 -4.149 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.403 20.741 -6.323 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.217 19.561 -5.801 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.397 22.137 -7.278 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.946 20.650 -9.164 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.761 20.505 -8.684 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.406 19.248 -8.210 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.670 21.211 -7.491 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.198 19.831 -6.470 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.221 21.475 -5.789 1.00 0.00 H new ATOM 177 N SER A 15 1.527 21.756 -2.630 1.00 0.00 N ATOM 178 CA SER A 15 2.614 21.543 -1.682 1.00 0.00 C ATOM 179 C SER A 15 2.112 20.824 -0.433 1.00 0.00 C ATOM 180 O SER A 15 1.772 21.458 0.567 1.00 0.00 O ATOM 181 CB SER A 15 3.251 22.878 -1.294 1.00 0.00 C ATOM 182 OG SER A 15 2.281 23.776 -0.781 1.00 0.00 O ATOM 0 H SER A 15 0.878 22.498 -2.368 1.00 0.00 H new ATOM 0 HA SER A 15 3.365 20.917 -2.164 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.027 22.711 -0.547 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.736 23.320 -2.164 1.00 0.00 H new ATOM 0 HG SER A 15 1.803 23.352 -0.038 1.00 0.00 H new ATOM 188 N CYS A 16 2.069 19.498 -0.499 1.00 0.00 N ATOM 189 CA CYS A 16 1.608 18.691 0.626 1.00 0.00 C ATOM 190 C CYS A 16 1.792 17.204 0.340 1.00 0.00 C ATOM 191 O CYS A 16 1.997 16.804 -0.805 1.00 0.00 O ATOM 192 CB CYS A 16 0.137 18.987 0.923 1.00 0.00 C ATOM 193 SG CYS A 16 -0.976 18.666 -0.464 1.00 0.00 S ATOM 0 H CYS A 16 2.347 18.959 -1.319 1.00 0.00 H new ATOM 0 HA CYS A 16 2.207 18.952 1.498 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.179 18.385 1.775 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.040 20.032 1.218 1.00 0.00 H new ATOM 0 HG CYS A 16 -2.197 18.944 -0.114 1.00 0.00 H new ATOM 199 N GLU A 17 1.720 16.392 1.390 1.00 0.00 N ATOM 200 CA GLU A 17 1.881 14.949 1.251 1.00 0.00 C ATOM 201 C GLU A 17 1.036 14.416 0.098 1.00 0.00 C ATOM 202 O GLU A 17 -0.042 14.929 -0.204 1.00 0.00 O ATOM 203 CB GLU A 17 1.494 14.243 2.551 1.00 0.00 C ATOM 204 CG GLU A 17 -0.004 14.058 2.721 1.00 0.00 C ATOM 205 CD GLU A 17 -0.739 15.374 2.885 1.00 0.00 C ATOM 206 OE1 GLU A 17 -0.148 16.317 3.452 1.00 0.00 O ATOM 207 OE2 GLU A 17 -1.906 15.462 2.448 1.00 0.00 O ATOM 0 H GLU A 17 1.551 16.708 2.345 1.00 0.00 H new ATOM 0 HA GLU A 17 2.930 14.745 1.034 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.978 13.267 2.582 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.879 14.817 3.394 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.402 13.529 1.855 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.192 13.430 3.592 1.00 0.00 H new ATOM 214 N PRO A 18 1.535 13.360 -0.562 1.00 0.00 N ATOM 215 CA PRO A 18 0.842 12.733 -1.692 1.00 0.00 C ATOM 216 C PRO A 18 -0.418 11.991 -1.260 1.00 0.00 C ATOM 217 O PRO A 18 -0.683 11.841 -0.067 1.00 0.00 O ATOM 218 CB PRO A 18 1.879 11.751 -2.243 1.00 0.00 C ATOM 219 CG PRO A 18 2.762 11.442 -1.083 1.00 0.00 C ATOM 220 CD PRO A 18 2.814 12.697 -0.256 1.00 0.00 C ATOM 0 HA PRO A 18 0.502 13.469 -2.421 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.404 10.850 -2.630 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.444 12.191 -3.064 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.366 10.608 -0.503 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.759 11.153 -1.417 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.907 12.474 0.807 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.665 13.322 -0.527 1.00 0.00 H new ATOM 228 N ASP A 19 -1.191 11.529 -2.236 1.00 0.00 N ATOM 229 CA ASP A 19 -2.423 10.800 -1.956 1.00 0.00 C ATOM 230 C ASP A 19 -2.119 9.392 -1.455 1.00 0.00 C ATOM 231 O ASP A 19 -1.119 8.787 -1.842 1.00 0.00 O ATOM 232 CB ASP A 19 -3.296 10.732 -3.210 1.00 0.00 C ATOM 233 CG ASP A 19 -4.470 9.787 -3.047 1.00 0.00 C ATOM 234 OD1 ASP A 19 -5.541 10.245 -2.596 1.00 0.00 O ATOM 235 OD2 ASP A 19 -4.319 8.590 -3.369 1.00 0.00 O ATOM 0 H ASP A 19 -0.987 11.646 -3.228 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.964 11.335 -1.175 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.666 11.730 -3.446 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.688 10.409 -4.055 1.00 0.00 H new ATOM 240 N ILE A 20 -2.989 8.876 -0.593 1.00 0.00 N ATOM 241 CA ILE A 20 -2.813 7.539 -0.039 1.00 0.00 C ATOM 242 C ILE A 20 -2.780 6.487 -1.143 1.00 0.00 C ATOM 243 O ILE A 20 -3.746 6.296 -1.881 1.00 0.00 O ATOM 244 CB ILE A 20 -3.936 7.189 0.955 1.00 0.00 C ATOM 245 CG1 ILE A 20 -3.910 8.149 2.146 1.00 0.00 C ATOM 246 CG2 ILE A 20 -3.799 5.749 1.424 1.00 0.00 C ATOM 247 CD1 ILE A 20 -5.122 8.032 3.043 1.00 0.00 C ATOM 0 H ILE A 20 -3.822 9.363 -0.263 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.859 7.539 0.489 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.895 7.295 0.449 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.013 7.960 2.735 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.839 9.172 1.776 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.600 5.517 2.126 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.863 5.079 0.566 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.836 5.617 1.916 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.036 8.742 3.866 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.022 8.250 2.469 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.183 7.020 3.442 1.00 0.00 H new ATOM 259 N PRO A 21 -1.643 5.786 -1.258 1.00 0.00 N ATOM 260 CA PRO A 21 -1.457 4.739 -2.267 1.00 0.00 C ATOM 261 C PRO A 21 -2.305 3.504 -1.984 1.00 0.00 C ATOM 262 O PRO A 21 -2.529 3.144 -0.829 1.00 0.00 O ATOM 263 CB PRO A 21 0.032 4.401 -2.158 1.00 0.00 C ATOM 264 CG PRO A 21 0.404 4.774 -0.764 1.00 0.00 C ATOM 265 CD PRO A 21 -0.451 5.960 -0.411 1.00 0.00 C ATOM 0 HA PRO A 21 -1.761 5.071 -3.260 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.213 3.343 -2.346 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.619 4.959 -2.887 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.226 3.946 -0.078 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.463 5.022 -0.696 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.709 5.969 0.648 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.059 6.900 -0.623 1.00 0.00 H new ATOM 273 N ASN A 22 -2.775 2.857 -3.046 1.00 0.00 N ATOM 274 CA ASN A 22 -3.599 1.662 -2.911 1.00 0.00 C ATOM 275 C ASN A 22 -2.881 0.596 -2.088 1.00 0.00 C ATOM 276 O ASN A 22 -1.652 0.538 -2.040 1.00 0.00 O ATOM 277 CB ASN A 22 -3.954 1.104 -4.291 1.00 0.00 C ATOM 278 CG ASN A 22 -4.093 2.193 -5.337 1.00 0.00 C ATOM 279 OD1 ASN A 22 -5.134 2.842 -5.440 1.00 0.00 O ATOM 280 ND2 ASN A 22 -3.040 2.397 -6.120 1.00 0.00 N ATOM 0 H ASN A 22 -2.599 3.141 -4.010 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.516 1.940 -2.392 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.183 0.400 -4.604 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -4.888 0.546 -4.225 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.074 3.116 -6.843 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -2.198 1.835 -5.999 1.00 0.00 H new ATOM 287 N PRO A 23 -3.665 -0.268 -1.426 1.00 0.00 N ATOM 288 CA PRO A 23 -3.126 -1.348 -0.595 1.00 0.00 C ATOM 289 C PRO A 23 -2.457 -2.439 -1.423 1.00 0.00 C ATOM 290 O PRO A 23 -2.865 -2.738 -2.546 1.00 0.00 O ATOM 291 CB PRO A 23 -4.364 -1.900 0.116 1.00 0.00 C ATOM 292 CG PRO A 23 -5.501 -1.562 -0.786 1.00 0.00 C ATOM 293 CD PRO A 23 -5.137 -0.257 -1.439 1.00 0.00 C ATOM 0 HA PRO A 23 -2.351 -0.991 0.083 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.286 -2.976 0.268 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.491 -1.447 1.099 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.653 -2.342 -1.532 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.431 -1.472 -0.225 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -5.529 -0.192 -2.454 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.537 0.594 -0.888 1.00 0.00 H new ATOM 301 N PRO A 24 -1.404 -3.049 -0.860 1.00 0.00 N ATOM 302 CA PRO A 24 -0.656 -4.118 -1.529 1.00 0.00 C ATOM 303 C PRO A 24 -1.464 -5.405 -1.646 1.00 0.00 C ATOM 304 O PRO A 24 -2.302 -5.703 -0.795 1.00 0.00 O ATOM 305 CB PRO A 24 0.556 -4.328 -0.618 1.00 0.00 C ATOM 306 CG PRO A 24 0.103 -3.869 0.726 1.00 0.00 C ATOM 307 CD PRO A 24 -0.862 -2.744 0.475 1.00 0.00 C ATOM 0 HA PRO A 24 -0.395 -3.853 -2.553 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.859 -5.375 -0.598 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.416 -3.754 -0.964 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.377 -4.680 1.274 1.00 0.00 H new ATOM 0 HG3 PRO A 24 0.947 -3.532 1.328 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -1.648 -2.713 1.230 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.363 -1.775 0.494 1.00 0.00 H new ATOM 315 N ARG A 25 -1.207 -6.166 -2.705 1.00 0.00 N ATOM 316 CA ARG A 25 -1.912 -7.422 -2.933 1.00 0.00 C ATOM 317 C ARG A 25 -0.957 -8.608 -2.828 1.00 0.00 C ATOM 318 O ARG A 25 0.262 -8.436 -2.808 1.00 0.00 O ATOM 319 CB ARG A 25 -2.581 -7.413 -4.309 1.00 0.00 C ATOM 320 CG ARG A 25 -1.637 -7.048 -5.443 1.00 0.00 C ATOM 321 CD ARG A 25 -2.321 -7.166 -6.796 1.00 0.00 C ATOM 322 NE ARG A 25 -3.074 -5.962 -7.136 1.00 0.00 N ATOM 323 CZ ARG A 25 -3.436 -5.646 -8.374 1.00 0.00 C ATOM 324 NH1 ARG A 25 -3.116 -6.442 -9.385 1.00 0.00 N ATOM 325 NH2 ARG A 25 -4.121 -4.533 -8.603 1.00 0.00 N ATOM 0 H ARG A 25 -0.516 -5.935 -3.419 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.678 -7.525 -2.164 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.005 -8.398 -4.504 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.410 -6.706 -4.296 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.276 -6.029 -5.304 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.765 -7.701 -5.417 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.572 -7.354 -7.565 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.993 -8.024 -6.789 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.336 -5.329 -6.381 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.591 -7.299 -9.213 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.395 -6.197 -10.335 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.370 -3.919 -7.828 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.398 -4.291 -9.554 1.00 0.00 H new ATOM 339 N ILE A 26 -1.520 -9.809 -2.760 1.00 0.00 N ATOM 340 CA ILE A 26 -0.720 -11.023 -2.656 1.00 0.00 C ATOM 341 C ILE A 26 -0.437 -11.614 -4.034 1.00 0.00 C ATOM 342 O ILE A 26 -1.358 -11.881 -4.806 1.00 0.00 O ATOM 343 CB ILE A 26 -1.417 -12.085 -1.787 1.00 0.00 C ATOM 344 CG1 ILE A 26 -1.147 -11.820 -0.305 1.00 0.00 C ATOM 345 CG2 ILE A 26 -0.948 -13.479 -2.176 1.00 0.00 C ATOM 346 CD1 ILE A 26 0.276 -12.117 0.113 1.00 0.00 C ATOM 0 H ILE A 26 -2.527 -9.968 -2.775 1.00 0.00 H new ATOM 0 HA ILE A 26 0.221 -10.741 -2.184 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.492 -12.024 -1.957 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.372 -10.777 -0.084 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.827 -12.426 0.294 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.450 -14.219 -1.553 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.187 -13.664 -3.223 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.130 -13.554 -2.031 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.395 -11.906 1.176 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.499 -13.167 -0.076 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.961 -11.492 -0.459 1.00 0.00 H new ATOM 358 N ALA A 27 0.841 -11.817 -4.333 1.00 0.00 N ATOM 359 CA ALA A 27 1.245 -12.381 -5.616 1.00 0.00 C ATOM 360 C ALA A 27 1.831 -13.778 -5.441 1.00 0.00 C ATOM 361 O ALA A 27 1.948 -14.536 -6.403 1.00 0.00 O ATOM 362 CB ALA A 27 2.249 -11.467 -6.302 1.00 0.00 C ATOM 0 H ALA A 27 1.615 -11.600 -3.705 1.00 0.00 H new ATOM 0 HA ALA A 27 0.358 -12.464 -6.244 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.542 -11.901 -7.258 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.796 -10.490 -6.470 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.130 -11.355 -5.670 1.00 0.00 H new ATOM 368 N ASN A 28 2.199 -14.110 -4.208 1.00 0.00 N ATOM 369 CA ASN A 28 2.775 -15.416 -3.909 1.00 0.00 C ATOM 370 C ASN A 28 3.005 -15.578 -2.409 1.00 0.00 C ATOM 371 O ASN A 28 3.823 -14.874 -1.817 1.00 0.00 O ATOM 372 CB ASN A 28 4.094 -15.600 -4.661 1.00 0.00 C ATOM 373 CG ASN A 28 4.613 -17.022 -4.580 1.00 0.00 C ATOM 374 OD1 ASN A 28 3.886 -17.977 -4.852 1.00 0.00 O ATOM 375 ND2 ASN A 28 5.878 -17.170 -4.202 1.00 0.00 N ATOM 0 H ASN A 28 2.109 -13.493 -3.400 1.00 0.00 H new ATOM 0 HA ASN A 28 2.069 -16.180 -4.236 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.954 -15.326 -5.707 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.841 -14.920 -4.251 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.282 -18.104 -4.128 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.445 -16.350 -3.986 1.00 0.00 H new ATOM 382 N ARG A 29 2.279 -16.511 -1.802 1.00 0.00 N ATOM 383 CA ARG A 29 2.404 -16.765 -0.372 1.00 0.00 C ATOM 384 C ARG A 29 2.520 -18.261 -0.093 1.00 0.00 C ATOM 385 O ARG A 29 1.915 -19.082 -0.784 1.00 0.00 O ATOM 386 CB ARG A 29 1.201 -16.189 0.377 1.00 0.00 C ATOM 387 CG ARG A 29 -0.107 -16.900 0.068 1.00 0.00 C ATOM 388 CD ARG A 29 -1.082 -16.803 1.231 1.00 0.00 C ATOM 389 NE ARG A 29 -2.292 -17.587 0.997 1.00 0.00 N ATOM 390 CZ ARG A 29 -3.270 -17.205 0.185 1.00 0.00 C ATOM 391 NH1 ARG A 29 -3.181 -16.055 -0.470 1.00 0.00 N ATOM 392 NH2 ARG A 29 -4.340 -17.973 0.024 1.00 0.00 N ATOM 0 H ARG A 29 1.598 -17.103 -2.278 1.00 0.00 H new ATOM 0 HA ARG A 29 3.312 -16.275 -0.020 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.391 -16.245 1.449 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.099 -15.133 0.126 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.558 -16.464 -0.823 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.091 -17.948 -0.155 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.595 -17.151 2.142 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.352 -15.759 1.392 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.391 -18.477 1.485 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.360 -15.462 -0.350 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.934 -15.764 -1.093 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.412 -18.859 0.525 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.090 -17.678 -0.600 1.00 0.00 H new ATOM 406 N THR A 30 3.303 -18.610 0.923 1.00 0.00 N ATOM 407 CA THR A 30 3.501 -20.006 1.292 1.00 0.00 C ATOM 408 C THR A 30 3.344 -20.205 2.795 1.00 0.00 C ATOM 409 O THR A 30 3.024 -19.268 3.526 1.00 0.00 O ATOM 410 CB THR A 30 4.892 -20.509 0.861 1.00 0.00 C ATOM 411 OG1 THR A 30 5.906 -19.885 1.656 1.00 0.00 O ATOM 412 CG2 THR A 30 5.142 -20.215 -0.610 1.00 0.00 C ATOM 0 H THR A 30 3.811 -17.944 1.505 1.00 0.00 H new ATOM 0 HA THR A 30 2.737 -20.582 0.770 1.00 0.00 H new ATOM 0 HB THR A 30 4.926 -21.588 1.010 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.787 -20.211 1.377 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.130 -20.579 -0.891 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.385 -20.715 -1.215 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.090 -19.140 -0.780 1.00 0.00 H new ATOM 420 N LYS A 31 3.572 -21.432 3.251 1.00 0.00 N ATOM 421 CA LYS A 31 3.458 -21.755 4.668 1.00 0.00 C ATOM 422 C LYS A 31 4.435 -20.926 5.496 1.00 0.00 C ATOM 423 O LYS A 31 4.117 -20.499 6.605 1.00 0.00 O ATOM 424 CB LYS A 31 3.718 -23.246 4.895 1.00 0.00 C ATOM 425 CG LYS A 31 2.843 -24.152 4.047 1.00 0.00 C ATOM 426 CD LYS A 31 1.539 -24.488 4.752 1.00 0.00 C ATOM 427 CE LYS A 31 0.717 -25.489 3.955 1.00 0.00 C ATOM 428 NZ LYS A 31 1.043 -26.894 4.326 1.00 0.00 N ATOM 0 H LYS A 31 3.837 -22.219 2.659 1.00 0.00 H new ATOM 0 HA LYS A 31 2.444 -21.516 4.989 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.765 -23.461 4.680 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.555 -23.479 5.947 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.628 -23.665 3.096 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.382 -25.072 3.820 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.753 -24.896 5.740 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.960 -23.577 4.902 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.344 -25.305 4.125 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.899 -25.343 2.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.462 -27.546 3.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.050 -27.078 4.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.845 -27.041 5.336 1.00 0.00 H new ATOM 442 N ASN A 32 5.625 -20.701 4.948 1.00 0.00 N ATOM 443 CA ASN A 32 6.648 -19.922 5.635 1.00 0.00 C ATOM 444 C ASN A 32 7.145 -18.779 4.755 1.00 0.00 C ATOM 445 O ASN A 32 8.350 -18.578 4.603 1.00 0.00 O ATOM 446 CB ASN A 32 7.821 -20.821 6.034 1.00 0.00 C ATOM 447 CG ASN A 32 7.364 -22.160 6.580 1.00 0.00 C ATOM 448 OD1 ASN A 32 6.732 -22.947 5.875 1.00 0.00 O ATOM 449 ND2 ASN A 32 7.683 -22.424 7.841 1.00 0.00 N ATOM 0 H ASN A 32 5.904 -21.047 4.030 1.00 0.00 H new ATOM 0 HA ASN A 32 6.202 -19.497 6.534 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.461 -20.985 5.167 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.426 -20.313 6.785 1.00 0.00 H new ATOM 0 HD21 ASN A 32 7.403 -23.309 8.263 1.00 0.00 H new ATOM 0 HD22 ASN A 32 8.208 -21.742 8.388 1.00 0.00 H new ATOM 456 N SER A 33 6.208 -18.034 4.178 1.00 0.00 N ATOM 457 CA SER A 33 6.550 -16.913 3.311 1.00 0.00 C ATOM 458 C SER A 33 5.300 -16.136 2.909 1.00 0.00 C ATOM 459 O SER A 33 4.181 -16.638 3.018 1.00 0.00 O ATOM 460 CB SER A 33 7.278 -17.411 2.061 1.00 0.00 C ATOM 461 OG SER A 33 8.025 -16.370 1.456 1.00 0.00 O ATOM 0 H SER A 33 5.206 -18.186 4.295 1.00 0.00 H new ATOM 0 HA SER A 33 7.210 -16.245 3.865 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.943 -18.233 2.327 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.554 -17.805 1.348 1.00 0.00 H new ATOM 0 HG SER A 33 7.541 -16.032 0.674 1.00 0.00 H new ATOM 467 N LEU A 34 5.499 -14.907 2.445 1.00 0.00 N ATOM 468 CA LEU A 34 4.389 -14.058 2.026 1.00 0.00 C ATOM 469 C LEU A 34 4.869 -12.958 1.084 1.00 0.00 C ATOM 470 O LEU A 34 5.632 -12.076 1.480 1.00 0.00 O ATOM 471 CB LEU A 34 3.706 -13.438 3.247 1.00 0.00 C ATOM 472 CG LEU A 34 2.496 -14.195 3.795 1.00 0.00 C ATOM 473 CD1 LEU A 34 2.129 -13.682 5.179 1.00 0.00 C ATOM 474 CD2 LEU A 34 1.313 -14.068 2.846 1.00 0.00 C ATOM 0 H LEU A 34 6.419 -14.476 2.349 1.00 0.00 H new ATOM 0 HA LEU A 34 3.670 -14.680 1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.444 -13.347 4.044 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.390 -12.427 2.988 1.00 0.00 H new ATOM 0 HG LEU A 34 2.758 -15.250 3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.266 -14.232 5.554 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.972 -13.825 5.855 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.886 -12.621 5.121 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.461 -14.613 3.252 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.050 -13.016 2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.580 -14.484 1.874 1.00 0.00 H new ATOM 486 N THR A 35 4.415 -13.015 -0.164 1.00 0.00 N ATOM 487 CA THR A 35 4.797 -12.024 -1.162 1.00 0.00 C ATOM 488 C THR A 35 3.705 -10.977 -1.343 1.00 0.00 C ATOM 489 O THR A 35 2.532 -11.311 -1.518 1.00 0.00 O ATOM 490 CB THR A 35 5.092 -12.682 -2.523 1.00 0.00 C ATOM 491 OG1 THR A 35 5.963 -13.805 -2.346 1.00 0.00 O ATOM 492 CG2 THR A 35 5.730 -11.685 -3.479 1.00 0.00 C ATOM 0 H THR A 35 3.782 -13.737 -0.508 1.00 0.00 H new ATOM 0 HA THR A 35 5.703 -11.541 -0.796 1.00 0.00 H new ATOM 0 HB THR A 35 4.148 -13.019 -2.951 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.485 -14.519 -1.874 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.929 -12.172 -4.433 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.052 -10.845 -3.635 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.666 -11.322 -3.055 1.00 0.00 H new ATOM 500 N LEU A 36 4.095 -9.708 -1.299 1.00 0.00 N ATOM 501 CA LEU A 36 3.148 -8.610 -1.460 1.00 0.00 C ATOM 502 C LEU A 36 3.608 -7.649 -2.551 1.00 0.00 C ATOM 503 O LEU A 36 4.759 -7.213 -2.562 1.00 0.00 O ATOM 504 CB LEU A 36 2.982 -7.857 -0.138 1.00 0.00 C ATOM 505 CG LEU A 36 2.519 -8.692 1.056 1.00 0.00 C ATOM 506 CD1 LEU A 36 3.025 -8.089 2.357 1.00 0.00 C ATOM 507 CD2 LEU A 36 1.001 -8.804 1.073 1.00 0.00 C ATOM 0 H LEU A 36 5.061 -9.414 -1.153 1.00 0.00 H new ATOM 0 HA LEU A 36 2.187 -9.032 -1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.936 -7.394 0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.266 -7.049 -0.290 1.00 0.00 H new ATOM 0 HG LEU A 36 2.936 -9.694 0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.686 -8.697 3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.115 -8.062 2.346 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.638 -7.076 2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.690 -9.402 1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.564 -7.808 1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.661 -9.282 0.154 1.00 0.00 H new ATOM 519 N GLN A 37 2.701 -7.321 -3.465 1.00 0.00 N ATOM 520 CA GLN A 37 3.014 -6.410 -4.559 1.00 0.00 C ATOM 521 C GLN A 37 2.068 -5.213 -4.558 1.00 0.00 C ATOM 522 O GLN A 37 0.854 -5.369 -4.428 1.00 0.00 O ATOM 523 CB GLN A 37 2.928 -7.141 -5.900 1.00 0.00 C ATOM 524 CG GLN A 37 4.103 -8.069 -6.163 1.00 0.00 C ATOM 525 CD GLN A 37 4.106 -8.622 -7.574 1.00 0.00 C ATOM 526 OE1 GLN A 37 3.051 -8.874 -8.157 1.00 0.00 O ATOM 527 NE2 GLN A 37 5.296 -8.813 -8.133 1.00 0.00 N ATOM 0 H GLN A 37 1.744 -7.673 -3.470 1.00 0.00 H new ATOM 0 HA GLN A 37 4.032 -6.047 -4.416 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.005 -7.720 -5.930 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.870 -6.405 -6.702 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.034 -7.530 -5.986 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.074 -8.896 -5.453 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.145 -8.591 -7.613 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.360 -9.182 -9.082 1.00 0.00 H new ATOM 536 N TRP A 38 2.633 -4.020 -4.704 1.00 0.00 N ATOM 537 CA TRP A 38 1.840 -2.796 -4.720 1.00 0.00 C ATOM 538 C TRP A 38 2.221 -1.915 -5.904 1.00 0.00 C ATOM 539 O TRP A 38 3.207 -2.177 -6.594 1.00 0.00 O ATOM 540 CB TRP A 38 2.030 -2.024 -3.413 1.00 0.00 C ATOM 541 CG TRP A 38 3.468 -1.772 -3.075 1.00 0.00 C ATOM 542 CD1 TRP A 38 4.197 -0.656 -3.374 1.00 0.00 C ATOM 543 CD2 TRP A 38 4.352 -2.655 -2.377 1.00 0.00 C ATOM 544 NE1 TRP A 38 5.480 -0.793 -2.903 1.00 0.00 N ATOM 545 CE2 TRP A 38 5.601 -2.010 -2.287 1.00 0.00 C ATOM 546 CE3 TRP A 38 4.210 -3.928 -1.817 1.00 0.00 C ATOM 547 CZ2 TRP A 38 6.698 -2.596 -1.662 1.00 0.00 C ATOM 548 CZ3 TRP A 38 5.300 -4.508 -1.197 1.00 0.00 C ATOM 549 CH2 TRP A 38 6.531 -3.843 -1.122 1.00 0.00 C ATOM 0 H TRP A 38 3.637 -3.874 -4.813 1.00 0.00 H new ATOM 0 HA TRP A 38 0.791 -3.074 -4.821 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.508 -1.070 -3.484 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.565 -2.581 -2.600 1.00 0.00 H new ATOM 0 HD1 TRP A 38 3.820 0.207 -3.903 1.00 0.00 H new ATOM 0 HE1 TRP A 38 6.223 -0.100 -2.997 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.265 -4.449 -1.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 7.648 -2.085 -1.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 5.201 -5.492 -0.762 1.00 0.00 H new ATOM 0 HH2 TRP A 38 7.364 -4.323 -0.629 1.00 0.00 H new ATOM 560 N LYS A 39 1.434 -0.870 -6.137 1.00 0.00 N ATOM 561 CA LYS A 39 1.689 0.051 -7.238 1.00 0.00 C ATOM 562 C LYS A 39 1.981 1.455 -6.717 1.00 0.00 C ATOM 563 O LYS A 39 1.865 1.719 -5.520 1.00 0.00 O ATOM 564 CB LYS A 39 0.490 0.087 -8.188 1.00 0.00 C ATOM 565 CG LYS A 39 0.238 -1.231 -8.899 1.00 0.00 C ATOM 566 CD LYS A 39 1.029 -1.328 -10.193 1.00 0.00 C ATOM 567 CE LYS A 39 0.365 -0.541 -11.312 1.00 0.00 C ATOM 568 NZ LYS A 39 1.149 -0.607 -12.577 1.00 0.00 N ATOM 0 H LYS A 39 0.613 -0.640 -5.577 1.00 0.00 H new ATOM 0 HA LYS A 39 2.564 -0.305 -7.781 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.401 0.362 -7.624 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.650 0.867 -8.932 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.510 -2.057 -8.242 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.826 -1.332 -9.114 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.039 -0.952 -10.032 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.121 -2.374 -10.487 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.638 -0.932 -11.485 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.254 0.500 -11.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.664 -0.058 -13.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.098 -0.211 -12.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.234 -1.598 -12.882 1.00 0.00 H new ATOM 582 N ALA A 40 2.357 2.351 -7.623 1.00 0.00 N ATOM 583 CA ALA A 40 2.662 3.728 -7.254 1.00 0.00 C ATOM 584 C ALA A 40 1.463 4.639 -7.498 1.00 0.00 C ATOM 585 O ALA A 40 0.822 4.593 -8.548 1.00 0.00 O ATOM 586 CB ALA A 40 3.873 4.226 -8.029 1.00 0.00 C ATOM 0 H ALA A 40 2.458 2.148 -8.618 1.00 0.00 H new ATOM 0 HA ALA A 40 2.892 3.751 -6.189 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.089 5.255 -7.744 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.734 3.598 -7.802 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.664 4.182 -9.098 1.00 0.00 H new ATOM 592 N PRO A 41 1.152 5.487 -6.507 1.00 0.00 N ATOM 593 CA PRO A 41 0.029 6.425 -6.591 1.00 0.00 C ATOM 594 C PRO A 41 0.279 7.541 -7.599 1.00 0.00 C ATOM 595 O PRO A 41 1.181 7.447 -8.432 1.00 0.00 O ATOM 596 CB PRO A 41 -0.064 6.995 -5.174 1.00 0.00 C ATOM 597 CG PRO A 41 1.309 6.848 -4.616 1.00 0.00 C ATOM 598 CD PRO A 41 1.873 5.596 -5.228 1.00 0.00 C ATOM 0 HA PRO A 41 -0.885 5.937 -6.930 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.376 8.039 -5.187 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.795 6.451 -4.576 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.925 7.714 -4.861 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.282 6.773 -3.529 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.950 5.672 -5.379 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.701 4.726 -4.594 1.00 0.00 H new ATOM 606 N SER A 42 -0.524 8.597 -7.518 1.00 0.00 N ATOM 607 CA SER A 42 -0.390 9.731 -8.426 1.00 0.00 C ATOM 608 C SER A 42 0.540 10.789 -7.840 1.00 0.00 C ATOM 609 O SER A 42 0.205 11.451 -6.858 1.00 0.00 O ATOM 610 CB SER A 42 -1.762 10.344 -8.714 1.00 0.00 C ATOM 611 OG SER A 42 -2.516 9.520 -9.586 1.00 0.00 O ATOM 0 H SER A 42 -1.274 8.691 -6.833 1.00 0.00 H new ATOM 0 HA SER A 42 0.042 9.370 -9.359 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.305 10.483 -7.779 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.637 11.331 -9.159 1.00 0.00 H new ATOM 0 HG SER A 42 -3.389 9.933 -9.753 1.00 0.00 H new ATOM 617 N ASP A 43 1.709 10.943 -8.452 1.00 0.00 N ATOM 618 CA ASP A 43 2.689 11.921 -7.993 1.00 0.00 C ATOM 619 C ASP A 43 2.180 13.343 -8.212 1.00 0.00 C ATOM 620 O ASP A 43 2.231 13.867 -9.323 1.00 0.00 O ATOM 621 CB ASP A 43 4.018 11.724 -8.724 1.00 0.00 C ATOM 622 CG ASP A 43 3.964 12.200 -10.162 1.00 0.00 C ATOM 623 OD1 ASP A 43 3.537 11.412 -11.032 1.00 0.00 O ATOM 624 OD2 ASP A 43 4.349 13.360 -10.418 1.00 0.00 O ATOM 0 H ASP A 43 2.001 10.403 -9.267 1.00 0.00 H new ATOM 0 HA ASP A 43 2.845 11.770 -6.925 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.804 12.264 -8.195 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.287 10.668 -8.704 1.00 0.00 H new ATOM 629 N ASN A 44 1.689 13.961 -7.142 1.00 0.00 N ATOM 630 CA ASN A 44 1.169 15.321 -7.217 1.00 0.00 C ATOM 631 C ASN A 44 2.040 16.281 -6.413 1.00 0.00 C ATOM 632 O ASN A 44 1.847 16.451 -5.210 1.00 0.00 O ATOM 633 CB ASN A 44 -0.271 15.368 -6.703 1.00 0.00 C ATOM 634 CG ASN A 44 -0.392 14.867 -5.277 1.00 0.00 C ATOM 635 OD1 ASN A 44 -0.456 15.654 -4.333 1.00 0.00 O ATOM 636 ND2 ASN A 44 -0.424 13.549 -5.114 1.00 0.00 N ATOM 0 H ASN A 44 1.641 13.541 -6.214 1.00 0.00 H new ATOM 0 HA ASN A 44 1.185 15.632 -8.261 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.640 16.392 -6.758 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.906 14.765 -7.352 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.504 13.153 -4.178 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.368 12.933 -5.925 1.00 0.00 H new ATOM 643 N GLY A 45 2.999 16.908 -7.088 1.00 0.00 N ATOM 644 CA GLY A 45 3.885 17.844 -6.420 1.00 0.00 C ATOM 645 C GLY A 45 5.346 17.465 -6.567 1.00 0.00 C ATOM 646 O GLY A 45 6.103 18.141 -7.263 1.00 0.00 O ATOM 0 H GLY A 45 3.178 16.785 -8.085 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.729 18.842 -6.829 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.629 17.889 -5.361 1.00 0.00 H new ATOM 650 N SER A 46 5.743 16.381 -5.909 1.00 0.00 N ATOM 651 CA SER A 46 7.124 15.916 -5.965 1.00 0.00 C ATOM 652 C SER A 46 7.182 14.395 -6.072 1.00 0.00 C ATOM 653 O SER A 46 6.512 13.682 -5.325 1.00 0.00 O ATOM 654 CB SER A 46 7.892 16.380 -4.725 1.00 0.00 C ATOM 655 OG SER A 46 8.421 17.681 -4.911 1.00 0.00 O ATOM 0 H SER A 46 5.128 15.808 -5.331 1.00 0.00 H new ATOM 0 HA SER A 46 7.589 16.344 -6.853 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.230 16.374 -3.859 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.701 15.682 -4.512 1.00 0.00 H new ATOM 0 HG SER A 46 8.906 17.955 -4.105 1.00 0.00 H new ATOM 661 N LYS A 47 7.987 13.904 -7.008 1.00 0.00 N ATOM 662 CA LYS A 47 8.135 12.469 -7.215 1.00 0.00 C ATOM 663 C LYS A 47 8.462 11.761 -5.904 1.00 0.00 C ATOM 664 O LYS A 47 9.473 12.054 -5.265 1.00 0.00 O ATOM 665 CB LYS A 47 9.234 12.191 -8.244 1.00 0.00 C ATOM 666 CG LYS A 47 10.575 12.804 -7.881 1.00 0.00 C ATOM 667 CD LYS A 47 11.627 12.506 -8.937 1.00 0.00 C ATOM 668 CE LYS A 47 11.612 13.546 -10.047 1.00 0.00 C ATOM 669 NZ LYS A 47 10.561 13.259 -11.061 1.00 0.00 N ATOM 0 H LYS A 47 8.548 14.480 -7.636 1.00 0.00 H new ATOM 0 HA LYS A 47 7.188 12.082 -7.591 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.354 11.113 -8.353 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.918 12.576 -9.214 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.465 13.883 -7.769 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.905 12.416 -6.917 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.613 12.481 -8.473 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.449 11.518 -9.361 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.442 14.533 -9.617 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.587 13.573 -10.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.902 13.538 -12.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.344 12.242 -11.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.701 13.797 -10.831 1.00 0.00 H new ATOM 683 N ILE A 48 7.602 10.828 -5.510 1.00 0.00 N ATOM 684 CA ILE A 48 7.801 10.077 -4.277 1.00 0.00 C ATOM 685 C ILE A 48 9.238 9.578 -4.163 1.00 0.00 C ATOM 686 O ILE A 48 9.778 8.995 -5.103 1.00 0.00 O ATOM 687 CB ILE A 48 6.843 8.875 -4.188 1.00 0.00 C ATOM 688 CG1 ILE A 48 5.397 9.356 -4.052 1.00 0.00 C ATOM 689 CG2 ILE A 48 7.222 7.980 -3.017 1.00 0.00 C ATOM 690 CD1 ILE A 48 4.378 8.357 -4.552 1.00 0.00 C ATOM 0 H ILE A 48 6.760 10.574 -6.027 1.00 0.00 H new ATOM 0 HA ILE A 48 7.590 10.760 -3.454 1.00 0.00 H new ATOM 0 HB ILE A 48 6.928 8.294 -5.106 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.193 9.577 -3.004 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.280 10.289 -4.603 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.535 7.135 -2.968 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.239 7.613 -3.154 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.163 8.550 -2.090 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.375 8.765 -4.424 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.555 8.154 -5.608 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.468 7.431 -3.984 1.00 0.00 H new ATOM 702 N GLN A 49 9.849 9.809 -3.006 1.00 0.00 N ATOM 703 CA GLN A 49 11.223 9.381 -2.770 1.00 0.00 C ATOM 704 C GLN A 49 11.322 7.860 -2.742 1.00 0.00 C ATOM 705 O GLN A 49 11.950 7.253 -3.608 1.00 0.00 O ATOM 706 CB GLN A 49 11.742 9.963 -1.454 1.00 0.00 C ATOM 707 CG GLN A 49 11.682 11.481 -1.394 1.00 0.00 C ATOM 708 CD GLN A 49 12.625 12.062 -0.359 1.00 0.00 C ATOM 709 OE1 GLN A 49 12.397 11.936 0.845 1.00 0.00 O ATOM 710 NE2 GLN A 49 13.692 12.702 -0.822 1.00 0.00 N ATOM 0 H GLN A 49 9.415 10.290 -2.218 1.00 0.00 H new ATOM 0 HA GLN A 49 11.838 9.751 -3.590 1.00 0.00 H new ATOM 0 HB2 GLN A 49 11.159 9.552 -0.630 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.773 9.642 -1.306 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.928 11.890 -2.374 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.662 11.792 -1.166 1.00 0.00 H new ATOM 0 HE21 GLN A 49 13.842 12.783 -1.828 1.00 0.00 H new ATOM 0 HE22 GLN A 49 14.362 13.113 -0.172 1.00 0.00 H new ATOM 719 N ASN A 50 10.698 7.250 -1.739 1.00 0.00 N ATOM 720 CA ASN A 50 10.717 5.799 -1.597 1.00 0.00 C ATOM 721 C ASN A 50 9.423 5.297 -0.963 1.00 0.00 C ATOM 722 O ASN A 50 8.598 6.087 -0.503 1.00 0.00 O ATOM 723 CB ASN A 50 11.915 5.364 -0.750 1.00 0.00 C ATOM 724 CG ASN A 50 12.253 6.369 0.333 1.00 0.00 C ATOM 725 OD1 ASN A 50 13.380 6.859 0.412 1.00 0.00 O ATOM 726 ND2 ASN A 50 11.275 6.683 1.175 1.00 0.00 N ATOM 0 H ASN A 50 10.173 7.738 -1.013 1.00 0.00 H new ATOM 0 HA ASN A 50 10.806 5.363 -2.592 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.701 4.398 -0.292 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.782 5.225 -1.396 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.443 7.355 1.924 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.356 6.253 1.073 1.00 0.00 H new ATOM 733 N PHE A 51 9.253 3.979 -0.941 1.00 0.00 N ATOM 734 CA PHE A 51 8.059 3.372 -0.364 1.00 0.00 C ATOM 735 C PHE A 51 8.337 2.861 1.046 1.00 0.00 C ATOM 736 O PHE A 51 9.420 2.347 1.331 1.00 0.00 O ATOM 737 CB PHE A 51 7.567 2.224 -1.247 1.00 0.00 C ATOM 738 CG PHE A 51 6.853 2.683 -2.486 1.00 0.00 C ATOM 739 CD1 PHE A 51 5.567 3.196 -2.410 1.00 0.00 C ATOM 740 CD2 PHE A 51 7.466 2.604 -3.726 1.00 0.00 C ATOM 741 CE1 PHE A 51 4.907 3.619 -3.548 1.00 0.00 C ATOM 742 CE2 PHE A 51 6.811 3.026 -4.867 1.00 0.00 C ATOM 743 CZ PHE A 51 5.530 3.535 -4.778 1.00 0.00 C ATOM 0 H PHE A 51 9.927 3.311 -1.316 1.00 0.00 H new ATOM 0 HA PHE A 51 7.284 4.136 -0.309 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.419 1.608 -1.536 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.897 1.590 -0.665 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.076 3.266 -1.451 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.468 2.208 -3.802 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.905 4.015 -3.476 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.300 2.958 -5.827 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.017 3.867 -5.668 1.00 0.00 H new ATOM 753 N VAL A 52 7.352 3.006 1.927 1.00 0.00 N ATOM 754 CA VAL A 52 7.490 2.559 3.308 1.00 0.00 C ATOM 755 C VAL A 52 6.405 1.550 3.669 1.00 0.00 C ATOM 756 O VAL A 52 5.214 1.860 3.625 1.00 0.00 O ATOM 757 CB VAL A 52 7.422 3.743 4.291 1.00 0.00 C ATOM 758 CG1 VAL A 52 7.641 3.266 5.718 1.00 0.00 C ATOM 759 CG2 VAL A 52 8.441 4.807 3.913 1.00 0.00 C ATOM 0 H VAL A 52 6.450 3.429 1.709 1.00 0.00 H new ATOM 0 HA VAL A 52 8.467 2.084 3.391 1.00 0.00 H new ATOM 0 HB VAL A 52 6.428 4.186 4.231 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.589 4.116 6.398 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.870 2.543 5.982 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.621 2.796 5.798 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.380 5.636 4.618 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.443 4.378 3.943 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.232 5.170 2.907 1.00 0.00 H new ATOM 769 N LEU A 53 6.825 0.341 4.027 1.00 0.00 N ATOM 770 CA LEU A 53 5.889 -0.715 4.398 1.00 0.00 C ATOM 771 C LEU A 53 5.956 -1.001 5.894 1.00 0.00 C ATOM 772 O LEU A 53 6.969 -0.739 6.541 1.00 0.00 O ATOM 773 CB LEU A 53 6.191 -1.990 3.609 1.00 0.00 C ATOM 774 CG LEU A 53 5.303 -3.196 3.917 1.00 0.00 C ATOM 775 CD1 LEU A 53 3.906 -2.988 3.353 1.00 0.00 C ATOM 776 CD2 LEU A 53 5.921 -4.470 3.360 1.00 0.00 C ATOM 0 H LEU A 53 7.807 0.068 4.068 1.00 0.00 H new ATOM 0 HA LEU A 53 4.882 -0.376 4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.107 -1.764 2.546 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.228 -2.271 3.794 1.00 0.00 H new ATOM 0 HG LEU A 53 5.224 -3.298 4.999 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.288 -3.856 3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.462 -2.099 3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.965 -2.860 2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.275 -5.318 3.589 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.031 -4.379 2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.900 -4.627 3.812 1.00 0.00 H new ATOM 788 N GLU A 54 4.870 -1.543 6.437 1.00 0.00 N ATOM 789 CA GLU A 54 4.807 -1.866 7.858 1.00 0.00 C ATOM 790 C GLU A 54 3.886 -3.058 8.104 1.00 0.00 C ATOM 791 O GLU A 54 2.934 -3.285 7.357 1.00 0.00 O ATOM 792 CB GLU A 54 4.318 -0.657 8.657 1.00 0.00 C ATOM 793 CG GLU A 54 5.366 0.431 8.817 1.00 0.00 C ATOM 794 CD GLU A 54 4.803 1.700 9.428 1.00 0.00 C ATOM 795 OE1 GLU A 54 3.767 2.188 8.929 1.00 0.00 O ATOM 796 OE2 GLU A 54 5.397 2.204 10.404 1.00 0.00 O ATOM 0 H GLU A 54 4.023 -1.767 5.915 1.00 0.00 H new ATOM 0 HA GLU A 54 5.811 -2.130 8.190 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.442 -0.236 8.163 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.998 -0.990 9.644 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.177 0.060 9.444 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.796 0.662 7.842 1.00 0.00 H new ATOM 803 N TRP A 55 4.178 -3.816 9.155 1.00 0.00 N ATOM 804 CA TRP A 55 3.377 -4.985 9.500 1.00 0.00 C ATOM 805 C TRP A 55 3.522 -5.327 10.978 1.00 0.00 C ATOM 806 O TRP A 55 4.506 -4.954 11.617 1.00 0.00 O ATOM 807 CB TRP A 55 3.792 -6.183 8.643 1.00 0.00 C ATOM 808 CG TRP A 55 5.083 -6.807 9.079 1.00 0.00 C ATOM 809 CD1 TRP A 55 6.175 -6.161 9.584 1.00 0.00 C ATOM 810 CD2 TRP A 55 5.416 -8.198 9.047 1.00 0.00 C ATOM 811 NE1 TRP A 55 7.168 -7.068 9.868 1.00 0.00 N ATOM 812 CE2 TRP A 55 6.727 -8.325 9.548 1.00 0.00 C ATOM 813 CE3 TRP A 55 4.735 -9.351 8.645 1.00 0.00 C ATOM 814 CZ2 TRP A 55 7.367 -9.557 9.656 1.00 0.00 C ATOM 815 CZ3 TRP A 55 5.372 -10.572 8.753 1.00 0.00 C ATOM 816 CH2 TRP A 55 6.676 -10.668 9.255 1.00 0.00 C ATOM 0 H TRP A 55 4.963 -3.642 9.783 1.00 0.00 H new ATOM 0 HA TRP A 55 2.331 -4.750 9.302 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.004 -6.935 8.677 1.00 0.00 H new ATOM 0 HB3 TRP A 55 3.884 -5.864 7.605 1.00 0.00 H new ATOM 0 HD1 TRP A 55 6.248 -5.094 9.738 1.00 0.00 H new ATOM 0 HE1 TRP A 55 8.085 -6.842 10.254 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.729 -9.288 8.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.373 -9.633 10.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 4.855 -11.469 8.445 1.00 0.00 H new ATOM 0 HH2 TRP A 55 7.145 -11.638 9.327 1.00 0.00 H new ATOM 827 N ASP A 56 2.537 -6.038 11.516 1.00 0.00 N ATOM 828 CA ASP A 56 2.556 -6.432 12.920 1.00 0.00 C ATOM 829 C ASP A 56 3.279 -7.763 13.102 1.00 0.00 C ATOM 830 O ASP A 56 3.058 -8.470 14.084 1.00 0.00 O ATOM 831 CB ASP A 56 1.130 -6.534 13.462 1.00 0.00 C ATOM 832 CG ASP A 56 0.168 -7.130 12.454 1.00 0.00 C ATOM 833 OD1 ASP A 56 0.593 -8.011 11.677 1.00 0.00 O ATOM 834 OD2 ASP A 56 -1.010 -6.716 12.441 1.00 0.00 O ATOM 0 H ASP A 56 1.715 -6.353 11.001 1.00 0.00 H new ATOM 0 HA ASP A 56 3.095 -5.667 13.479 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.131 -7.145 14.365 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.782 -5.542 13.749 1.00 0.00 H new ATOM 839 N GLU A 57 4.143 -8.096 12.147 1.00 0.00 N ATOM 840 CA GLU A 57 4.896 -9.344 12.202 1.00 0.00 C ATOM 841 C GLU A 57 3.969 -10.529 12.457 1.00 0.00 C ATOM 842 O GLU A 57 4.384 -11.548 13.008 1.00 0.00 O ATOM 843 CB GLU A 57 5.964 -9.273 13.296 1.00 0.00 C ATOM 844 CG GLU A 57 7.160 -8.413 12.924 1.00 0.00 C ATOM 845 CD GLU A 57 8.409 -8.783 13.701 1.00 0.00 C ATOM 846 OE1 GLU A 57 8.812 -9.964 13.650 1.00 0.00 O ATOM 847 OE2 GLU A 57 8.983 -7.891 14.360 1.00 0.00 O ATOM 0 H GLU A 57 4.338 -7.520 11.328 1.00 0.00 H new ATOM 0 HA GLU A 57 5.383 -9.487 11.237 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.513 -8.879 14.207 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.309 -10.282 13.521 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.357 -8.514 11.857 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.920 -7.365 13.106 1.00 0.00 H new ATOM 854 N GLY A 58 2.711 -10.386 12.053 1.00 0.00 N ATOM 855 CA GLY A 58 1.744 -11.451 12.246 1.00 0.00 C ATOM 856 C GLY A 58 1.621 -11.866 13.699 1.00 0.00 C ATOM 857 O GLY A 58 1.222 -12.991 14.000 1.00 0.00 O ATOM 0 H GLY A 58 2.344 -9.552 11.595 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.770 -11.124 11.881 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.035 -12.315 11.648 1.00 0.00 H new ATOM 861 N LYS A 59 1.967 -10.956 14.604 1.00 0.00 N ATOM 862 CA LYS A 59 1.895 -11.232 16.033 1.00 0.00 C ATOM 863 C LYS A 59 0.445 -11.295 16.503 1.00 0.00 C ATOM 864 O LYS A 59 -0.017 -12.329 16.984 1.00 0.00 O ATOM 865 CB LYS A 59 2.651 -10.159 16.820 1.00 0.00 C ATOM 866 CG LYS A 59 4.113 -10.494 17.056 1.00 0.00 C ATOM 867 CD LYS A 59 4.703 -9.657 18.179 1.00 0.00 C ATOM 868 CE LYS A 59 5.299 -8.360 17.653 1.00 0.00 C ATOM 869 NZ LYS A 59 4.293 -7.547 16.915 1.00 0.00 N ATOM 0 H LYS A 59 2.300 -10.020 14.372 1.00 0.00 H new ATOM 0 HA LYS A 59 2.360 -12.201 16.214 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.586 -9.213 16.283 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.161 -10.013 17.782 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.210 -11.552 17.300 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.678 -10.325 16.140 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.928 -9.432 18.912 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.473 -10.230 18.695 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.696 -7.779 18.485 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.137 -8.586 16.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.463 -6.537 17.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.375 -7.735 15.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.337 -7.800 17.238 1.00 0.00 H new ATOM 883 N GLY A 60 -0.268 -10.182 16.359 1.00 0.00 N ATOM 884 CA GLY A 60 -1.658 -10.133 16.771 1.00 0.00 C ATOM 885 C GLY A 60 -1.914 -9.070 17.820 1.00 0.00 C ATOM 886 O GLY A 60 -2.698 -9.277 18.746 1.00 0.00 O ATOM 0 H GLY A 60 0.093 -9.313 15.964 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.285 -9.939 15.901 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.952 -11.106 17.165 1.00 0.00 H new ATOM 890 N ASN A 61 -1.251 -7.927 17.677 1.00 0.00 N ATOM 891 CA ASN A 61 -1.409 -6.827 18.622 1.00 0.00 C ATOM 892 C ASN A 61 -1.810 -5.544 17.900 1.00 0.00 C ATOM 893 O ASN A 61 -2.535 -4.713 18.446 1.00 0.00 O ATOM 894 CB ASN A 61 -0.110 -6.604 19.399 1.00 0.00 C ATOM 895 CG ASN A 61 1.104 -6.550 18.492 1.00 0.00 C ATOM 896 OD1 ASN A 61 0.977 -6.497 17.268 1.00 0.00 O ATOM 897 ND2 ASN A 61 2.290 -6.563 19.089 1.00 0.00 N ATOM 0 H ASN A 61 -0.599 -7.738 16.916 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.202 -7.092 19.322 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.182 -5.673 19.962 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.018 -7.406 20.125 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.143 -6.528 18.530 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.348 -6.608 20.106 1.00 0.00 H new ATOM 904 N GLY A 62 -1.334 -5.390 16.669 1.00 0.00 N ATOM 905 CA GLY A 62 -1.654 -4.206 15.892 1.00 0.00 C ATOM 906 C GLY A 62 -0.453 -3.303 15.691 1.00 0.00 C ATOM 907 O GLY A 62 -0.428 -2.491 14.767 1.00 0.00 O ATOM 0 H GLY A 62 -0.732 -6.064 16.195 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.045 -4.508 14.920 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.444 -3.648 16.394 1.00 0.00 H new ATOM 911 N GLU A 63 0.544 -3.444 16.559 1.00 0.00 N ATOM 912 CA GLU A 63 1.752 -2.631 16.473 1.00 0.00 C ATOM 913 C GLU A 63 2.417 -2.789 15.108 1.00 0.00 C ATOM 914 O GLU A 63 3.007 -3.827 14.809 1.00 0.00 O ATOM 915 CB GLU A 63 2.734 -3.020 17.579 1.00 0.00 C ATOM 916 CG GLU A 63 2.412 -2.395 18.927 1.00 0.00 C ATOM 917 CD GLU A 63 2.981 -0.997 19.073 1.00 0.00 C ATOM 918 OE1 GLU A 63 3.019 -0.265 18.062 1.00 0.00 O ATOM 919 OE2 GLU A 63 3.388 -0.637 20.197 1.00 0.00 O ATOM 0 H GLU A 63 0.539 -4.113 17.329 1.00 0.00 H new ATOM 0 HA GLU A 63 1.467 -1.587 16.601 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.740 -4.105 17.683 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.740 -2.723 17.281 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.330 -2.358 19.057 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.807 -3.029 19.721 1.00 0.00 H new ATOM 926 N PHE A 64 2.316 -1.751 14.285 1.00 0.00 N ATOM 927 CA PHE A 64 2.906 -1.773 12.951 1.00 0.00 C ATOM 928 C PHE A 64 4.314 -1.185 12.969 1.00 0.00 C ATOM 929 O PHE A 64 4.530 -0.080 13.467 1.00 0.00 O ATOM 930 CB PHE A 64 2.028 -0.994 11.969 1.00 0.00 C ATOM 931 CG PHE A 64 0.776 -1.724 11.575 1.00 0.00 C ATOM 932 CD1 PHE A 64 0.795 -2.652 10.545 1.00 0.00 C ATOM 933 CD2 PHE A 64 -0.419 -1.483 12.233 1.00 0.00 C ATOM 934 CE1 PHE A 64 -0.356 -3.325 10.180 1.00 0.00 C ATOM 935 CE2 PHE A 64 -1.572 -2.154 11.872 1.00 0.00 C ATOM 936 CZ PHE A 64 -1.540 -3.076 10.844 1.00 0.00 C ATOM 0 H PHE A 64 1.831 -0.884 14.518 1.00 0.00 H new ATOM 0 HA PHE A 64 2.969 -2.812 12.626 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.756 -0.038 12.417 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.607 -0.773 11.073 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.719 -2.851 10.022 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.450 -0.763 13.037 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.329 -4.045 9.376 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.497 -1.958 12.393 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.440 -3.601 10.560 1.00 0.00 H new ATOM 946 N CYS A 65 5.267 -1.933 12.424 1.00 0.00 N ATOM 947 CA CYS A 65 6.655 -1.487 12.379 1.00 0.00 C ATOM 948 C CYS A 65 7.219 -1.609 10.967 1.00 0.00 C ATOM 949 O CYS A 65 6.844 -2.507 10.214 1.00 0.00 O ATOM 950 CB CYS A 65 7.507 -2.303 13.353 1.00 0.00 C ATOM 951 SG CYS A 65 7.148 -1.980 15.095 1.00 0.00 S ATOM 0 H CYS A 65 5.104 -2.850 12.008 1.00 0.00 H new ATOM 0 HA CYS A 65 6.683 -0.438 12.674 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.355 -3.363 13.152 1.00 0.00 H new ATOM 0 HB3 CYS A 65 8.559 -2.091 13.164 1.00 0.00 H new ATOM 0 HG CYS A 65 7.916 -2.718 15.840 1.00 0.00 H new ATOM 957 N GLN A 66 8.121 -0.697 10.615 1.00 0.00 N ATOM 958 CA GLN A 66 8.734 -0.702 9.292 1.00 0.00 C ATOM 959 C GLN A 66 9.378 -2.052 8.995 1.00 0.00 C ATOM 960 O GLN A 66 10.179 -2.556 9.783 1.00 0.00 O ATOM 961 CB GLN A 66 9.780 0.409 9.188 1.00 0.00 C ATOM 962 CG GLN A 66 10.349 0.580 7.789 1.00 0.00 C ATOM 963 CD GLN A 66 11.526 1.535 7.750 1.00 0.00 C ATOM 964 OE1 GLN A 66 12.683 1.114 7.780 1.00 0.00 O ATOM 965 NE2 GLN A 66 11.237 2.829 7.682 1.00 0.00 N ATOM 0 H GLN A 66 8.443 0.053 11.227 1.00 0.00 H new ATOM 0 HA GLN A 66 7.950 -0.524 8.555 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.331 1.350 9.506 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.595 0.195 9.879 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.662 -0.392 7.407 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.566 0.947 7.125 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.264 3.134 7.659 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.988 3.518 7.652 1.00 0.00 H new ATOM 974 N CYS A 67 9.022 -2.633 7.854 1.00 0.00 N ATOM 975 CA CYS A 67 9.565 -3.927 7.453 1.00 0.00 C ATOM 976 C CYS A 67 10.372 -3.802 6.165 1.00 0.00 C ATOM 977 O CYS A 67 11.429 -4.417 6.021 1.00 0.00 O ATOM 978 CB CYS A 67 8.435 -4.940 7.266 1.00 0.00 C ATOM 979 SG CYS A 67 8.942 -6.661 7.498 1.00 0.00 S ATOM 0 H CYS A 67 8.361 -2.229 7.191 1.00 0.00 H new ATOM 0 HA CYS A 67 10.229 -4.276 8.243 1.00 0.00 H new ATOM 0 HB2 CYS A 67 7.635 -4.710 7.970 1.00 0.00 H new ATOM 0 HB3 CYS A 67 8.021 -4.826 6.264 1.00 0.00 H new ATOM 0 HG CYS A 67 8.183 -7.220 8.393 1.00 0.00 H new ATOM 985 N TYR A 68 9.866 -3.004 5.231 1.00 0.00 N ATOM 986 CA TYR A 68 10.538 -2.802 3.953 1.00 0.00 C ATOM 987 C TYR A 68 10.459 -1.341 3.521 1.00 0.00 C ATOM 988 O TYR A 68 9.381 -0.748 3.493 1.00 0.00 O ATOM 989 CB TYR A 68 9.916 -3.697 2.879 1.00 0.00 C ATOM 990 CG TYR A 68 10.696 -3.721 1.585 1.00 0.00 C ATOM 991 CD1 TYR A 68 10.488 -2.757 0.607 1.00 0.00 C ATOM 992 CD2 TYR A 68 11.643 -4.709 1.340 1.00 0.00 C ATOM 993 CE1 TYR A 68 11.199 -2.776 -0.578 1.00 0.00 C ATOM 994 CE2 TYR A 68 12.359 -4.735 0.159 1.00 0.00 C ATOM 995 CZ TYR A 68 12.133 -3.767 -0.797 1.00 0.00 C ATOM 996 OH TYR A 68 12.844 -3.788 -1.975 1.00 0.00 O ATOM 0 H TYR A 68 8.993 -2.487 5.335 1.00 0.00 H new ATOM 0 HA TYR A 68 11.587 -3.069 4.077 1.00 0.00 H new ATOM 0 HB2 TYR A 68 9.838 -4.713 3.265 1.00 0.00 H new ATOM 0 HB3 TYR A 68 8.901 -3.355 2.676 1.00 0.00 H new ATOM 0 HD1 TYR A 68 9.758 -1.979 0.775 1.00 0.00 H new ATOM 0 HD2 TYR A 68 11.822 -5.469 2.086 1.00 0.00 H new ATOM 0 HE1 TYR A 68 11.024 -2.019 -1.328 1.00 0.00 H new ATOM 0 HE2 TYR A 68 13.092 -5.509 -0.015 1.00 0.00 H new ATOM 0 HH TYR A 68 13.461 -4.549 -1.971 1.00 0.00 H new ATOM 1006 N MET A 69 11.610 -0.768 3.185 1.00 0.00 N ATOM 1007 CA MET A 69 11.673 0.623 2.752 1.00 0.00 C ATOM 1008 C MET A 69 12.671 0.794 1.611 1.00 0.00 C ATOM 1009 O MET A 69 13.872 0.600 1.791 1.00 0.00 O ATOM 1010 CB MET A 69 12.061 1.527 3.924 1.00 0.00 C ATOM 1011 CG MET A 69 12.224 2.988 3.537 1.00 0.00 C ATOM 1012 SD MET A 69 12.441 4.065 4.966 1.00 0.00 S ATOM 1013 CE MET A 69 12.062 5.662 4.248 1.00 0.00 C ATOM 0 H MET A 69 12.511 -1.245 3.204 1.00 0.00 H new ATOM 0 HA MET A 69 10.685 0.910 2.392 1.00 0.00 H new ATOM 0 HB2 MET A 69 11.300 1.448 4.700 1.00 0.00 H new ATOM 0 HB3 MET A 69 12.995 1.168 4.356 1.00 0.00 H new ATOM 0 HG2 MET A 69 13.084 3.091 2.876 1.00 0.00 H new ATOM 0 HG3 MET A 69 11.348 3.310 2.974 1.00 0.00 H new ATOM 0 HE1 MET A 69 11.856 6.379 5.043 1.00 0.00 H new ATOM 0 HE2 MET A 69 12.912 6.007 3.659 1.00 0.00 H new ATOM 0 HE3 MET A 69 11.187 5.573 3.604 1.00 0.00 H new ATOM 1023 N GLY A 70 12.164 1.157 0.437 1.00 0.00 N ATOM 1024 CA GLY A 70 13.025 1.347 -0.716 1.00 0.00 C ATOM 1025 C GLY A 70 12.246 1.674 -1.974 1.00 0.00 C ATOM 1026 O GLY A 70 11.026 1.837 -1.932 1.00 0.00 O ATOM 0 H GLY A 70 11.173 1.323 0.264 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.731 2.152 -0.510 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.612 0.443 -0.880 1.00 0.00 H new ATOM 1030 N SER A 71 12.951 1.771 -3.097 1.00 0.00 N ATOM 1031 CA SER A 71 12.318 2.086 -4.372 1.00 0.00 C ATOM 1032 C SER A 71 11.422 0.940 -4.831 1.00 0.00 C ATOM 1033 O SER A 71 10.254 1.146 -5.160 1.00 0.00 O ATOM 1034 CB SER A 71 13.380 2.375 -5.435 1.00 0.00 C ATOM 1035 OG SER A 71 12.784 2.650 -6.690 1.00 0.00 O ATOM 0 H SER A 71 13.961 1.636 -3.149 1.00 0.00 H new ATOM 0 HA SER A 71 11.701 2.974 -4.234 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.988 3.224 -5.124 1.00 0.00 H new ATOM 0 HB3 SER A 71 14.049 1.520 -5.527 1.00 0.00 H new ATOM 0 HG SER A 71 13.484 2.833 -7.351 1.00 0.00 H new ATOM 1041 N GLN A 72 11.978 -0.267 -4.851 1.00 0.00 N ATOM 1042 CA GLN A 72 11.229 -1.446 -5.271 1.00 0.00 C ATOM 1043 C GLN A 72 9.804 -1.408 -4.728 1.00 0.00 C ATOM 1044 O GLN A 72 9.507 -0.674 -3.784 1.00 0.00 O ATOM 1045 CB GLN A 72 11.934 -2.718 -4.797 1.00 0.00 C ATOM 1046 CG GLN A 72 13.141 -3.095 -5.641 1.00 0.00 C ATOM 1047 CD GLN A 72 14.198 -3.838 -4.849 1.00 0.00 C ATOM 1048 OE1 GLN A 72 15.100 -3.229 -4.273 1.00 0.00 O ATOM 1049 NE2 GLN A 72 14.093 -5.161 -4.815 1.00 0.00 N ATOM 0 H GLN A 72 12.944 -0.454 -4.582 1.00 0.00 H new ATOM 0 HA GLN A 72 11.183 -1.448 -6.360 1.00 0.00 H new ATOM 0 HB2 GLN A 72 12.252 -2.584 -3.763 1.00 0.00 H new ATOM 0 HB3 GLN A 72 11.222 -3.543 -4.807 1.00 0.00 H new ATOM 0 HG2 GLN A 72 12.816 -3.715 -6.476 1.00 0.00 H new ATOM 0 HG3 GLN A 72 13.579 -2.192 -6.066 1.00 0.00 H new ATOM 0 HE21 GLN A 72 13.329 -5.625 -5.307 1.00 0.00 H new ATOM 0 HE22 GLN A 72 14.776 -5.714 -4.297 1.00 0.00 H new ATOM 1058 N LYS A 73 8.926 -2.202 -5.330 1.00 0.00 N ATOM 1059 CA LYS A 73 7.531 -2.261 -4.907 1.00 0.00 C ATOM 1060 C LYS A 73 7.114 -3.696 -4.605 1.00 0.00 C ATOM 1061 O LYS A 73 5.926 -3.995 -4.491 1.00 0.00 O ATOM 1062 CB LYS A 73 6.624 -1.672 -5.990 1.00 0.00 C ATOM 1063 CG LYS A 73 6.902 -0.209 -6.288 1.00 0.00 C ATOM 1064 CD LYS A 73 6.522 0.152 -7.714 1.00 0.00 C ATOM 1065 CE LYS A 73 5.023 0.372 -7.852 1.00 0.00 C ATOM 1066 NZ LYS A 73 4.603 0.441 -9.279 1.00 0.00 N ATOM 0 H LYS A 73 9.155 -2.814 -6.113 1.00 0.00 H new ATOM 0 HA LYS A 73 7.428 -1.673 -3.995 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.744 -2.250 -6.906 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.585 -1.780 -5.680 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.344 0.417 -5.592 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.960 0.001 -6.128 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.053 1.055 -8.016 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.838 -0.644 -8.389 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.490 -0.438 -7.355 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.743 1.296 -7.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.609 0.742 -9.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.201 1.126 -9.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.706 -0.497 -9.717 1.00 0.00 H new ATOM 1080 N GLN A 74 8.100 -4.579 -4.475 1.00 0.00 N ATOM 1081 CA GLN A 74 7.834 -5.983 -4.185 1.00 0.00 C ATOM 1082 C GLN A 74 8.702 -6.475 -3.032 1.00 0.00 C ATOM 1083 O GLN A 74 9.901 -6.199 -2.983 1.00 0.00 O ATOM 1084 CB GLN A 74 8.083 -6.839 -5.428 1.00 0.00 C ATOM 1085 CG GLN A 74 8.268 -8.316 -5.122 1.00 0.00 C ATOM 1086 CD GLN A 74 9.701 -8.665 -4.771 1.00 0.00 C ATOM 1087 OE1 GLN A 74 10.563 -7.789 -4.691 1.00 0.00 O ATOM 1088 NE2 GLN A 74 9.963 -9.949 -4.558 1.00 0.00 N ATOM 0 H GLN A 74 9.089 -4.347 -4.566 1.00 0.00 H new ATOM 0 HA GLN A 74 6.788 -6.075 -3.893 1.00 0.00 H new ATOM 0 HB2 GLN A 74 7.244 -6.721 -6.114 1.00 0.00 H new ATOM 0 HB3 GLN A 74 8.970 -6.469 -5.942 1.00 0.00 H new ATOM 0 HG2 GLN A 74 7.617 -8.596 -4.294 1.00 0.00 H new ATOM 0 HG3 GLN A 74 7.956 -8.904 -5.985 1.00 0.00 H new ATOM 0 HE21 GLN A 74 9.218 -10.641 -4.635 1.00 0.00 H new ATOM 0 HE22 GLN A 74 10.909 -10.243 -4.317 1.00 0.00 H new ATOM 1097 N PHE A 75 8.090 -7.204 -2.105 1.00 0.00 N ATOM 1098 CA PHE A 75 8.807 -7.734 -0.951 1.00 0.00 C ATOM 1099 C PHE A 75 8.246 -9.091 -0.538 1.00 0.00 C ATOM 1100 O PHE A 75 7.032 -9.296 -0.525 1.00 0.00 O ATOM 1101 CB PHE A 75 8.721 -6.755 0.222 1.00 0.00 C ATOM 1102 CG PHE A 75 9.374 -7.263 1.475 1.00 0.00 C ATOM 1103 CD1 PHE A 75 10.628 -7.850 1.430 1.00 0.00 C ATOM 1104 CD2 PHE A 75 8.734 -7.154 2.699 1.00 0.00 C ATOM 1105 CE1 PHE A 75 11.231 -8.319 2.582 1.00 0.00 C ATOM 1106 CE2 PHE A 75 9.331 -7.621 3.855 1.00 0.00 C ATOM 1107 CZ PHE A 75 10.582 -8.204 3.796 1.00 0.00 C ATOM 0 H PHE A 75 7.098 -7.441 -2.130 1.00 0.00 H new ATOM 0 HA PHE A 75 9.852 -7.864 -1.232 1.00 0.00 H new ATOM 0 HB2 PHE A 75 9.189 -5.813 -0.066 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.673 -6.540 0.429 1.00 0.00 H new ATOM 0 HD1 PHE A 75 11.140 -7.942 0.484 1.00 0.00 H new ATOM 0 HD2 PHE A 75 7.756 -6.698 2.751 1.00 0.00 H new ATOM 0 HE1 PHE A 75 12.209 -8.775 2.533 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.820 -7.530 4.802 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.052 -8.569 4.697 1.00 0.00 H new ATOM 1117 N LYS A 76 9.138 -10.016 -0.201 1.00 0.00 N ATOM 1118 CA LYS A 76 8.735 -11.354 0.213 1.00 0.00 C ATOM 1119 C LYS A 76 9.213 -11.652 1.631 1.00 0.00 C ATOM 1120 O LYS A 76 10.408 -11.833 1.868 1.00 0.00 O ATOM 1121 CB LYS A 76 9.293 -12.400 -0.754 1.00 0.00 C ATOM 1122 CG LYS A 76 9.181 -13.825 -0.241 1.00 0.00 C ATOM 1123 CD LYS A 76 9.303 -14.836 -1.369 1.00 0.00 C ATOM 1124 CE LYS A 76 9.922 -16.138 -0.885 1.00 0.00 C ATOM 1125 NZ LYS A 76 10.677 -16.829 -1.967 1.00 0.00 N ATOM 0 H LYS A 76 10.146 -9.863 -0.207 1.00 0.00 H new ATOM 0 HA LYS A 76 7.646 -11.399 0.198 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.764 -12.322 -1.704 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.341 -12.176 -0.953 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.960 -14.008 0.499 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.224 -13.956 0.264 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.317 -15.035 -1.789 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.913 -14.418 -2.170 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.591 -15.933 -0.049 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.138 -16.796 -0.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.084 -17.712 -1.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.034 -17.047 -2.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.442 -16.211 -2.306 1.00 0.00 H new ATOM 1139 N ILE A 77 8.274 -11.702 2.569 1.00 0.00 N ATOM 1140 CA ILE A 77 8.600 -11.980 3.962 1.00 0.00 C ATOM 1141 C ILE A 77 8.702 -13.481 4.214 1.00 0.00 C ATOM 1142 O ILE A 77 7.690 -14.174 4.322 1.00 0.00 O ATOM 1143 CB ILE A 77 7.550 -11.382 4.917 1.00 0.00 C ATOM 1144 CG1 ILE A 77 7.552 -9.855 4.819 1.00 0.00 C ATOM 1145 CG2 ILE A 77 7.819 -11.827 6.347 1.00 0.00 C ATOM 1146 CD1 ILE A 77 6.196 -9.232 5.068 1.00 0.00 C ATOM 0 H ILE A 77 7.281 -11.554 2.390 1.00 0.00 H new ATOM 0 HA ILE A 77 9.565 -11.514 4.158 1.00 0.00 H new ATOM 0 HB ILE A 77 6.565 -11.745 4.624 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.265 -9.454 5.539 1.00 0.00 H new ATOM 0 HG13 ILE A 77 7.901 -9.563 3.828 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.068 -11.396 7.009 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.772 -12.914 6.405 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.809 -11.490 6.653 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.272 -8.148 4.982 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.484 -9.605 4.332 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.854 -9.494 6.069 1.00 0.00 H new ATOM 1158 N THR A 78 9.932 -13.978 4.307 1.00 0.00 N ATOM 1159 CA THR A 78 10.167 -15.396 4.546 1.00 0.00 C ATOM 1160 C THR A 78 10.306 -15.686 6.036 1.00 0.00 C ATOM 1161 O THR A 78 10.224 -14.780 6.867 1.00 0.00 O ATOM 1162 CB THR A 78 11.434 -15.886 3.819 1.00 0.00 C ATOM 1163 OG1 THR A 78 12.540 -15.033 4.135 1.00 0.00 O ATOM 1164 CG2 THR A 78 11.219 -15.909 2.314 1.00 0.00 C ATOM 0 H THR A 78 10.781 -13.419 4.220 1.00 0.00 H new ATOM 0 HA THR A 78 9.302 -15.931 4.153 1.00 0.00 H new ATOM 0 HB THR A 78 11.650 -16.900 4.155 1.00 0.00 H new ATOM 0 HG1 THR A 78 13.342 -15.352 3.671 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.127 -16.258 1.822 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.395 -16.581 2.074 1.00 0.00 H new ATOM 0 HG23 THR A 78 10.981 -14.904 1.965 1.00 0.00 H new ATOM 1172 N LYS A 79 10.517 -16.955 6.370 1.00 0.00 N ATOM 1173 CA LYS A 79 10.670 -17.365 7.761 1.00 0.00 C ATOM 1174 C LYS A 79 9.381 -17.132 8.542 1.00 0.00 C ATOM 1175 O LYS A 79 9.397 -16.546 9.625 1.00 0.00 O ATOM 1176 CB LYS A 79 11.822 -16.600 8.416 1.00 0.00 C ATOM 1177 CG LYS A 79 13.126 -16.683 7.642 1.00 0.00 C ATOM 1178 CD LYS A 79 14.329 -16.602 8.566 1.00 0.00 C ATOM 1179 CE LYS A 79 15.605 -16.297 7.794 1.00 0.00 C ATOM 1180 NZ LYS A 79 15.844 -14.833 7.674 1.00 0.00 N ATOM 0 H LYS A 79 10.586 -17.717 5.696 1.00 0.00 H new ATOM 0 HA LYS A 79 10.895 -18.431 7.777 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.538 -15.553 8.521 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.981 -16.990 9.421 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.159 -17.617 7.082 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.170 -15.873 6.914 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.162 -15.828 9.316 1.00 0.00 H new ATOM 0 HD3 LYS A 79 14.443 -17.545 9.101 1.00 0.00 H new ATOM 0 HE2 LYS A 79 16.453 -16.763 8.295 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.541 -16.737 6.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.722 -14.667 7.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.047 -14.391 7.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.930 -14.416 8.623 1.00 0.00 H new ATOM 1194 N LEU A 80 8.266 -17.594 7.986 1.00 0.00 N ATOM 1195 CA LEU A 80 6.967 -17.437 8.632 1.00 0.00 C ATOM 1196 C LEU A 80 6.336 -18.794 8.924 1.00 0.00 C ATOM 1197 O LEU A 80 6.900 -19.836 8.589 1.00 0.00 O ATOM 1198 CB LEU A 80 6.034 -16.607 7.749 1.00 0.00 C ATOM 1199 CG LEU A 80 6.501 -15.186 7.427 1.00 0.00 C ATOM 1200 CD1 LEU A 80 5.443 -14.446 6.624 1.00 0.00 C ATOM 1201 CD2 LEU A 80 6.828 -14.430 8.707 1.00 0.00 C ATOM 0 H LEU A 80 8.235 -18.080 7.090 1.00 0.00 H new ATOM 0 HA LEU A 80 7.120 -16.918 9.578 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.885 -17.140 6.810 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.062 -16.546 8.239 1.00 0.00 H new ATOM 0 HG LEU A 80 7.407 -15.249 6.824 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.793 -13.437 6.404 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.257 -14.977 5.690 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.520 -14.392 7.201 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.159 -13.421 8.459 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.939 -14.377 9.335 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.621 -14.950 9.244 1.00 0.00 H new ATOM 1213 N SER A 81 5.162 -18.774 9.547 1.00 0.00 N ATOM 1214 CA SER A 81 4.455 -20.003 9.885 1.00 0.00 C ATOM 1215 C SER A 81 3.063 -20.018 9.260 1.00 0.00 C ATOM 1216 O SER A 81 2.449 -18.978 9.025 1.00 0.00 O ATOM 1217 CB SER A 81 4.346 -20.153 11.404 1.00 0.00 C ATOM 1218 OG SER A 81 5.628 -20.235 12.001 1.00 0.00 O ATOM 0 H SER A 81 4.681 -17.920 9.828 1.00 0.00 H new ATOM 0 HA SER A 81 5.024 -20.842 9.484 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.802 -19.304 11.818 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.772 -21.048 11.644 1.00 0.00 H new ATOM 0 HG SER A 81 5.531 -20.329 12.972 1.00 0.00 H new ATOM 1224 N PRO A 82 2.553 -21.228 8.984 1.00 0.00 N ATOM 1225 CA PRO A 82 1.228 -21.409 8.383 1.00 0.00 C ATOM 1226 C PRO A 82 0.101 -21.045 9.343 1.00 0.00 C ATOM 1227 O PRO A 82 0.192 -21.294 10.545 1.00 0.00 O ATOM 1228 CB PRO A 82 1.189 -22.904 8.056 1.00 0.00 C ATOM 1229 CG PRO A 82 2.144 -23.527 9.015 1.00 0.00 C ATOM 1230 CD PRO A 82 3.229 -22.511 9.238 1.00 0.00 C ATOM 0 HA PRO A 82 1.082 -20.764 7.516 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.185 -23.310 8.178 1.00 0.00 H new ATOM 0 HB3 PRO A 82 1.486 -23.091 7.024 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.647 -23.779 9.952 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.554 -24.453 8.612 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.625 -22.562 10.252 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.068 -22.664 8.560 1.00 0.00 H new ATOM 1238 N ALA A 83 -0.960 -20.453 8.805 1.00 0.00 N ATOM 1239 CA ALA A 83 -2.106 -20.056 9.614 1.00 0.00 C ATOM 1240 C ALA A 83 -1.749 -18.900 10.542 1.00 0.00 C ATOM 1241 O ALA A 83 -2.233 -18.826 11.671 1.00 0.00 O ATOM 1242 CB ALA A 83 -2.620 -21.241 10.418 1.00 0.00 C ATOM 0 H ALA A 83 -1.050 -20.238 7.812 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.894 -19.718 8.942 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.476 -20.930 11.017 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.923 -22.038 9.739 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.830 -21.605 11.075 1.00 0.00 H new ATOM 1248 N MET A 84 -0.898 -18.000 10.058 1.00 0.00 N ATOM 1249 CA MET A 84 -0.477 -16.847 10.845 1.00 0.00 C ATOM 1250 C MET A 84 -1.003 -15.552 10.236 1.00 0.00 C ATOM 1251 O MET A 84 -0.422 -15.016 9.293 1.00 0.00 O ATOM 1252 CB MET A 84 1.049 -16.797 10.940 1.00 0.00 C ATOM 1253 CG MET A 84 1.576 -15.532 11.598 1.00 0.00 C ATOM 1254 SD MET A 84 3.316 -15.232 11.232 1.00 0.00 S ATOM 1255 CE MET A 84 3.182 -14.166 9.799 1.00 0.00 C ATOM 0 H MET A 84 -0.487 -18.047 9.126 1.00 0.00 H new ATOM 0 HA MET A 84 -0.893 -16.951 11.847 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.398 -17.662 11.503 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.470 -16.878 9.938 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.986 -14.679 11.262 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.443 -15.606 12.677 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.987 -13.431 9.816 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.257 -14.765 8.892 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.221 -13.652 9.816 1.00 0.00 H new ATOM 1265 N GLY A 85 -2.109 -15.052 10.781 1.00 0.00 N ATOM 1266 CA GLY A 85 -2.695 -13.824 10.278 1.00 0.00 C ATOM 1267 C GLY A 85 -1.800 -12.621 10.501 1.00 0.00 C ATOM 1268 O GLY A 85 -1.458 -12.296 11.639 1.00 0.00 O ATOM 0 H GLY A 85 -2.609 -15.476 11.562 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.896 -13.931 9.212 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.654 -13.655 10.768 1.00 0.00 H new ATOM 1272 N CYS A 86 -1.419 -11.959 9.415 1.00 0.00 N ATOM 1273 CA CYS A 86 -0.557 -10.785 9.497 1.00 0.00 C ATOM 1274 C CYS A 86 -1.106 -9.646 8.645 1.00 0.00 C ATOM 1275 O CYS A 86 -1.478 -9.844 7.489 1.00 0.00 O ATOM 1276 CB CYS A 86 0.862 -11.137 9.047 1.00 0.00 C ATOM 1277 SG CYS A 86 0.931 -12.287 7.653 1.00 0.00 S ATOM 0 H CYS A 86 -1.693 -12.215 8.467 1.00 0.00 H new ATOM 0 HA CYS A 86 -0.530 -10.456 10.536 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.383 -10.219 8.773 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.402 -11.571 9.889 1.00 0.00 H new ATOM 0 HG CYS A 86 0.811 -11.627 6.540 1.00 0.00 H new ATOM 1283 N LYS A 87 -1.155 -8.451 9.225 1.00 0.00 N ATOM 1284 CA LYS A 87 -1.659 -7.278 8.521 1.00 0.00 C ATOM 1285 C LYS A 87 -0.511 -6.459 7.939 1.00 0.00 C ATOM 1286 O LYS A 87 0.628 -6.555 8.396 1.00 0.00 O ATOM 1287 CB LYS A 87 -2.492 -6.410 9.465 1.00 0.00 C ATOM 1288 CG LYS A 87 -3.913 -6.911 9.657 1.00 0.00 C ATOM 1289 CD LYS A 87 -4.781 -5.875 10.352 1.00 0.00 C ATOM 1290 CE LYS A 87 -6.104 -6.471 10.808 1.00 0.00 C ATOM 1291 NZ LYS A 87 -7.074 -5.419 11.218 1.00 0.00 N ATOM 0 H LYS A 87 -0.851 -8.270 10.182 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.290 -7.620 7.701 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.997 -6.365 10.435 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.524 -5.392 9.076 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.346 -7.159 8.688 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.900 -7.829 10.245 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.248 -5.470 11.212 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.970 -5.043 9.674 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.532 -7.065 10.001 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.928 -7.149 11.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.963 -5.866 11.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.676 -4.868 12.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.262 -4.787 10.413 1.00 0.00 H new ATOM 1305 N PHE A 88 -0.820 -5.651 6.929 1.00 0.00 N ATOM 1306 CA PHE A 88 0.186 -4.814 6.286 1.00 0.00 C ATOM 1307 C PHE A 88 -0.408 -3.471 5.872 1.00 0.00 C ATOM 1308 O PHE A 88 -1.627 -3.296 5.862 1.00 0.00 O ATOM 1309 CB PHE A 88 0.766 -5.526 5.062 1.00 0.00 C ATOM 1310 CG PHE A 88 1.193 -6.940 5.338 1.00 0.00 C ATOM 1311 CD1 PHE A 88 0.254 -7.952 5.448 1.00 0.00 C ATOM 1312 CD2 PHE A 88 2.534 -7.255 5.488 1.00 0.00 C ATOM 1313 CE1 PHE A 88 0.643 -9.254 5.702 1.00 0.00 C ATOM 1314 CE2 PHE A 88 2.929 -8.555 5.741 1.00 0.00 C ATOM 1315 CZ PHE A 88 1.983 -9.556 5.850 1.00 0.00 C ATOM 0 H PHE A 88 -1.758 -5.559 6.539 1.00 0.00 H new ATOM 0 HA PHE A 88 0.985 -4.632 7.005 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.021 -5.528 4.266 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.623 -4.961 4.695 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.795 -7.721 5.334 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.278 -6.477 5.406 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.099 -10.034 5.785 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.977 -8.788 5.854 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.290 -10.572 6.050 1.00 0.00 H new ATOM 1325 N ARG A 89 0.461 -2.525 5.531 1.00 0.00 N ATOM 1326 CA ARG A 89 0.024 -1.197 5.118 1.00 0.00 C ATOM 1327 C ARG A 89 1.084 -0.519 4.256 1.00 0.00 C ATOM 1328 O ARG A 89 2.274 -0.555 4.573 1.00 0.00 O ATOM 1329 CB ARG A 89 -0.281 -0.333 6.344 1.00 0.00 C ATOM 1330 CG ARG A 89 0.900 -0.176 7.287 1.00 0.00 C ATOM 1331 CD ARG A 89 0.663 0.936 8.296 1.00 0.00 C ATOM 1332 NE ARG A 89 -0.405 0.604 9.236 1.00 0.00 N ATOM 1333 CZ ARG A 89 -0.679 1.322 10.320 1.00 0.00 C ATOM 1334 NH1 ARG A 89 0.032 2.405 10.599 1.00 0.00 N ATOM 1335 NH2 ARG A 89 -1.666 0.955 11.127 1.00 0.00 N ATOM 0 H ARG A 89 1.473 -2.654 5.533 1.00 0.00 H new ATOM 0 HA ARG A 89 -0.884 -1.309 4.525 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.603 0.654 6.012 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.115 -0.774 6.890 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.074 -1.115 7.813 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.800 0.039 6.712 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.584 1.128 8.847 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.409 1.856 7.769 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.971 -0.224 9.050 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.792 2.689 9.981 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.181 2.954 11.432 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.215 0.122 10.915 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -1.876 1.506 11.959 1.00 0.00 H new ATOM 1349 N LEU A 90 0.645 0.097 3.164 1.00 0.00 N ATOM 1350 CA LEU A 90 1.556 0.784 2.254 1.00 0.00 C ATOM 1351 C LEU A 90 1.360 2.295 2.325 1.00 0.00 C ATOM 1352 O LEU A 90 0.243 2.778 2.511 1.00 0.00 O ATOM 1353 CB LEU A 90 1.340 0.296 0.821 1.00 0.00 C ATOM 1354 CG LEU A 90 2.322 0.828 -0.224 1.00 0.00 C ATOM 1355 CD1 LEU A 90 3.655 0.105 -0.120 1.00 0.00 C ATOM 1356 CD2 LEU A 90 1.742 0.682 -1.624 1.00 0.00 C ATOM 0 H LEU A 90 -0.336 0.135 2.887 1.00 0.00 H new ATOM 0 HA LEU A 90 2.577 0.555 2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.391 -0.793 0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.330 0.569 0.514 1.00 0.00 H new ATOM 0 HG LEU A 90 2.490 1.887 -0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.341 0.497 -0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.077 0.261 0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.504 -0.962 -0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.454 1.066 -2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.544 -0.370 -1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.812 1.246 -1.693 1.00 0.00 H new ATOM 1368 N SER A 91 2.453 3.036 2.173 1.00 0.00 N ATOM 1369 CA SER A 91 2.402 4.492 2.221 1.00 0.00 C ATOM 1370 C SER A 91 3.544 5.103 1.414 1.00 0.00 C ATOM 1371 O SER A 91 4.676 4.622 1.458 1.00 0.00 O ATOM 1372 CB SER A 91 2.469 4.978 3.670 1.00 0.00 C ATOM 1373 OG SER A 91 3.725 4.675 4.252 1.00 0.00 O ATOM 0 H SER A 91 3.385 2.652 2.016 1.00 0.00 H new ATOM 0 HA SER A 91 1.458 4.813 1.781 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.299 6.054 3.704 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.673 4.511 4.251 1.00 0.00 H new ATOM 0 HG SER A 91 3.636 4.651 5.228 1.00 0.00 H new ATOM 1379 N ALA A 92 3.237 6.166 0.678 1.00 0.00 N ATOM 1380 CA ALA A 92 4.237 6.844 -0.138 1.00 0.00 C ATOM 1381 C ALA A 92 4.701 8.136 0.525 1.00 0.00 C ATOM 1382 O ALA A 92 3.897 8.883 1.083 1.00 0.00 O ATOM 1383 CB ALA A 92 3.681 7.130 -1.525 1.00 0.00 C ATOM 0 H ALA A 92 2.304 6.576 0.630 1.00 0.00 H new ATOM 0 HA ALA A 92 5.100 6.185 -0.234 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.438 7.636 -2.123 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.405 6.192 -2.007 1.00 0.00 H new ATOM 0 HB3 ALA A 92 2.800 7.767 -1.440 1.00 0.00 H new ATOM 1389 N ARG A 93 6.003 8.394 0.461 1.00 0.00 N ATOM 1390 CA ARG A 93 6.574 9.596 1.057 1.00 0.00 C ATOM 1391 C ARG A 93 7.430 10.351 0.044 1.00 0.00 C ATOM 1392 O ARG A 93 8.281 9.766 -0.623 1.00 0.00 O ATOM 1393 CB ARG A 93 7.416 9.233 2.282 1.00 0.00 C ATOM 1394 CG ARG A 93 8.229 10.395 2.828 1.00 0.00 C ATOM 1395 CD ARG A 93 9.341 9.914 3.747 1.00 0.00 C ATOM 1396 NE ARG A 93 10.256 10.992 4.111 1.00 0.00 N ATOM 1397 CZ ARG A 93 11.483 10.789 4.577 1.00 0.00 C ATOM 1398 NH1 ARG A 93 11.940 9.555 4.735 1.00 0.00 N ATOM 1399 NH2 ARG A 93 12.256 11.823 4.886 1.00 0.00 N ATOM 0 H ARG A 93 6.682 7.787 0.002 1.00 0.00 H new ATOM 0 HA ARG A 93 5.753 10.243 1.367 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.758 8.860 3.067 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.092 8.419 2.020 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.658 10.961 2.001 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.574 11.075 3.373 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.905 9.488 4.651 1.00 0.00 H new ATOM 0 HD3 ARG A 93 9.898 9.117 3.255 1.00 0.00 H new ATOM 0 HE ARG A 93 9.935 11.954 4.001 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.349 8.758 4.498 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.883 9.402 5.093 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.908 12.774 4.766 1.00 0.00 H new ATOM 0 HH22 ARG A 93 13.198 11.666 5.244 1.00 0.00 H new ATOM 1413 N ASN A 94 7.197 11.655 -0.064 1.00 0.00 N ATOM 1414 CA ASN A 94 7.945 12.491 -0.996 1.00 0.00 C ATOM 1415 C ASN A 94 8.733 13.565 -0.252 1.00 0.00 C ATOM 1416 O ASN A 94 8.718 13.620 0.977 1.00 0.00 O ATOM 1417 CB ASN A 94 6.996 13.144 -2.003 1.00 0.00 C ATOM 1418 CG ASN A 94 6.032 14.112 -1.345 1.00 0.00 C ATOM 1419 OD1 ASN A 94 6.147 14.408 -0.156 1.00 0.00 O ATOM 1420 ND2 ASN A 94 5.075 14.611 -2.119 1.00 0.00 N ATOM 0 H ASN A 94 6.496 12.156 0.482 1.00 0.00 H new ATOM 0 HA ASN A 94 8.649 11.854 -1.531 1.00 0.00 H new ATOM 0 HB2 ASN A 94 7.579 13.672 -2.758 1.00 0.00 H new ATOM 0 HB3 ASN A 94 6.431 12.369 -2.521 1.00 0.00 H new ATOM 0 HD21 ASN A 94 4.397 15.268 -1.733 1.00 0.00 H new ATOM 0 HD22 ASN A 94 5.018 14.337 -3.100 1.00 0.00 H new ATOM 1427 N ASP A 95 9.419 14.416 -1.006 1.00 0.00 N ATOM 1428 CA ASP A 95 10.212 15.490 -0.419 1.00 0.00 C ATOM 1429 C ASP A 95 9.498 16.096 0.785 1.00 0.00 C ATOM 1430 O ASP A 95 10.115 16.356 1.819 1.00 0.00 O ATOM 1431 CB ASP A 95 10.491 16.575 -1.461 1.00 0.00 C ATOM 1432 CG ASP A 95 11.718 16.272 -2.298 1.00 0.00 C ATOM 1433 OD1 ASP A 95 11.709 15.250 -3.017 1.00 0.00 O ATOM 1434 OD2 ASP A 95 12.687 17.056 -2.234 1.00 0.00 O ATOM 0 H ASP A 95 9.442 14.383 -2.025 1.00 0.00 H new ATOM 0 HA ASP A 95 11.159 15.068 -0.083 1.00 0.00 H new ATOM 0 HB2 ASP A 95 9.625 16.678 -2.115 1.00 0.00 H new ATOM 0 HB3 ASP A 95 10.626 17.532 -0.957 1.00 0.00 H new ATOM 1439 N TYR A 96 8.196 16.319 0.645 1.00 0.00 N ATOM 1440 CA TYR A 96 7.399 16.898 1.720 1.00 0.00 C ATOM 1441 C TYR A 96 7.375 15.977 2.936 1.00 0.00 C ATOM 1442 O TYR A 96 7.972 16.279 3.969 1.00 0.00 O ATOM 1443 CB TYR A 96 5.972 17.163 1.239 1.00 0.00 C ATOM 1444 CG TYR A 96 5.899 18.063 0.026 1.00 0.00 C ATOM 1445 CD1 TYR A 96 6.012 17.544 -1.257 1.00 0.00 C ATOM 1446 CD2 TYR A 96 5.715 19.434 0.165 1.00 0.00 C ATOM 1447 CE1 TYR A 96 5.946 18.363 -2.368 1.00 0.00 C ATOM 1448 CE2 TYR A 96 5.647 20.260 -0.940 1.00 0.00 C ATOM 1449 CZ TYR A 96 5.764 19.720 -2.204 1.00 0.00 C ATOM 1450 OH TYR A 96 5.697 20.539 -3.308 1.00 0.00 O ATOM 0 H TYR A 96 7.670 16.107 -0.203 1.00 0.00 H new ATOM 0 HA TYR A 96 7.858 17.843 2.011 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.494 16.212 1.004 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.402 17.615 2.051 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.154 16.482 -1.389 1.00 0.00 H new ATOM 0 HD2 TYR A 96 5.624 19.860 1.153 1.00 0.00 H new ATOM 0 HE1 TYR A 96 6.036 17.943 -3.359 1.00 0.00 H new ATOM 0 HE2 TYR A 96 5.503 21.323 -0.815 1.00 0.00 H new ATOM 0 HH TYR A 96 5.565 21.466 -3.020 1.00 0.00 H new ATOM 1460 N GLY A 97 6.681 14.851 2.805 1.00 0.00 N ATOM 1461 CA GLY A 97 6.592 13.902 3.899 1.00 0.00 C ATOM 1462 C GLY A 97 5.826 12.651 3.520 1.00 0.00 C ATOM 1463 O GLY A 97 5.410 12.491 2.372 1.00 0.00 O ATOM 0 H GLY A 97 6.178 14.579 1.960 1.00 0.00 H new ATOM 0 HA2 GLY A 97 7.597 13.626 4.219 1.00 0.00 H new ATOM 0 HA3 GLY A 97 6.106 14.378 4.750 1.00 0.00 H new ATOM 1467 N THR A 98 5.638 11.758 4.487 1.00 0.00 N ATOM 1468 CA THR A 98 4.920 10.512 4.249 1.00 0.00 C ATOM 1469 C THR A 98 3.412 10.740 4.242 1.00 0.00 C ATOM 1470 O THR A 98 2.858 11.317 5.178 1.00 0.00 O ATOM 1471 CB THR A 98 5.263 9.453 5.314 1.00 0.00 C ATOM 1472 OG1 THR A 98 6.683 9.326 5.438 1.00 0.00 O ATOM 1473 CG2 THR A 98 4.658 8.106 4.951 1.00 0.00 C ATOM 0 H THR A 98 5.973 11.875 5.443 1.00 0.00 H new ATOM 0 HA THR A 98 5.235 10.147 3.271 1.00 0.00 H new ATOM 0 HB THR A 98 4.843 9.777 6.266 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.893 8.652 6.118 1.00 0.00 H new ATOM 0 HG21 THR A 98 4.913 7.374 5.717 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.574 8.200 4.886 1.00 0.00 H new ATOM 0 HG23 THR A 98 5.052 7.777 3.989 1.00 0.00 H new ATOM 1481 N SER A 99 2.754 10.283 3.182 1.00 0.00 N ATOM 1482 CA SER A 99 1.310 10.439 3.052 1.00 0.00 C ATOM 1483 C SER A 99 0.574 9.353 3.830 1.00 0.00 C ATOM 1484 O SER A 99 1.116 8.278 4.082 1.00 0.00 O ATOM 1485 CB SER A 99 0.901 10.393 1.579 1.00 0.00 C ATOM 1486 OG SER A 99 1.390 9.221 0.950 1.00 0.00 O ATOM 0 H SER A 99 3.198 9.801 2.400 1.00 0.00 H new ATOM 0 HA SER A 99 1.036 11.409 3.468 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.186 10.426 1.499 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.286 11.273 1.064 1.00 0.00 H new ATOM 0 HG SER A 99 2.361 9.290 0.839 1.00 0.00 H new ATOM 1492 N GLY A 100 -0.668 9.643 4.208 1.00 0.00 N ATOM 1493 CA GLY A 100 -1.459 8.682 4.954 1.00 0.00 C ATOM 1494 C GLY A 100 -1.223 7.257 4.496 1.00 0.00 C ATOM 1495 O GLY A 100 -0.825 7.021 3.355 1.00 0.00 O ATOM 0 H GLY A 100 -1.140 10.526 4.011 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.220 8.764 6.014 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.516 8.925 4.846 1.00 0.00 H new ATOM 1499 N PHE A 101 -1.467 6.303 5.389 1.00 0.00 N ATOM 1500 CA PHE A 101 -1.275 4.892 5.071 1.00 0.00 C ATOM 1501 C PHE A 101 -2.543 4.293 4.470 1.00 0.00 C ATOM 1502 O PHE A 101 -3.655 4.693 4.814 1.00 0.00 O ATOM 1503 CB PHE A 101 -0.876 4.114 6.327 1.00 0.00 C ATOM 1504 CG PHE A 101 0.494 4.460 6.836 1.00 0.00 C ATOM 1505 CD1 PHE A 101 0.697 5.600 7.597 1.00 0.00 C ATOM 1506 CD2 PHE A 101 1.578 3.645 6.554 1.00 0.00 C ATOM 1507 CE1 PHE A 101 1.957 5.921 8.068 1.00 0.00 C ATOM 1508 CE2 PHE A 101 2.840 3.961 7.022 1.00 0.00 C ATOM 1509 CZ PHE A 101 3.029 5.101 7.779 1.00 0.00 C ATOM 0 H PHE A 101 -1.798 6.481 6.337 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.474 4.817 4.335 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -1.606 4.308 7.112 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.916 3.046 6.111 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -0.138 6.245 7.825 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.436 2.753 5.962 1.00 0.00 H new ATOM 0 HE1 PHE A 101 2.102 6.812 8.661 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.677 3.317 6.796 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.014 5.350 8.144 1.00 0.00 H new ATOM 1519 N SER A 102 -2.367 3.333 3.568 1.00 0.00 N ATOM 1520 CA SER A 102 -3.496 2.681 2.915 1.00 0.00 C ATOM 1521 C SER A 102 -4.375 1.966 3.936 1.00 0.00 C ATOM 1522 O SER A 102 -4.121 2.023 5.138 1.00 0.00 O ATOM 1523 CB SER A 102 -2.999 1.684 1.866 1.00 0.00 C ATOM 1524 OG SER A 102 -2.453 0.529 2.478 1.00 0.00 O ATOM 0 H SER A 102 -1.453 2.989 3.273 1.00 0.00 H new ATOM 0 HA SER A 102 -4.092 3.449 2.422 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.823 1.398 1.213 1.00 0.00 H new ATOM 0 HB3 SER A 102 -2.244 2.158 1.238 1.00 0.00 H new ATOM 0 HG SER A 102 -2.847 -0.272 2.075 1.00 0.00 H new ATOM 1530 N GLU A 103 -5.412 1.292 3.446 1.00 0.00 N ATOM 1531 CA GLU A 103 -6.330 0.566 4.316 1.00 0.00 C ATOM 1532 C GLU A 103 -5.701 -0.735 4.806 1.00 0.00 C ATOM 1533 O GLU A 103 -5.252 -1.558 4.009 1.00 0.00 O ATOM 1534 CB GLU A 103 -7.637 0.268 3.578 1.00 0.00 C ATOM 1535 CG GLU A 103 -8.448 1.510 3.250 1.00 0.00 C ATOM 1536 CD GLU A 103 -9.775 1.183 2.591 1.00 0.00 C ATOM 1537 OE1 GLU A 103 -9.760 0.617 1.478 1.00 0.00 O ATOM 1538 OE2 GLU A 103 -10.826 1.494 3.188 1.00 0.00 O ATOM 0 H GLU A 103 -5.637 1.234 2.453 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.544 1.193 5.181 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -7.409 -0.262 2.653 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -8.244 -0.401 4.188 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -8.630 2.073 4.166 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -7.868 2.155 2.590 1.00 0.00 H new ATOM 1545 N GLU A 104 -5.673 -0.912 6.123 1.00 0.00 N ATOM 1546 CA GLU A 104 -5.098 -2.112 6.720 1.00 0.00 C ATOM 1547 C GLU A 104 -5.632 -3.368 6.037 1.00 0.00 C ATOM 1548 O GLU A 104 -6.842 -3.583 5.967 1.00 0.00 O ATOM 1549 CB GLU A 104 -5.407 -2.162 8.218 1.00 0.00 C ATOM 1550 CG GLU A 104 -4.905 -0.949 8.983 1.00 0.00 C ATOM 1551 CD GLU A 104 -5.623 -0.754 10.304 1.00 0.00 C ATOM 1552 OE1 GLU A 104 -6.871 -0.803 10.315 1.00 0.00 O ATOM 1553 OE2 GLU A 104 -4.937 -0.554 11.328 1.00 0.00 O ATOM 0 H GLU A 104 -6.041 -0.240 6.797 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.018 -2.074 6.581 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.485 -2.247 8.356 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.959 -3.060 8.643 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.836 -1.057 9.167 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.034 -0.058 8.369 1.00 0.00 H new ATOM 1560 N VAL A 105 -4.720 -4.195 5.536 1.00 0.00 N ATOM 1561 CA VAL A 105 -5.097 -5.430 4.859 1.00 0.00 C ATOM 1562 C VAL A 105 -4.663 -6.651 5.662 1.00 0.00 C ATOM 1563 O VAL A 105 -3.528 -6.727 6.134 1.00 0.00 O ATOM 1564 CB VAL A 105 -4.480 -5.510 3.451 1.00 0.00 C ATOM 1565 CG1 VAL A 105 -5.202 -4.571 2.496 1.00 0.00 C ATOM 1566 CG2 VAL A 105 -2.993 -5.190 3.502 1.00 0.00 C ATOM 0 H VAL A 105 -3.714 -4.032 5.586 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.183 -5.423 4.771 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.598 -6.528 3.080 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.751 -4.642 1.506 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -6.254 -4.850 2.437 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.119 -3.547 2.860 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.573 -5.251 2.498 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.851 -4.183 3.894 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.489 -5.906 4.151 1.00 0.00 H new ATOM 1576 N LEU A 106 -5.574 -7.606 5.814 1.00 0.00 N ATOM 1577 CA LEU A 106 -5.286 -8.826 6.561 1.00 0.00 C ATOM 1578 C LEU A 106 -4.984 -9.984 5.615 1.00 0.00 C ATOM 1579 O LEU A 106 -5.705 -10.209 4.643 1.00 0.00 O ATOM 1580 CB LEU A 106 -6.467 -9.185 7.464 1.00 0.00 C ATOM 1581 CG LEU A 106 -6.345 -10.499 8.238 1.00 0.00 C ATOM 1582 CD1 LEU A 106 -5.233 -10.408 9.272 1.00 0.00 C ATOM 1583 CD2 LEU A 106 -7.667 -10.851 8.904 1.00 0.00 C ATOM 0 H LEU A 106 -6.518 -7.559 5.430 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.406 -8.646 7.179 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -6.610 -8.376 8.181 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.367 -9.230 6.851 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.094 -11.292 7.533 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.161 -11.352 9.813 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -4.287 -10.203 8.771 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.454 -9.604 9.974 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.561 -11.789 9.450 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.948 -10.058 9.597 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.440 -10.959 8.143 1.00 0.00 H new ATOM 1595 N TYR A 107 -3.916 -10.717 5.908 1.00 0.00 N ATOM 1596 CA TYR A 107 -3.518 -11.852 5.084 1.00 0.00 C ATOM 1597 C TYR A 107 -3.180 -13.062 5.950 1.00 0.00 C ATOM 1598 O TYR A 107 -2.643 -12.923 7.049 1.00 0.00 O ATOM 1599 CB TYR A 107 -2.315 -11.482 4.215 1.00 0.00 C ATOM 1600 CG TYR A 107 -2.682 -10.701 2.974 1.00 0.00 C ATOM 1601 CD1 TYR A 107 -3.337 -11.313 1.913 1.00 0.00 C ATOM 1602 CD2 TYR A 107 -2.373 -9.351 2.861 1.00 0.00 C ATOM 1603 CE1 TYR A 107 -3.675 -10.604 0.776 1.00 0.00 C ATOM 1604 CE2 TYR A 107 -2.708 -8.634 1.729 1.00 0.00 C ATOM 1605 CZ TYR A 107 -3.358 -9.265 0.689 1.00 0.00 C ATOM 1606 OH TYR A 107 -3.692 -8.554 -0.441 1.00 0.00 O ATOM 0 H TYR A 107 -3.310 -10.545 6.710 1.00 0.00 H new ATOM 0 HA TYR A 107 -4.358 -12.112 4.439 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -1.615 -10.895 4.810 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -1.796 -12.394 3.920 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -3.587 -12.362 1.978 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -1.862 -8.854 3.672 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -4.184 -11.096 -0.040 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.462 -7.585 1.659 1.00 0.00 H new ATOM 0 HH TYR A 107 -3.531 -7.600 -0.287 1.00 0.00 H new ATOM 1616 N TYR A 108 -3.499 -14.249 5.446 1.00 0.00 N ATOM 1617 CA TYR A 108 -3.232 -15.485 6.173 1.00 0.00 C ATOM 1618 C TYR A 108 -2.356 -16.423 5.349 1.00 0.00 C ATOM 1619 O TYR A 108 -2.799 -16.990 4.350 1.00 0.00 O ATOM 1620 CB TYR A 108 -4.545 -16.182 6.534 1.00 0.00 C ATOM 1621 CG TYR A 108 -5.090 -15.782 7.887 1.00 0.00 C ATOM 1622 CD1 TYR A 108 -5.823 -14.611 8.043 1.00 0.00 C ATOM 1623 CD2 TYR A 108 -4.873 -16.573 9.007 1.00 0.00 C ATOM 1624 CE1 TYR A 108 -6.322 -14.241 9.277 1.00 0.00 C ATOM 1625 CE2 TYR A 108 -5.371 -16.212 10.244 1.00 0.00 C ATOM 1626 CZ TYR A 108 -6.094 -15.045 10.374 1.00 0.00 C ATOM 1627 OH TYR A 108 -6.590 -14.681 11.605 1.00 0.00 O ATOM 0 H TYR A 108 -3.943 -14.382 4.537 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.699 -15.230 7.089 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.289 -15.955 5.770 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.390 -17.261 6.518 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -6.005 -13.980 7.185 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -4.305 -17.486 8.910 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -6.888 -13.327 9.382 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -5.195 -16.840 11.105 1.00 0.00 H new ATOM 0 HH TYR A 108 -6.342 -15.356 12.270 1.00 0.00 H new ATOM 1637 N THR A 109 -1.106 -16.581 5.775 1.00 0.00 N ATOM 1638 CA THR A 109 -0.165 -17.449 5.078 1.00 0.00 C ATOM 1639 C THR A 109 -0.851 -18.717 4.582 1.00 0.00 C ATOM 1640 O THR A 109 -1.844 -19.163 5.157 1.00 0.00 O ATOM 1641 CB THR A 109 1.016 -17.840 5.986 1.00 0.00 C ATOM 1642 OG1 THR A 109 0.539 -18.556 7.131 1.00 0.00 O ATOM 1643 CG2 THR A 109 1.784 -16.606 6.437 1.00 0.00 C ATOM 0 H THR A 109 -0.722 -16.119 6.599 1.00 0.00 H new ATOM 0 HA THR A 109 0.213 -16.886 4.225 1.00 0.00 H new ATOM 0 HB THR A 109 1.689 -18.479 5.414 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.238 -18.579 7.817 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.613 -16.907 7.077 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.172 -16.080 5.565 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.118 -15.946 6.993 1.00 0.00 H new ATOM 1651 N SER A 110 -0.315 -19.294 3.511 1.00 0.00 N ATOM 1652 CA SER A 110 -0.877 -20.509 2.935 1.00 0.00 C ATOM 1653 C SER A 110 -1.140 -21.552 4.017 1.00 0.00 C ATOM 1654 O SER A 110 -0.315 -21.765 4.904 1.00 0.00 O ATOM 1655 CB SER A 110 0.068 -21.083 1.878 1.00 0.00 C ATOM 1656 OG SER A 110 -0.531 -22.170 1.194 1.00 0.00 O ATOM 0 H SER A 110 0.508 -18.939 3.025 1.00 0.00 H new ATOM 0 HA SER A 110 -1.825 -20.252 2.463 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.337 -20.304 1.164 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.992 -21.413 2.353 1.00 0.00 H new ATOM 0 HG SER A 110 0.093 -22.518 0.523 1.00 0.00 H new ATOM 1662 N GLY A 111 -2.299 -22.200 3.937 1.00 0.00 N ATOM 1663 CA GLY A 111 -2.652 -23.212 4.915 1.00 0.00 C ATOM 1664 C GLY A 111 -3.923 -23.953 4.550 1.00 0.00 C ATOM 1665 O GLY A 111 -3.932 -24.763 3.621 1.00 0.00 O ATOM 0 H GLY A 111 -2.999 -22.042 3.212 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -1.833 -23.925 5.007 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.776 -22.742 5.891 1.00 0.00 H new ATOM 1669 N CYS A 112 -4.997 -23.678 5.281 1.00 0.00 N ATOM 1670 CA CYS A 112 -6.279 -24.327 5.031 1.00 0.00 C ATOM 1671 C CYS A 112 -6.919 -23.792 3.754 1.00 0.00 C ATOM 1672 O CYS A 112 -7.498 -22.706 3.746 1.00 0.00 O ATOM 1673 CB CYS A 112 -7.222 -24.114 6.216 1.00 0.00 C ATOM 1674 SG CYS A 112 -6.800 -25.089 7.679 1.00 0.00 S ATOM 0 H CYS A 112 -5.006 -23.010 6.052 1.00 0.00 H new ATOM 0 HA CYS A 112 -6.099 -25.395 4.906 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -7.219 -23.057 6.483 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -8.238 -24.362 5.908 1.00 0.00 H new ATOM 0 HG CYS A 112 -7.653 -24.839 8.628 1.00 0.00 H new ATOM 1680 N SER A 113 -6.808 -24.561 2.675 1.00 0.00 N ATOM 1681 CA SER A 113 -7.371 -24.162 1.391 1.00 0.00 C ATOM 1682 C SER A 113 -8.578 -25.024 1.035 1.00 0.00 C ATOM 1683 O SER A 113 -8.472 -25.970 0.256 1.00 0.00 O ATOM 1684 CB SER A 113 -6.312 -24.268 0.291 1.00 0.00 C ATOM 1685 OG SER A 113 -6.650 -23.459 -0.822 1.00 0.00 O ATOM 0 H SER A 113 -6.333 -25.464 2.665 1.00 0.00 H new ATOM 0 HA SER A 113 -7.698 -23.126 1.472 1.00 0.00 H new ATOM 0 HB2 SER A 113 -5.342 -23.963 0.685 1.00 0.00 H new ATOM 0 HB3 SER A 113 -6.215 -25.306 -0.026 1.00 0.00 H new ATOM 0 HG SER A 113 -5.957 -23.543 -1.510 1.00 0.00 H new ATOM 1691 N GLY A 114 -9.728 -24.690 1.614 1.00 0.00 N ATOM 1692 CA GLY A 114 -10.939 -25.442 1.346 1.00 0.00 C ATOM 1693 C GLY A 114 -12.079 -24.559 0.878 1.00 0.00 C ATOM 1694 O GLY A 114 -12.922 -24.129 1.665 1.00 0.00 O ATOM 0 H GLY A 114 -9.842 -23.912 2.264 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -10.734 -26.197 0.587 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -11.241 -25.972 2.249 1.00 0.00 H new ATOM 1698 N PRO A 115 -12.113 -24.276 -0.432 1.00 0.00 N ATOM 1699 CA PRO A 115 -13.152 -23.435 -1.033 1.00 0.00 C ATOM 1700 C PRO A 115 -14.516 -24.118 -1.046 1.00 0.00 C ATOM 1701 O PRO A 115 -14.609 -25.336 -1.195 1.00 0.00 O ATOM 1702 CB PRO A 115 -12.650 -23.217 -2.463 1.00 0.00 C ATOM 1703 CG PRO A 115 -11.778 -24.393 -2.741 1.00 0.00 C ATOM 1704 CD PRO A 115 -11.140 -24.755 -1.428 1.00 0.00 C ATOM 0 HA PRO A 115 -13.302 -22.511 -0.474 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -13.478 -23.162 -3.169 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -12.095 -22.283 -2.550 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -12.360 -25.226 -3.135 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -11.022 -24.151 -3.488 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -10.975 -25.829 -1.344 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -10.170 -24.273 -1.306 1.00 0.00 H new ATOM 1712 N SER A 116 -15.571 -23.325 -0.888 1.00 0.00 N ATOM 1713 CA SER A 116 -16.930 -23.854 -0.878 1.00 0.00 C ATOM 1714 C SER A 116 -17.704 -23.386 -2.106 1.00 0.00 C ATOM 1715 O SER A 116 -17.509 -22.271 -2.588 1.00 0.00 O ATOM 1716 CB SER A 116 -17.659 -23.420 0.395 1.00 0.00 C ATOM 1717 OG SER A 116 -18.799 -24.229 0.631 1.00 0.00 O ATOM 0 H SER A 116 -15.511 -22.314 -0.765 1.00 0.00 H new ATOM 0 HA SER A 116 -16.870 -24.942 -0.901 1.00 0.00 H new ATOM 0 HB2 SER A 116 -16.981 -23.484 1.246 1.00 0.00 H new ATOM 0 HB3 SER A 116 -17.962 -22.377 0.307 1.00 0.00 H new ATOM 0 HG SER A 116 -19.246 -23.933 1.451 1.00 0.00 H new ATOM 1723 N SER A 117 -18.584 -24.248 -2.607 1.00 0.00 N ATOM 1724 CA SER A 117 -19.386 -23.925 -3.781 1.00 0.00 C ATOM 1725 C SER A 117 -20.681 -23.226 -3.379 1.00 0.00 C ATOM 1726 O SER A 117 -20.998 -22.147 -3.879 1.00 0.00 O ATOM 1727 CB SER A 117 -19.703 -25.195 -4.572 1.00 0.00 C ATOM 1728 OG SER A 117 -20.279 -24.883 -5.829 1.00 0.00 O ATOM 0 H SER A 117 -18.759 -25.175 -2.218 1.00 0.00 H new ATOM 0 HA SER A 117 -18.809 -23.248 -4.410 1.00 0.00 H new ATOM 0 HB2 SER A 117 -18.790 -25.772 -4.720 1.00 0.00 H new ATOM 0 HB3 SER A 117 -20.387 -25.822 -4.000 1.00 0.00 H new ATOM 0 HG SER A 117 -20.471 -25.712 -6.316 1.00 0.00 H new ATOM 1734 N GLY A 118 -21.426 -23.849 -2.471 1.00 0.00 N ATOM 1735 CA GLY A 118 -22.678 -23.274 -2.017 1.00 0.00 C ATOM 1736 C GLY A 118 -23.374 -24.140 -0.986 1.00 0.00 C ATOM 1737 O GLY A 118 -24.580 -24.373 -1.074 1.00 0.00 O ATOM 0 H GLY A 118 -21.184 -24.742 -2.042 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -22.488 -22.289 -1.591 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -23.339 -23.130 -2.872 1.00 0.00 H new TER 1741 GLY A 118