USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=40 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 -108:sc= -2.33 (180deg=-8.81!) USER MOD Set 1.2: A 86 CYS SG : rot 97:sc= -1.5 USER MOD Set 2.1: A 50 ASN :FLIP amide:sc= -0.0226 F(o=-1,f=-0.023) USER MOD Set 2.2: A 69 MET CE :methyl -177:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.0466 (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 -100:sc= 0.0473 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -82:sc= 0.0156 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.048 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 106:sc= 1.23 USER MOD Single : A 22 ASN :FLIP amide:sc= 0.326 F(o=-2!,f=0.33) USER MOD Single : A 28 ASN : amide:sc= -0.0361 X(o=-0.036,f=-0.4) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.281 USER MOD Single : A 31 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0433) USER MOD Single : A 32 ASN :FLIP amide:sc= -0.707 F(o=-2.9,f=-0.71) USER MOD Single : A 33 SER OG : rot -7:sc= 0.0908 USER MOD Single : A 35 THR OG1 : rot 68:sc= 0.442 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-2.6!) 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= -1.2 K(o=-1.2,f=-2.5!) USER MOD Single : A 46 SER OG : rot 130:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00242 X(o=-0.0024,f=-0.28) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -3.01 K(o=-3,f=-11!) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 CYS SG : rot 126:sc= 0.991 USER MOD Single : A 68 TYR OH : rot 70:sc= -0.829 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.466 X(o=-0.47,f=-0.053) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -2.76! C(o=-2.8!,f=-3.6!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.00139 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 -109:sc= 1.52 USER MOD Single : A 94 ASN : amide:sc= -2.93! C(o=-2.9!,f=-14!) USER MOD Single : A 96 TYR OH : rot 30:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= -1.36 USER MOD Single : A 99 SER OG : rot 137:sc= -0.0135 USER MOD Single : A 102 SER OG : rot 130:sc= 0.49 USER MOD Single : A 107 TYR OH : rot 180:sc= -0.059 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 172:sc= 1.2 USER MOD Single : A 110 SER OG : rot 119:sc= 1.24 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 30:sc= 0.097 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.482 12.961 -10.361 1.00 0.00 N ATOM 2 CA GLY A 1 -22.065 14.319 -10.658 1.00 0.00 C ATOM 3 C GLY A 1 -20.681 14.631 -10.124 1.00 0.00 C ATOM 4 O GLY A 1 -20.204 13.976 -9.197 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.601 12.432 -11.249 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.759 12.496 -9.775 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.385 12.980 -9.846 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.077 14.472 -11.737 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.783 15.018 -10.229 1.00 0.00 H new ATOM 8 N SER A 2 -20.034 15.633 -10.710 1.00 0.00 N ATOM 9 CA SER A 2 -18.694 16.027 -10.291 1.00 0.00 C ATOM 10 C SER A 2 -18.390 17.459 -10.719 1.00 0.00 C ATOM 11 O SER A 2 -19.086 18.029 -11.560 1.00 0.00 O ATOM 12 CB SER A 2 -17.652 15.074 -10.880 1.00 0.00 C ATOM 13 OG SER A 2 -17.549 15.237 -12.284 1.00 0.00 O ATOM 0 H SER A 2 -20.416 16.187 -11.477 1.00 0.00 H new ATOM 0 HA SER A 2 -18.650 15.975 -9.203 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.683 15.259 -10.417 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.925 14.044 -10.649 1.00 0.00 H new ATOM 0 HG SER A 2 -16.876 14.618 -12.637 1.00 0.00 H new ATOM 19 N SER A 3 -17.345 18.036 -10.134 1.00 0.00 N ATOM 20 CA SER A 3 -16.950 19.403 -10.451 1.00 0.00 C ATOM 21 C SER A 3 -15.511 19.450 -10.956 1.00 0.00 C ATOM 22 O SER A 3 -14.644 18.730 -10.463 1.00 0.00 O ATOM 23 CB SER A 3 -17.098 20.299 -9.219 1.00 0.00 C ATOM 24 OG SER A 3 -16.910 21.662 -9.554 1.00 0.00 O ATOM 0 H SER A 3 -16.757 17.578 -9.438 1.00 0.00 H new ATOM 0 HA SER A 3 -17.607 19.770 -11.240 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.087 20.162 -8.783 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.372 20.004 -8.462 1.00 0.00 H new ATOM 0 HG SER A 3 -17.011 22.213 -8.750 1.00 0.00 H new ATOM 30 N GLY A 4 -15.265 20.303 -11.945 1.00 0.00 N ATOM 31 CA GLY A 4 -13.930 20.429 -12.502 1.00 0.00 C ATOM 32 C GLY A 4 -13.943 20.952 -13.925 1.00 0.00 C ATOM 33 O GLY A 4 -14.850 20.646 -14.698 1.00 0.00 O ATOM 0 H GLY A 4 -15.966 20.909 -12.371 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.341 21.100 -11.877 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.437 19.457 -12.480 1.00 0.00 H new ATOM 37 N SER A 5 -12.934 21.745 -14.271 1.00 0.00 N ATOM 38 CA SER A 5 -12.835 22.316 -15.609 1.00 0.00 C ATOM 39 C SER A 5 -11.426 22.148 -16.169 1.00 0.00 C ATOM 40 O SER A 5 -10.440 22.485 -15.513 1.00 0.00 O ATOM 41 CB SER A 5 -13.211 23.799 -15.582 1.00 0.00 C ATOM 42 OG SER A 5 -12.194 24.572 -14.969 1.00 0.00 O ATOM 0 H SER A 5 -12.174 22.007 -13.643 1.00 0.00 H new ATOM 0 HA SER A 5 -13.531 21.783 -16.257 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.378 24.153 -16.599 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.148 23.930 -15.041 1.00 0.00 H new ATOM 0 HG SER A 5 -12.449 24.773 -14.044 1.00 0.00 H new ATOM 48 N SER A 6 -11.339 21.623 -17.387 1.00 0.00 N ATOM 49 CA SER A 6 -10.051 21.405 -18.036 1.00 0.00 C ATOM 50 C SER A 6 -9.667 22.604 -18.897 1.00 0.00 C ATOM 51 O SER A 6 -9.173 22.448 -20.013 1.00 0.00 O ATOM 52 CB SER A 6 -10.096 20.139 -18.894 1.00 0.00 C ATOM 53 OG SER A 6 -10.278 18.986 -18.092 1.00 0.00 O ATOM 0 H SER A 6 -12.145 21.341 -17.945 1.00 0.00 H new ATOM 0 HA SER A 6 -9.297 21.282 -17.259 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.908 20.215 -19.617 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.170 20.048 -19.462 1.00 0.00 H new ATOM 0 HG SER A 6 -10.305 18.191 -18.664 1.00 0.00 H new ATOM 59 N GLY A 7 -9.899 23.803 -18.370 1.00 0.00 N ATOM 60 CA GLY A 7 -9.572 25.012 -19.103 1.00 0.00 C ATOM 61 C GLY A 7 -8.593 25.896 -18.357 1.00 0.00 C ATOM 62 O GLY A 7 -7.851 25.423 -17.496 1.00 0.00 O ATOM 0 H GLY A 7 -10.308 23.958 -17.448 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.149 24.743 -20.071 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.486 25.573 -19.299 1.00 0.00 H new ATOM 66 N ALA A 8 -8.589 27.183 -18.687 1.00 0.00 N ATOM 67 CA ALA A 8 -7.695 28.135 -18.042 1.00 0.00 C ATOM 68 C ALA A 8 -8.032 28.289 -16.563 1.00 0.00 C ATOM 69 O ALA A 8 -8.853 29.126 -16.188 1.00 0.00 O ATOM 70 CB ALA A 8 -7.763 29.484 -18.744 1.00 0.00 C ATOM 0 H ALA A 8 -9.196 27.590 -19.398 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.678 27.749 -18.118 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.090 30.185 -18.251 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.466 29.367 -19.786 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.782 29.867 -18.698 1.00 0.00 H new ATOM 76 N GLU A 9 -7.393 27.476 -15.727 1.00 0.00 N ATOM 77 CA GLU A 9 -7.627 27.523 -14.288 1.00 0.00 C ATOM 78 C GLU A 9 -6.311 27.454 -13.520 1.00 0.00 C ATOM 79 O GLU A 9 -5.541 26.505 -13.671 1.00 0.00 O ATOM 80 CB GLU A 9 -8.541 26.372 -13.861 1.00 0.00 C ATOM 81 CG GLU A 9 -8.860 26.368 -12.376 1.00 0.00 C ATOM 82 CD GLU A 9 -10.092 25.548 -12.046 1.00 0.00 C ATOM 83 OE1 GLU A 9 -11.189 25.909 -12.521 1.00 0.00 O ATOM 84 OE2 GLU A 9 -9.960 24.546 -11.313 1.00 0.00 O ATOM 0 H GLU A 9 -6.710 26.778 -16.021 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.113 28.470 -14.055 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.472 26.431 -14.424 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.068 25.426 -14.125 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.006 25.972 -11.826 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.009 27.393 -12.038 1.00 0.00 H new ATOM 91 N ILE A 10 -6.060 28.466 -12.696 1.00 0.00 N ATOM 92 CA ILE A 10 -4.837 28.520 -11.904 1.00 0.00 C ATOM 93 C ILE A 10 -4.540 27.171 -11.259 1.00 0.00 C ATOM 94 O ILE A 10 -5.445 26.486 -10.781 1.00 0.00 O ATOM 95 CB ILE A 10 -4.927 29.594 -10.804 1.00 0.00 C ATOM 96 CG1 ILE A 10 -5.172 30.971 -11.424 1.00 0.00 C ATOM 97 CG2 ILE A 10 -3.657 29.602 -9.966 1.00 0.00 C ATOM 98 CD1 ILE A 10 -5.936 31.914 -10.520 1.00 0.00 C ATOM 0 H ILE A 10 -6.687 29.259 -12.559 1.00 0.00 H new ATOM 0 HA ILE A 10 -4.029 28.778 -12.588 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.767 29.356 -10.152 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -4.213 31.422 -11.678 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.723 30.848 -12.356 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.736 30.366 -9.193 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.523 28.626 -9.499 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.801 29.819 -10.605 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.073 32.870 -11.024 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.910 31.484 -10.286 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.376 32.067 -9.598 1.00 0.00 H new ATOM 110 N PHE A 11 -3.266 26.795 -11.247 1.00 0.00 N ATOM 111 CA PHE A 11 -2.848 25.527 -10.660 1.00 0.00 C ATOM 112 C PHE A 11 -3.499 25.319 -9.296 1.00 0.00 C ATOM 113 O PHE A 11 -4.137 24.295 -9.049 1.00 0.00 O ATOM 114 CB PHE A 11 -1.324 25.482 -10.523 1.00 0.00 C ATOM 115 CG PHE A 11 -0.600 25.649 -11.827 1.00 0.00 C ATOM 116 CD1 PHE A 11 -0.647 24.657 -12.794 1.00 0.00 C ATOM 117 CD2 PHE A 11 0.130 26.798 -12.087 1.00 0.00 C ATOM 118 CE1 PHE A 11 0.018 24.808 -13.996 1.00 0.00 C ATOM 119 CE2 PHE A 11 0.797 26.954 -13.288 1.00 0.00 C ATOM 120 CZ PHE A 11 0.742 25.958 -14.242 1.00 0.00 C ATOM 0 H PHE A 11 -2.505 27.350 -11.637 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.170 24.724 -11.323 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.006 26.267 -9.837 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.035 24.531 -10.076 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.210 23.755 -12.606 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.178 27.580 -11.344 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.028 24.028 -14.742 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.361 27.855 -13.480 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.264 26.078 -15.180 1.00 0.00 H new ATOM 130 N THR A 12 -3.333 26.298 -8.412 1.00 0.00 N ATOM 131 CA THR A 12 -3.902 26.223 -7.072 1.00 0.00 C ATOM 132 C THR A 12 -3.743 24.825 -6.485 1.00 0.00 C ATOM 133 O THR A 12 -4.637 24.320 -5.804 1.00 0.00 O ATOM 134 CB THR A 12 -5.396 26.599 -7.075 1.00 0.00 C ATOM 135 OG1 THR A 12 -6.140 25.647 -7.842 1.00 0.00 O ATOM 136 CG2 THR A 12 -5.601 27.993 -7.649 1.00 0.00 C ATOM 0 H THR A 12 -2.809 27.153 -8.600 1.00 0.00 H new ATOM 0 HA THR A 12 -3.356 26.937 -6.456 1.00 0.00 H new ATOM 0 HB THR A 12 -5.752 26.591 -6.045 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.076 25.872 -8.794 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.663 28.237 -7.641 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.057 28.719 -7.044 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.229 28.023 -8.673 1.00 0.00 H new ATOM 144 N THR A 13 -2.599 24.202 -6.752 1.00 0.00 N ATOM 145 CA THR A 13 -2.323 22.862 -6.250 1.00 0.00 C ATOM 146 C THR A 13 -1.902 22.899 -4.786 1.00 0.00 C ATOM 147 O THR A 13 -1.236 23.837 -4.344 1.00 0.00 O ATOM 148 CB THR A 13 -1.220 22.170 -7.073 1.00 0.00 C ATOM 149 OG1 THR A 13 -1.218 22.676 -8.413 1.00 0.00 O ATOM 150 CG2 THR A 13 -1.425 20.663 -7.094 1.00 0.00 C ATOM 0 H THR A 13 -1.849 24.605 -7.313 1.00 0.00 H new ATOM 0 HA THR A 13 -3.248 22.293 -6.344 1.00 0.00 H new ATOM 0 HB THR A 13 -0.260 22.383 -6.604 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.513 22.232 -8.929 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.634 20.196 -7.681 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.396 20.278 -6.075 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.392 20.434 -7.541 1.00 0.00 H new ATOM 158 N LEU A 14 -2.292 21.874 -4.036 1.00 0.00 N ATOM 159 CA LEU A 14 -1.953 21.789 -2.620 1.00 0.00 C ATOM 160 C LEU A 14 -0.536 21.257 -2.430 1.00 0.00 C ATOM 161 O LEU A 14 -0.176 20.213 -2.974 1.00 0.00 O ATOM 162 CB LEU A 14 -2.951 20.888 -1.890 1.00 0.00 C ATOM 163 CG LEU A 14 -4.427 21.119 -2.215 1.00 0.00 C ATOM 164 CD1 LEU A 14 -5.311 20.539 -1.122 1.00 0.00 C ATOM 165 CD2 LEU A 14 -4.706 22.604 -2.398 1.00 0.00 C ATOM 0 H LEU A 14 -2.843 21.090 -4.385 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.003 22.793 -2.199 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.708 19.850 -2.118 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.811 21.019 -0.817 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.658 20.608 -3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.358 20.713 -1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.131 19.467 -1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.079 21.021 -0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.761 22.750 -2.629 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.458 23.137 -1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.099 22.990 -3.217 1.00 0.00 H new ATOM 177 N SER A 15 0.263 21.981 -1.652 1.00 0.00 N ATOM 178 CA SER A 15 1.641 21.583 -1.391 1.00 0.00 C ATOM 179 C SER A 15 1.767 20.930 -0.018 1.00 0.00 C ATOM 180 O SER A 15 2.098 21.590 0.967 1.00 0.00 O ATOM 181 CB SER A 15 2.570 22.795 -1.479 1.00 0.00 C ATOM 182 OG SER A 15 2.423 23.461 -2.722 1.00 0.00 O ATOM 0 H SER A 15 -0.021 22.846 -1.192 1.00 0.00 H new ATOM 0 HA SER A 15 1.932 20.855 -2.148 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.350 23.485 -0.665 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.604 22.474 -1.355 1.00 0.00 H new ATOM 0 HG SER A 15 3.026 24.233 -2.753 1.00 0.00 H new ATOM 188 N CYS A 16 1.500 19.630 0.038 1.00 0.00 N ATOM 189 CA CYS A 16 1.583 18.886 1.290 1.00 0.00 C ATOM 190 C CYS A 16 1.812 17.401 1.026 1.00 0.00 C ATOM 191 O CYS A 16 1.889 16.970 -0.124 1.00 0.00 O ATOM 192 CB CYS A 16 0.305 19.079 2.107 1.00 0.00 C ATOM 193 SG CYS A 16 -1.190 18.466 1.295 1.00 0.00 S ATOM 0 H CYS A 16 1.224 19.069 -0.768 1.00 0.00 H new ATOM 0 HA CYS A 16 2.431 19.271 1.857 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.419 18.572 3.065 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.180 20.140 2.321 1.00 0.00 H new ATOM 0 HG CYS A 16 -1.568 17.358 1.860 1.00 0.00 H new ATOM 199 N GLU A 17 1.923 16.625 2.100 1.00 0.00 N ATOM 200 CA GLU A 17 2.147 15.189 1.983 1.00 0.00 C ATOM 201 C GLU A 17 1.391 14.616 0.788 1.00 0.00 C ATOM 202 O GLU A 17 0.355 15.134 0.370 1.00 0.00 O ATOM 203 CB GLU A 17 1.711 14.476 3.265 1.00 0.00 C ATOM 204 CG GLU A 17 0.203 14.368 3.419 1.00 0.00 C ATOM 205 CD GLU A 17 -0.444 15.692 3.776 1.00 0.00 C ATOM 206 OE1 GLU A 17 -0.030 16.301 4.785 1.00 0.00 O ATOM 207 OE2 GLU A 17 -1.364 16.119 3.048 1.00 0.00 O ATOM 0 H GLU A 17 1.862 16.966 3.059 1.00 0.00 H new ATOM 0 HA GLU A 17 3.214 15.025 1.829 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.142 13.475 3.278 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.118 15.010 4.124 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.228 13.997 2.489 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.028 13.635 4.192 1.00 0.00 H new ATOM 214 N PRO A 18 1.920 13.520 0.224 1.00 0.00 N ATOM 215 CA PRO A 18 1.313 12.852 -0.931 1.00 0.00 C ATOM 216 C PRO A 18 0.004 12.156 -0.575 1.00 0.00 C ATOM 217 O PRO A 18 -0.479 12.260 0.552 1.00 0.00 O ATOM 218 CB PRO A 18 2.370 11.824 -1.343 1.00 0.00 C ATOM 219 CG PRO A 18 3.143 11.556 -0.098 1.00 0.00 C ATOM 220 CD PRO A 18 3.153 12.848 0.670 1.00 0.00 C ATOM 0 HA PRO A 18 1.055 13.558 -1.721 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.909 10.914 -1.726 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.013 12.212 -2.133 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.680 10.759 0.485 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.158 11.233 -0.331 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.150 12.676 1.746 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.039 13.442 0.445 1.00 0.00 H new ATOM 228 N ASP A 19 -0.566 11.446 -1.543 1.00 0.00 N ATOM 229 CA ASP A 19 -1.819 10.731 -1.332 1.00 0.00 C ATOM 230 C ASP A 19 -1.557 9.304 -0.859 1.00 0.00 C ATOM 231 O ASP A 19 -0.530 8.710 -1.187 1.00 0.00 O ATOM 232 CB ASP A 19 -2.644 10.712 -2.619 1.00 0.00 C ATOM 233 CG ASP A 19 -4.073 10.263 -2.385 1.00 0.00 C ATOM 234 OD1 ASP A 19 -4.606 10.532 -1.289 1.00 0.00 O ATOM 235 OD2 ASP A 19 -4.657 9.642 -3.298 1.00 0.00 O ATOM 0 H ASP A 19 -0.180 11.350 -2.482 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.381 11.254 -0.558 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.647 11.709 -3.060 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.171 10.046 -3.341 1.00 0.00 H new ATOM 240 N ILE A 20 -2.492 8.761 -0.087 1.00 0.00 N ATOM 241 CA ILE A 20 -2.362 7.405 0.430 1.00 0.00 C ATOM 242 C ILE A 20 -2.405 6.380 -0.698 1.00 0.00 C ATOM 243 O ILE A 20 -3.393 6.259 -1.423 1.00 0.00 O ATOM 244 CB ILE A 20 -3.474 7.081 1.446 1.00 0.00 C ATOM 245 CG1 ILE A 20 -3.444 8.080 2.604 1.00 0.00 C ATOM 246 CG2 ILE A 20 -3.320 5.658 1.963 1.00 0.00 C ATOM 247 CD1 ILE A 20 -4.651 7.991 3.511 1.00 0.00 C ATOM 0 H ILE A 20 -3.348 9.240 0.194 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.396 7.350 0.931 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.439 7.163 0.945 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.543 7.912 3.194 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.377 9.090 2.200 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.113 5.444 2.680 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.386 4.959 1.129 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.351 5.551 2.451 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.562 8.728 4.309 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.555 8.188 2.934 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.708 6.992 3.944 1.00 0.00 H new ATOM 259 N PRO A 21 -1.309 5.622 -0.851 1.00 0.00 N ATOM 260 CA PRO A 21 -1.198 4.592 -1.888 1.00 0.00 C ATOM 261 C PRO A 21 -2.106 3.397 -1.618 1.00 0.00 C ATOM 262 O PRO A 21 -2.321 3.016 -0.468 1.00 0.00 O ATOM 263 CB PRO A 21 0.273 4.173 -1.815 1.00 0.00 C ATOM 264 CG PRO A 21 0.689 4.492 -0.420 1.00 0.00 C ATOM 265 CD PRO A 21 -0.095 5.712 -0.023 1.00 0.00 C ATOM 0 HA PRO A 21 -1.502 4.964 -2.866 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.393 3.111 -2.031 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.876 4.717 -2.542 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.479 3.658 0.250 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.761 4.682 -0.366 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.333 5.708 1.041 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.460 6.629 -0.222 1.00 0.00 H new ATOM 273 N ASN A 22 -2.636 2.809 -2.685 1.00 0.00 N ATOM 274 CA ASN A 22 -3.521 1.657 -2.563 1.00 0.00 C ATOM 275 C ASN A 22 -2.836 0.522 -1.806 1.00 0.00 C ATOM 276 O ASN A 22 -1.610 0.426 -1.759 1.00 0.00 O ATOM 277 CB ASN A 22 -3.957 1.172 -3.947 1.00 0.00 C ATOM 278 CG ASN A 22 -2.900 1.423 -5.006 1.00 0.00 C ATOM 279 OD1 ASN A 22 -2.852 2.648 -5.514 1.00 0.00 O flip ATOM 280 ND2 ASN A 22 -2.137 0.525 -5.362 1.00 0.00 N flip ATOM 0 H ASN A 22 -2.468 3.112 -3.644 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.402 1.966 -2.000 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -4.177 0.105 -3.903 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -4.880 1.677 -4.232 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.210 -0.402 -4.944 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.431 0.708 -6.075 1.00 0.00 H new ATOM 287 N PRO A 23 -3.646 -0.359 -1.201 1.00 0.00 N ATOM 288 CA PRO A 23 -3.141 -1.503 -0.437 1.00 0.00 C ATOM 289 C PRO A 23 -2.499 -2.559 -1.330 1.00 0.00 C ATOM 290 O PRO A 23 -2.944 -2.813 -2.450 1.00 0.00 O ATOM 291 CB PRO A 23 -4.397 -2.064 0.235 1.00 0.00 C ATOM 292 CG PRO A 23 -5.520 -1.638 -0.646 1.00 0.00 C ATOM 293 CD PRO A 23 -5.118 -0.306 -1.216 1.00 0.00 C ATOM 0 HA PRO A 23 -2.360 -1.211 0.265 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.350 -3.150 0.319 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.515 -1.671 1.245 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.691 -2.366 -1.439 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.449 -1.557 -0.082 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -5.505 -0.168 -2.226 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.497 0.520 -0.614 1.00 0.00 H new ATOM 301 N PRO A 24 -1.428 -3.190 -0.827 1.00 0.00 N ATOM 302 CA PRO A 24 -0.702 -4.229 -1.563 1.00 0.00 C ATOM 303 C PRO A 24 -1.514 -5.513 -1.705 1.00 0.00 C ATOM 304 O PRO A 24 -2.373 -5.810 -0.875 1.00 0.00 O ATOM 305 CB PRO A 24 0.539 -4.474 -0.702 1.00 0.00 C ATOM 306 CG PRO A 24 0.131 -4.070 0.673 1.00 0.00 C ATOM 307 CD PRO A 24 -0.842 -2.937 0.501 1.00 0.00 C ATOM 0 HA PRO A 24 -0.475 -3.922 -2.584 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.843 -5.520 -0.734 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.387 -3.885 -1.053 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.330 -4.903 1.204 1.00 0.00 H new ATOM 0 HG3 PRO A 24 0.994 -3.757 1.260 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -1.602 -2.938 1.282 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.343 -1.969 0.542 1.00 0.00 H new ATOM 315 N ARG A 25 -1.235 -6.270 -2.761 1.00 0.00 N ATOM 316 CA ARG A 25 -1.940 -7.521 -3.011 1.00 0.00 C ATOM 317 C ARG A 25 -1.001 -8.714 -2.857 1.00 0.00 C ATOM 318 O ARG A 25 0.217 -8.552 -2.779 1.00 0.00 O ATOM 319 CB ARG A 25 -2.550 -7.516 -4.414 1.00 0.00 C ATOM 320 CG ARG A 25 -1.561 -7.145 -5.507 1.00 0.00 C ATOM 321 CD ARG A 25 -2.206 -7.196 -6.883 1.00 0.00 C ATOM 322 NE ARG A 25 -1.224 -7.423 -7.940 1.00 0.00 N ATOM 323 CZ ARG A 25 -1.523 -7.955 -9.119 1.00 0.00 C ATOM 324 NH1 ARG A 25 -2.770 -8.314 -9.391 1.00 0.00 N ATOM 325 NH2 ARG A 25 -0.574 -8.130 -10.030 1.00 0.00 N ATOM 0 H ARG A 25 -0.526 -6.039 -3.457 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.739 -7.612 -2.275 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.960 -8.504 -4.626 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.383 -6.814 -4.436 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.173 -6.143 -5.323 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.711 -7.827 -5.477 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.952 -7.991 -6.904 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.732 -6.260 -7.072 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.255 -7.158 -7.763 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.502 -8.182 -8.694 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.997 -8.722 -10.298 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.387 -7.856 -9.825 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.805 -8.539 -10.935 1.00 0.00 H new ATOM 339 N ILE A 26 -1.576 -9.911 -2.815 1.00 0.00 N ATOM 340 CA ILE A 26 -0.791 -11.131 -2.671 1.00 0.00 C ATOM 341 C ILE A 26 -0.504 -11.763 -4.028 1.00 0.00 C ATOM 342 O ILE A 26 -1.420 -12.035 -4.804 1.00 0.00 O ATOM 343 CB ILE A 26 -1.509 -12.161 -1.779 1.00 0.00 C ATOM 344 CG1 ILE A 26 -1.263 -11.847 -0.301 1.00 0.00 C ATOM 345 CG2 ILE A 26 -1.039 -13.569 -2.112 1.00 0.00 C ATOM 346 CD1 ILE A 26 0.146 -12.154 0.156 1.00 0.00 C ATOM 0 H ILE A 26 -2.583 -10.062 -2.879 1.00 0.00 H new ATOM 0 HA ILE A 26 0.149 -10.847 -2.199 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.580 -12.102 -1.971 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.472 -10.792 -0.122 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.966 -12.419 0.305 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.555 -14.286 -1.473 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.260 -13.789 -3.157 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.036 -13.643 -1.945 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.248 -11.907 1.213 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.353 -13.214 0.010 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.854 -11.562 -0.425 1.00 0.00 H new ATOM 358 N ALA A 27 0.774 -11.996 -4.308 1.00 0.00 N ATOM 359 CA ALA A 27 1.181 -12.601 -5.571 1.00 0.00 C ATOM 360 C ALA A 27 1.767 -13.991 -5.350 1.00 0.00 C ATOM 361 O ALA A 27 1.911 -14.771 -6.290 1.00 0.00 O ATOM 362 CB ALA A 27 2.188 -11.709 -6.282 1.00 0.00 C ATOM 0 H ALA A 27 1.545 -11.775 -3.678 1.00 0.00 H new ATOM 0 HA ALA A 27 0.296 -12.704 -6.198 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.484 -12.172 -7.223 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.736 -10.737 -6.482 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.067 -11.577 -5.651 1.00 0.00 H new ATOM 368 N ASN A 28 2.104 -14.295 -4.100 1.00 0.00 N ATOM 369 CA ASN A 28 2.676 -15.592 -3.756 1.00 0.00 C ATOM 370 C ASN A 28 2.859 -15.722 -2.247 1.00 0.00 C ATOM 371 O ASN A 28 3.664 -15.010 -1.646 1.00 0.00 O ATOM 372 CB ASN A 28 4.019 -15.784 -4.464 1.00 0.00 C ATOM 373 CG ASN A 28 4.314 -17.242 -4.757 1.00 0.00 C ATOM 374 OD1 ASN A 28 3.459 -17.972 -5.259 1.00 0.00 O ATOM 375 ND2 ASN A 28 5.530 -17.674 -4.444 1.00 0.00 N ATOM 0 H ASN A 28 1.991 -13.661 -3.309 1.00 0.00 H new ATOM 0 HA ASN A 28 1.985 -16.367 -4.088 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.018 -15.221 -5.398 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.816 -15.372 -3.844 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.787 -18.646 -4.618 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.208 -17.034 -4.029 1.00 0.00 H new ATOM 382 N ARG A 29 2.109 -16.637 -1.642 1.00 0.00 N ATOM 383 CA ARG A 29 2.189 -16.861 -0.204 1.00 0.00 C ATOM 384 C ARG A 29 2.382 -18.342 0.106 1.00 0.00 C ATOM 385 O ARG A 29 1.600 -19.187 -0.332 1.00 0.00 O ATOM 386 CB ARG A 29 0.923 -16.346 0.484 1.00 0.00 C ATOM 387 CG ARG A 29 -0.363 -16.828 -0.166 1.00 0.00 C ATOM 388 CD ARG A 29 -1.572 -16.543 0.712 1.00 0.00 C ATOM 389 NE ARG A 29 -2.639 -17.519 0.507 1.00 0.00 N ATOM 390 CZ ARG A 29 -3.537 -17.433 -0.468 1.00 0.00 C ATOM 391 NH1 ARG A 29 -3.496 -16.421 -1.324 1.00 0.00 N ATOM 392 NH2 ARG A 29 -4.478 -18.361 -0.590 1.00 0.00 N ATOM 0 H ARG A 29 1.439 -17.235 -2.125 1.00 0.00 H new ATOM 0 HA ARG A 29 3.051 -16.313 0.177 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.933 -16.661 1.527 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.936 -15.256 0.480 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.490 -16.338 -1.132 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.296 -17.899 -0.358 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.270 -16.551 1.759 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.949 -15.543 0.497 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.698 -18.310 1.148 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.774 -15.706 -1.235 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.187 -16.357 -2.072 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.512 -19.142 0.066 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.167 -18.293 -1.339 1.00 0.00 H new ATOM 406 N THR A 30 3.430 -18.651 0.863 1.00 0.00 N ATOM 407 CA THR A 30 3.728 -20.030 1.231 1.00 0.00 C ATOM 408 C THR A 30 3.450 -20.278 2.709 1.00 0.00 C ATOM 409 O THR A 30 2.970 -19.393 3.418 1.00 0.00 O ATOM 410 CB THR A 30 5.196 -20.387 0.929 1.00 0.00 C ATOM 411 OG1 THR A 30 6.008 -20.135 2.080 1.00 0.00 O ATOM 412 CG2 THR A 30 5.717 -19.582 -0.252 1.00 0.00 C ATOM 0 H THR A 30 4.087 -17.965 1.234 1.00 0.00 H new ATOM 0 HA THR A 30 3.076 -20.665 0.631 1.00 0.00 H new ATOM 0 HB THR A 30 5.244 -21.446 0.676 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.939 -20.366 1.880 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.755 -19.851 -0.446 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.115 -19.799 -1.134 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.655 -18.518 -0.023 1.00 0.00 H new ATOM 420 N LYS A 31 3.757 -21.486 3.169 1.00 0.00 N ATOM 421 CA LYS A 31 3.542 -21.850 4.565 1.00 0.00 C ATOM 422 C LYS A 31 4.556 -21.158 5.470 1.00 0.00 C ATOM 423 O LYS A 31 4.320 -20.987 6.665 1.00 0.00 O ATOM 424 CB LYS A 31 3.641 -23.368 4.738 1.00 0.00 C ATOM 425 CG LYS A 31 2.748 -24.148 3.788 1.00 0.00 C ATOM 426 CD LYS A 31 2.966 -25.645 3.922 1.00 0.00 C ATOM 427 CE LYS A 31 2.421 -26.172 5.241 1.00 0.00 C ATOM 428 NZ LYS A 31 0.932 -26.225 5.244 1.00 0.00 N ATOM 0 H LYS A 31 4.155 -22.230 2.596 1.00 0.00 H new ATOM 0 HA LYS A 31 2.543 -21.522 4.851 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.676 -23.676 4.586 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.379 -23.626 5.764 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.704 -23.912 3.992 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.950 -23.840 2.762 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.479 -26.160 3.094 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.031 -25.866 3.853 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.820 -27.169 5.427 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.763 -25.535 6.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.604 -26.713 6.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.550 -25.258 5.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.601 -26.741 4.404 1.00 0.00 H new ATOM 442 N ASN A 32 5.684 -20.759 4.891 1.00 0.00 N ATOM 443 CA ASN A 32 6.733 -20.084 5.646 1.00 0.00 C ATOM 444 C ASN A 32 7.261 -18.874 4.882 1.00 0.00 C ATOM 445 O ASN A 32 8.452 -18.567 4.931 1.00 0.00 O ATOM 446 CB ASN A 32 7.880 -21.053 5.945 1.00 0.00 C ATOM 447 CG ASN A 32 7.456 -22.185 6.860 1.00 0.00 C ATOM 448 OD1 ASN A 32 6.561 -23.036 6.373 1.00 0.00 O flip ATOM 449 ND2 ASN A 32 7.929 -22.293 7.992 1.00 0.00 N flip ATOM 0 H ASN A 32 5.895 -20.891 3.902 1.00 0.00 H new ATOM 0 HA ASN A 32 6.304 -19.738 6.586 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.256 -21.467 5.009 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.703 -20.506 6.405 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.615 -21.615 8.325 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.635 -23.060 8.597 1.00 0.00 H new ATOM 456 N SER A 33 6.366 -18.190 4.176 1.00 0.00 N ATOM 457 CA SER A 33 6.741 -17.016 3.398 1.00 0.00 C ATOM 458 C SER A 33 5.504 -16.256 2.930 1.00 0.00 C ATOM 459 O SER A 33 4.386 -16.770 2.989 1.00 0.00 O ATOM 460 CB SER A 33 7.588 -17.426 2.192 1.00 0.00 C ATOM 461 OG SER A 33 8.833 -17.965 2.602 1.00 0.00 O ATOM 0 H SER A 33 5.376 -18.429 4.127 1.00 0.00 H new ATOM 0 HA SER A 33 7.329 -16.359 4.039 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.047 -18.163 1.598 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.756 -16.561 1.551 1.00 0.00 H new ATOM 0 HG SER A 33 8.934 -17.855 3.571 1.00 0.00 H new ATOM 467 N LEU A 34 5.712 -15.028 2.466 1.00 0.00 N ATOM 468 CA LEU A 34 4.614 -14.195 1.988 1.00 0.00 C ATOM 469 C LEU A 34 5.108 -13.178 0.964 1.00 0.00 C ATOM 470 O LEU A 34 6.131 -12.522 1.168 1.00 0.00 O ATOM 471 CB LEU A 34 3.947 -13.474 3.160 1.00 0.00 C ATOM 472 CG LEU A 34 2.770 -14.200 3.813 1.00 0.00 C ATOM 473 CD1 LEU A 34 2.467 -13.604 5.179 1.00 0.00 C ATOM 474 CD2 LEU A 34 1.541 -14.137 2.918 1.00 0.00 C ATOM 0 H LEU A 34 6.630 -14.588 2.411 1.00 0.00 H new ATOM 0 HA LEU A 34 3.883 -14.843 1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.702 -13.288 3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.600 -12.501 2.812 1.00 0.00 H new ATOM 0 HG LEU A 34 3.043 -15.246 3.948 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.627 -14.133 5.629 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.343 -13.702 5.821 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.214 -12.550 5.068 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.714 -14.659 3.399 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.265 -13.096 2.751 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.762 -14.611 1.962 1.00 0.00 H new ATOM 486 N THR A 35 4.375 -13.049 -0.137 1.00 0.00 N ATOM 487 CA THR A 35 4.737 -12.111 -1.191 1.00 0.00 C ATOM 488 C THR A 35 3.658 -11.051 -1.379 1.00 0.00 C ATOM 489 O THR A 35 2.475 -11.369 -1.501 1.00 0.00 O ATOM 490 CB THR A 35 4.969 -12.834 -2.531 1.00 0.00 C ATOM 491 OG1 THR A 35 5.821 -13.968 -2.335 1.00 0.00 O ATOM 492 CG2 THR A 35 5.593 -11.895 -3.553 1.00 0.00 C ATOM 0 H THR A 35 3.526 -13.583 -0.322 1.00 0.00 H new ATOM 0 HA THR A 35 5.665 -11.630 -0.880 1.00 0.00 H new ATOM 0 HB THR A 35 4.003 -13.167 -2.910 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.347 -14.646 -1.809 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.747 -12.429 -4.491 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.928 -11.048 -3.722 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.551 -11.535 -3.179 1.00 0.00 H new ATOM 500 N LEU A 36 4.073 -9.789 -1.403 1.00 0.00 N ATOM 501 CA LEU A 36 3.141 -8.680 -1.577 1.00 0.00 C ATOM 502 C LEU A 36 3.612 -7.741 -2.683 1.00 0.00 C ATOM 503 O LEU A 36 4.783 -7.367 -2.734 1.00 0.00 O ATOM 504 CB LEU A 36 2.987 -7.906 -0.266 1.00 0.00 C ATOM 505 CG LEU A 36 2.604 -8.734 0.961 1.00 0.00 C ATOM 506 CD1 LEU A 36 3.137 -8.087 2.230 1.00 0.00 C ATOM 507 CD2 LEU A 36 1.094 -8.903 1.040 1.00 0.00 C ATOM 0 H LEU A 36 5.049 -9.508 -1.304 1.00 0.00 H new ATOM 0 HA LEU A 36 2.174 -9.093 -1.864 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.927 -7.396 -0.056 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.230 -7.135 -0.409 1.00 0.00 H new ATOM 0 HG LEU A 36 3.056 -9.721 0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.854 -8.691 3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.223 -8.019 2.175 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.716 -7.087 2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.840 -9.495 1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.622 -7.923 1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.738 -9.412 0.145 1.00 0.00 H new ATOM 519 N GLN A 37 2.692 -7.364 -3.564 1.00 0.00 N ATOM 520 CA GLN A 37 3.014 -6.467 -4.667 1.00 0.00 C ATOM 521 C GLN A 37 2.110 -5.238 -4.651 1.00 0.00 C ATOM 522 O GLN A 37 0.907 -5.344 -4.417 1.00 0.00 O ATOM 523 CB GLN A 37 2.875 -7.199 -6.004 1.00 0.00 C ATOM 524 CG GLN A 37 3.901 -8.303 -6.202 1.00 0.00 C ATOM 525 CD GLN A 37 4.050 -8.708 -7.655 1.00 0.00 C ATOM 526 OE1 GLN A 37 3.247 -9.480 -8.181 1.00 0.00 O ATOM 527 NE2 GLN A 37 5.080 -8.188 -8.312 1.00 0.00 N ATOM 0 H GLN A 37 1.718 -7.666 -3.536 1.00 0.00 H new ATOM 0 HA GLN A 37 4.046 -6.138 -4.546 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.875 -7.627 -6.072 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.969 -6.477 -6.815 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.866 -7.969 -5.821 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.610 -9.174 -5.614 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.720 -7.552 -7.836 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.231 -8.424 -9.293 1.00 0.00 H new ATOM 536 N TRP A 38 2.699 -4.075 -4.902 1.00 0.00 N ATOM 537 CA TRP A 38 1.947 -2.825 -4.916 1.00 0.00 C ATOM 538 C TRP A 38 2.438 -1.907 -6.030 1.00 0.00 C ATOM 539 O TRP A 38 3.459 -2.174 -6.664 1.00 0.00 O ATOM 540 CB TRP A 38 2.068 -2.118 -3.565 1.00 0.00 C ATOM 541 CG TRP A 38 3.486 -1.868 -3.150 1.00 0.00 C ATOM 542 CD1 TRP A 38 4.249 -0.777 -3.453 1.00 0.00 C ATOM 543 CD2 TRP A 38 4.312 -2.729 -2.357 1.00 0.00 C ATOM 544 NE1 TRP A 38 5.499 -0.907 -2.897 1.00 0.00 N ATOM 545 CE2 TRP A 38 5.562 -2.096 -2.219 1.00 0.00 C ATOM 546 CE3 TRP A 38 4.115 -3.972 -1.750 1.00 0.00 C ATOM 547 CZ2 TRP A 38 6.609 -2.665 -1.499 1.00 0.00 C ATOM 548 CZ3 TRP A 38 5.156 -4.536 -1.036 1.00 0.00 C ATOM 549 CH2 TRP A 38 6.389 -3.883 -0.915 1.00 0.00 C ATOM 0 H TRP A 38 3.694 -3.971 -5.099 1.00 0.00 H new ATOM 0 HA TRP A 38 0.899 -3.062 -5.101 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.538 -1.167 -3.612 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.575 -2.721 -2.802 1.00 0.00 H new ATOM 0 HD1 TRP A 38 3.919 0.065 -4.043 1.00 0.00 H new ATOM 0 HE1 TRP A 38 6.257 -0.229 -2.976 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.167 -4.483 -1.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 7.561 -2.163 -1.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 5.016 -5.497 -0.563 1.00 0.00 H new ATOM 0 HH2 TRP A 38 7.182 -4.350 -0.350 1.00 0.00 H new ATOM 560 N LYS A 39 1.706 -0.823 -6.263 1.00 0.00 N ATOM 561 CA LYS A 39 2.067 0.137 -7.299 1.00 0.00 C ATOM 562 C LYS A 39 2.324 1.515 -6.699 1.00 0.00 C ATOM 563 O LYS A 39 2.180 1.714 -5.493 1.00 0.00 O ATOM 564 CB LYS A 39 0.958 0.226 -8.350 1.00 0.00 C ATOM 565 CG LYS A 39 0.811 -1.034 -9.187 1.00 0.00 C ATOM 566 CD LYS A 39 1.811 -1.064 -10.330 1.00 0.00 C ATOM 567 CE LYS A 39 1.555 -2.237 -11.264 1.00 0.00 C ATOM 568 NZ LYS A 39 1.934 -3.535 -10.640 1.00 0.00 N ATOM 0 H LYS A 39 0.858 -0.587 -5.747 1.00 0.00 H new ATOM 0 HA LYS A 39 2.984 -0.209 -7.775 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.011 0.433 -7.851 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.161 1.069 -9.010 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.953 -1.910 -8.555 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.202 -1.090 -9.587 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.752 -0.131 -10.891 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.822 -1.131 -9.929 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.500 -2.260 -11.538 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.121 -2.098 -12.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.745 -4.310 -11.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.946 -3.523 -10.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.376 -3.680 -9.774 1.00 0.00 H new ATOM 582 N ALA A 40 2.705 2.464 -7.548 1.00 0.00 N ATOM 583 CA ALA A 40 2.978 3.824 -7.101 1.00 0.00 C ATOM 584 C ALA A 40 1.755 4.718 -7.281 1.00 0.00 C ATOM 585 O ALA A 40 1.118 4.734 -8.334 1.00 0.00 O ATOM 586 CB ALA A 40 4.169 4.398 -7.855 1.00 0.00 C ATOM 0 H ALA A 40 2.832 2.316 -8.549 1.00 0.00 H new ATOM 0 HA ALA A 40 3.217 3.789 -6.038 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.362 5.414 -7.511 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.048 3.780 -7.672 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.951 4.411 -8.923 1.00 0.00 H new ATOM 592 N PRO A 41 1.418 5.479 -6.229 1.00 0.00 N ATOM 593 CA PRO A 41 0.269 6.389 -6.247 1.00 0.00 C ATOM 594 C PRO A 41 0.490 7.585 -7.166 1.00 0.00 C ATOM 595 O PRO A 41 1.403 7.584 -7.993 1.00 0.00 O ATOM 596 CB PRO A 41 0.157 6.847 -4.791 1.00 0.00 C ATOM 597 CG PRO A 41 1.533 6.697 -4.240 1.00 0.00 C ATOM 598 CD PRO A 41 2.133 5.511 -4.942 1.00 0.00 C ATOM 0 HA PRO A 41 -0.630 5.903 -6.626 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.185 7.880 -4.726 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.559 6.239 -4.239 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.124 7.595 -4.417 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.507 6.540 -3.162 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.208 5.628 -5.082 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.984 4.591 -4.376 1.00 0.00 H new ATOM 606 N SER A 42 -0.350 8.604 -7.017 1.00 0.00 N ATOM 607 CA SER A 42 -0.247 9.806 -7.837 1.00 0.00 C ATOM 608 C SER A 42 0.724 10.806 -7.216 1.00 0.00 C ATOM 609 O SER A 42 0.446 11.389 -6.169 1.00 0.00 O ATOM 610 CB SER A 42 -1.623 10.452 -8.006 1.00 0.00 C ATOM 611 OG SER A 42 -1.691 11.199 -9.209 1.00 0.00 O ATOM 0 H SER A 42 -1.109 8.622 -6.336 1.00 0.00 H new ATOM 0 HA SER A 42 0.134 9.517 -8.816 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.393 9.680 -8.009 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.829 11.104 -7.157 1.00 0.00 H new ATOM 0 HG SER A 42 -2.581 11.601 -9.295 1.00 0.00 H new ATOM 617 N ASP A 43 1.864 10.997 -7.870 1.00 0.00 N ATOM 618 CA ASP A 43 2.877 11.927 -7.385 1.00 0.00 C ATOM 619 C ASP A 43 2.379 13.367 -7.471 1.00 0.00 C ATOM 620 O ASP A 43 2.407 13.981 -8.537 1.00 0.00 O ATOM 621 CB ASP A 43 4.169 11.772 -8.189 1.00 0.00 C ATOM 622 CG ASP A 43 4.018 12.240 -9.623 1.00 0.00 C ATOM 623 OD1 ASP A 43 3.321 11.554 -10.400 1.00 0.00 O ATOM 624 OD2 ASP A 43 4.597 13.291 -9.968 1.00 0.00 O ATOM 0 H ASP A 43 2.110 10.520 -8.738 1.00 0.00 H new ATOM 0 HA ASP A 43 3.079 11.693 -6.340 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.964 12.340 -7.706 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.475 10.726 -8.182 1.00 0.00 H new ATOM 629 N ASN A 44 1.924 13.898 -6.341 1.00 0.00 N ATOM 630 CA ASN A 44 1.418 15.265 -6.289 1.00 0.00 C ATOM 631 C ASN A 44 2.213 16.102 -5.290 1.00 0.00 C ATOM 632 O ASN A 44 2.289 15.769 -4.108 1.00 0.00 O ATOM 633 CB ASN A 44 -0.064 15.269 -5.909 1.00 0.00 C ATOM 634 CG ASN A 44 -0.299 14.778 -4.494 1.00 0.00 C ATOM 635 OD1 ASN A 44 -0.075 15.506 -3.527 1.00 0.00 O ATOM 636 ND2 ASN A 44 -0.754 13.536 -4.367 1.00 0.00 N ATOM 0 H ASN A 44 1.895 13.403 -5.450 1.00 0.00 H new ATOM 0 HA ASN A 44 1.533 15.706 -7.279 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.460 16.280 -6.010 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.617 14.639 -6.606 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.932 13.150 -3.440 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.926 12.968 -5.197 1.00 0.00 H new ATOM 643 N GLY A 45 2.803 17.190 -5.775 1.00 0.00 N ATOM 644 CA GLY A 45 3.583 18.058 -4.912 1.00 0.00 C ATOM 645 C GLY A 45 5.075 17.830 -5.058 1.00 0.00 C ATOM 646 O GLY A 45 5.786 18.670 -5.610 1.00 0.00 O ATOM 0 H GLY A 45 2.755 17.486 -6.750 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.353 19.098 -5.144 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.293 17.891 -3.875 1.00 0.00 H new ATOM 650 N SER A 46 5.550 16.693 -4.560 1.00 0.00 N ATOM 651 CA SER A 46 6.968 16.361 -4.632 1.00 0.00 C ATOM 652 C SER A 46 7.164 14.870 -4.889 1.00 0.00 C ATOM 653 O SER A 46 6.612 14.028 -4.181 1.00 0.00 O ATOM 654 CB SER A 46 7.675 16.764 -3.337 1.00 0.00 C ATOM 655 OG SER A 46 9.077 16.588 -3.445 1.00 0.00 O ATOM 0 H SER A 46 4.974 15.986 -4.102 1.00 0.00 H new ATOM 0 HA SER A 46 7.404 16.916 -5.463 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.453 17.806 -3.107 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.293 16.166 -2.509 1.00 0.00 H new ATOM 0 HG SER A 46 9.533 17.406 -3.156 1.00 0.00 H new ATOM 661 N LYS A 47 7.954 14.550 -5.909 1.00 0.00 N ATOM 662 CA LYS A 47 8.226 13.162 -6.261 1.00 0.00 C ATOM 663 C LYS A 47 8.423 12.312 -5.010 1.00 0.00 C ATOM 664 O LYS A 47 9.146 12.701 -4.092 1.00 0.00 O ATOM 665 CB LYS A 47 9.467 13.074 -7.152 1.00 0.00 C ATOM 666 CG LYS A 47 10.772 13.260 -6.397 1.00 0.00 C ATOM 667 CD LYS A 47 11.972 13.134 -7.320 1.00 0.00 C ATOM 668 CE LYS A 47 13.207 13.792 -6.722 1.00 0.00 C ATOM 669 NZ LYS A 47 14.463 13.252 -7.311 1.00 0.00 N ATOM 0 H LYS A 47 8.417 15.235 -6.507 1.00 0.00 H new ATOM 0 HA LYS A 47 7.366 12.777 -6.808 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.479 12.104 -7.649 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.398 13.831 -7.933 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.781 14.240 -5.919 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.843 12.517 -5.603 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.176 12.081 -7.511 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.743 13.594 -8.281 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.161 14.868 -6.888 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.215 13.636 -5.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.281 13.726 -6.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.519 12.229 -7.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.467 13.423 -8.337 1.00 0.00 H new ATOM 683 N ILE A 48 7.779 11.150 -4.982 1.00 0.00 N ATOM 684 CA ILE A 48 7.887 10.245 -3.844 1.00 0.00 C ATOM 685 C ILE A 48 9.302 9.691 -3.715 1.00 0.00 C ATOM 686 O ILE A 48 9.792 9.002 -4.609 1.00 0.00 O ATOM 687 CB ILE A 48 6.897 9.071 -3.963 1.00 0.00 C ATOM 688 CG1 ILE A 48 5.456 9.584 -3.921 1.00 0.00 C ATOM 689 CG2 ILE A 48 7.138 8.060 -2.852 1.00 0.00 C ATOM 690 CD1 ILE A 48 4.447 8.598 -4.466 1.00 0.00 C ATOM 0 H ILE A 48 7.177 10.813 -5.734 1.00 0.00 H new ATOM 0 HA ILE A 48 7.644 10.826 -2.954 1.00 0.00 H new ATOM 0 HB ILE A 48 7.058 8.575 -4.920 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.195 9.826 -2.891 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.392 10.510 -4.492 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.431 7.236 -2.950 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.155 7.675 -2.925 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.001 8.543 -1.885 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.448 9.029 -4.405 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.683 8.374 -5.506 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.483 7.680 -3.880 1.00 0.00 H new ATOM 702 N GLN A 49 9.951 9.996 -2.596 1.00 0.00 N ATOM 703 CA GLN A 49 11.309 9.527 -2.350 1.00 0.00 C ATOM 704 C GLN A 49 11.383 8.006 -2.431 1.00 0.00 C ATOM 705 O GLN A 49 12.051 7.454 -3.304 1.00 0.00 O ATOM 706 CB GLN A 49 11.794 10.001 -0.978 1.00 0.00 C ATOM 707 CG GLN A 49 11.917 11.512 -0.865 1.00 0.00 C ATOM 708 CD GLN A 49 12.619 11.947 0.407 1.00 0.00 C ATOM 709 OE1 GLN A 49 12.518 11.287 1.441 1.00 0.00 O ATOM 710 NE2 GLN A 49 13.336 13.062 0.336 1.00 0.00 N ATOM 0 H GLN A 49 9.559 10.565 -1.846 1.00 0.00 H new ATOM 0 HA GLN A 49 11.956 9.945 -3.121 1.00 0.00 H new ATOM 0 HB2 GLN A 49 11.104 9.643 -0.214 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.764 9.549 -0.769 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.465 11.894 -1.727 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.923 11.957 -0.897 1.00 0.00 H new ATOM 0 HE21 GLN A 49 13.392 13.577 -0.542 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.831 13.403 1.160 1.00 0.00 H new ATOM 719 N ASN A 50 10.693 7.335 -1.514 1.00 0.00 N ATOM 720 CA ASN A 50 10.682 5.877 -1.482 1.00 0.00 C ATOM 721 C ASN A 50 9.416 5.358 -0.806 1.00 0.00 C ATOM 722 O ASN A 50 8.668 6.122 -0.196 1.00 0.00 O ATOM 723 CB ASN A 50 11.918 5.353 -0.747 1.00 0.00 C ATOM 724 CG ASN A 50 12.373 6.287 0.357 1.00 0.00 C ATOM 725 OD1 ASN A 50 11.426 6.765 1.156 1.00 0.00 O flip ATOM 726 ND2 ASN A 50 13.563 6.575 0.491 1.00 0.00 N flip ATOM 0 H ASN A 50 10.135 7.777 -0.784 1.00 0.00 H new ATOM 0 HA ASN A 50 10.698 5.515 -2.510 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.697 4.374 -0.323 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.730 5.215 -1.460 1.00 0.00 H new ATOM 0 HD21 ASN A 50 14.257 6.184 -0.146 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.854 7.204 1.239 1.00 0.00 H new ATOM 733 N PHE A 51 9.184 4.055 -0.919 1.00 0.00 N ATOM 734 CA PHE A 51 8.009 3.433 -0.320 1.00 0.00 C ATOM 735 C PHE A 51 8.319 2.927 1.086 1.00 0.00 C ATOM 736 O PHE A 51 9.429 2.474 1.364 1.00 0.00 O ATOM 737 CB PHE A 51 7.517 2.276 -1.193 1.00 0.00 C ATOM 738 CG PHE A 51 6.896 2.723 -2.486 1.00 0.00 C ATOM 739 CD1 PHE A 51 5.658 3.346 -2.496 1.00 0.00 C ATOM 740 CD2 PHE A 51 7.551 2.522 -3.690 1.00 0.00 C ATOM 741 CE1 PHE A 51 5.085 3.757 -3.685 1.00 0.00 C ATOM 742 CE2 PHE A 51 6.982 2.931 -4.882 1.00 0.00 C ATOM 743 CZ PHE A 51 5.748 3.551 -4.878 1.00 0.00 C ATOM 0 H PHE A 51 9.794 3.409 -1.420 1.00 0.00 H new ATOM 0 HA PHE A 51 7.225 4.187 -0.252 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.355 1.614 -1.411 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.788 1.692 -0.631 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.136 3.512 -1.565 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.518 2.040 -3.698 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.119 4.239 -3.680 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.502 2.766 -5.814 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.302 3.874 -5.807 1.00 0.00 H new ATOM 753 N VAL A 52 7.329 3.009 1.969 1.00 0.00 N ATOM 754 CA VAL A 52 7.494 2.560 3.346 1.00 0.00 C ATOM 755 C VAL A 52 6.419 1.549 3.727 1.00 0.00 C ATOM 756 O VAL A 52 5.260 1.908 3.939 1.00 0.00 O ATOM 757 CB VAL A 52 7.444 3.742 4.332 1.00 0.00 C ATOM 758 CG1 VAL A 52 7.693 3.263 5.754 1.00 0.00 C ATOM 759 CG2 VAL A 52 8.452 4.810 3.935 1.00 0.00 C ATOM 0 H VAL A 52 6.404 3.382 1.755 1.00 0.00 H new ATOM 0 HA VAL A 52 8.473 2.086 3.409 1.00 0.00 H new ATOM 0 HB VAL A 52 6.448 4.183 4.293 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.654 4.112 6.436 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.928 2.538 6.033 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.676 2.795 5.813 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.403 5.638 4.643 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.455 4.384 3.943 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.221 5.174 2.934 1.00 0.00 H new ATOM 769 N LEU A 53 6.810 0.282 3.813 1.00 0.00 N ATOM 770 CA LEU A 53 5.879 -0.783 4.169 1.00 0.00 C ATOM 771 C LEU A 53 5.912 -1.056 5.670 1.00 0.00 C ATOM 772 O LEU A 53 6.897 -0.755 6.343 1.00 0.00 O ATOM 773 CB LEU A 53 6.217 -2.061 3.400 1.00 0.00 C ATOM 774 CG LEU A 53 5.430 -3.311 3.795 1.00 0.00 C ATOM 775 CD1 LEU A 53 3.995 -3.217 3.301 1.00 0.00 C ATOM 776 CD2 LEU A 53 6.104 -4.561 3.248 1.00 0.00 C ATOM 0 H LEU A 53 7.765 -0.033 3.641 1.00 0.00 H new ATOM 0 HA LEU A 53 4.874 -0.459 3.899 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.056 -1.875 2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.279 -2.269 3.530 1.00 0.00 H new ATOM 0 HG LEU A 53 5.414 -3.378 4.883 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.451 -4.116 3.592 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.515 -2.343 3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.989 -3.125 2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.530 -5.441 3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.152 -4.502 2.161 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.114 -4.636 3.652 1.00 0.00 H new ATOM 788 N GLU A 54 4.830 -1.630 6.186 1.00 0.00 N ATOM 789 CA GLU A 54 4.736 -1.944 7.607 1.00 0.00 C ATOM 790 C GLU A 54 3.819 -3.141 7.840 1.00 0.00 C ATOM 791 O GLU A 54 2.883 -3.377 7.076 1.00 0.00 O ATOM 792 CB GLU A 54 4.221 -0.733 8.387 1.00 0.00 C ATOM 793 CG GLU A 54 5.295 0.299 8.689 1.00 0.00 C ATOM 794 CD GLU A 54 4.743 1.530 9.381 1.00 0.00 C ATOM 795 OE1 GLU A 54 3.504 1.682 9.421 1.00 0.00 O ATOM 796 OE2 GLU A 54 5.550 2.340 9.883 1.00 0.00 O ATOM 0 H GLU A 54 4.007 -1.887 5.642 1.00 0.00 H new ATOM 0 HA GLU A 54 5.734 -2.198 7.963 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.422 -0.258 7.818 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.784 -1.075 9.325 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.062 -0.153 9.318 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.780 0.596 7.759 1.00 0.00 H new ATOM 803 N TRP A 55 4.095 -3.892 8.900 1.00 0.00 N ATOM 804 CA TRP A 55 3.296 -5.065 9.234 1.00 0.00 C ATOM 805 C TRP A 55 3.393 -5.384 10.722 1.00 0.00 C ATOM 806 O TRP A 55 4.381 -5.049 11.375 1.00 0.00 O ATOM 807 CB TRP A 55 3.753 -6.271 8.411 1.00 0.00 C ATOM 808 CG TRP A 55 5.032 -6.877 8.904 1.00 0.00 C ATOM 809 CD1 TRP A 55 6.117 -6.211 9.399 1.00 0.00 C ATOM 810 CD2 TRP A 55 5.358 -8.270 8.949 1.00 0.00 C ATOM 811 NE1 TRP A 55 7.099 -7.107 9.748 1.00 0.00 N ATOM 812 CE2 TRP A 55 6.658 -8.376 9.483 1.00 0.00 C ATOM 813 CE3 TRP A 55 4.680 -9.438 8.592 1.00 0.00 C ATOM 814 CZ2 TRP A 55 7.289 -9.604 9.666 1.00 0.00 C ATOM 815 CZ3 TRP A 55 5.307 -10.656 8.774 1.00 0.00 C ATOM 816 CH2 TRP A 55 6.601 -10.731 9.308 1.00 0.00 C ATOM 0 H TRP A 55 4.866 -3.710 9.543 1.00 0.00 H new ATOM 0 HA TRP A 55 2.256 -4.844 8.995 1.00 0.00 H new ATOM 0 HB2 TRP A 55 2.970 -7.030 8.426 1.00 0.00 H new ATOM 0 HB3 TRP A 55 3.881 -5.966 7.372 1.00 0.00 H new ATOM 0 HD1 TRP A 55 6.192 -5.138 9.501 1.00 0.00 H new ATOM 0 HE1 TRP A 55 8.009 -6.866 10.141 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.683 -9.390 8.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.286 -9.664 10.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 4.792 -11.565 8.500 1.00 0.00 H new ATOM 0 HH2 TRP A 55 7.064 -11.698 9.439 1.00 0.00 H new ATOM 827 N ASP A 56 2.362 -6.033 11.252 1.00 0.00 N ATOM 828 CA ASP A 56 2.332 -6.398 12.663 1.00 0.00 C ATOM 829 C ASP A 56 3.058 -7.719 12.898 1.00 0.00 C ATOM 830 O ASP A 56 2.656 -8.516 13.746 1.00 0.00 O ATOM 831 CB ASP A 56 0.887 -6.502 13.155 1.00 0.00 C ATOM 832 CG ASP A 56 0.227 -7.802 12.742 1.00 0.00 C ATOM 833 OD1 ASP A 56 0.539 -8.304 11.642 1.00 0.00 O ATOM 834 OD2 ASP A 56 -0.602 -8.319 13.521 1.00 0.00 O ATOM 0 H ASP A 56 1.536 -6.317 10.725 1.00 0.00 H new ATOM 0 HA ASP A 56 2.844 -5.617 13.225 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.869 -6.418 14.242 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.311 -5.664 12.761 1.00 0.00 H new ATOM 839 N GLU A 57 4.127 -7.944 12.141 1.00 0.00 N ATOM 840 CA GLU A 57 4.907 -9.170 12.266 1.00 0.00 C ATOM 841 C GLU A 57 4.001 -10.365 12.551 1.00 0.00 C ATOM 842 O GLU A 57 4.355 -11.256 13.322 1.00 0.00 O ATOM 843 CB GLU A 57 5.947 -9.028 13.380 1.00 0.00 C ATOM 844 CG GLU A 57 7.278 -8.472 12.902 1.00 0.00 C ATOM 845 CD GLU A 57 8.406 -8.738 13.880 1.00 0.00 C ATOM 846 OE1 GLU A 57 8.913 -9.879 13.906 1.00 0.00 O ATOM 847 OE2 GLU A 57 8.781 -7.804 14.619 1.00 0.00 O ATOM 0 H GLU A 57 4.473 -7.294 11.435 1.00 0.00 H new ATOM 0 HA GLU A 57 5.420 -9.342 11.320 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.548 -8.376 14.157 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.113 -10.004 13.837 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.527 -8.914 11.937 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.184 -7.397 12.745 1.00 0.00 H new ATOM 854 N GLY A 58 2.829 -10.374 11.923 1.00 0.00 N ATOM 855 CA GLY A 58 1.890 -11.463 12.122 1.00 0.00 C ATOM 856 C GLY A 58 1.850 -11.938 13.561 1.00 0.00 C ATOM 857 O GLY A 58 1.938 -13.136 13.830 1.00 0.00 O ATOM 0 H GLY A 58 2.513 -9.647 11.281 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.894 -11.139 11.822 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.163 -12.297 11.475 1.00 0.00 H new ATOM 861 N LYS A 59 1.717 -10.997 14.490 1.00 0.00 N ATOM 862 CA LYS A 59 1.666 -11.325 15.910 1.00 0.00 C ATOM 863 C LYS A 59 0.229 -11.302 16.422 1.00 0.00 C ATOM 864 O LYS A 59 -0.211 -12.224 17.108 1.00 0.00 O ATOM 865 CB LYS A 59 2.520 -10.341 16.712 1.00 0.00 C ATOM 866 CG LYS A 59 4.012 -10.605 16.606 1.00 0.00 C ATOM 867 CD LYS A 59 4.812 -9.639 17.464 1.00 0.00 C ATOM 868 CE LYS A 59 6.301 -9.730 17.167 1.00 0.00 C ATOM 869 NZ LYS A 59 7.035 -8.523 17.637 1.00 0.00 N ATOM 0 H LYS A 59 1.643 -10.001 14.285 1.00 0.00 H new ATOM 0 HA LYS A 59 2.063 -12.332 16.040 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.313 -9.328 16.367 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.225 -10.387 17.760 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.224 -11.629 16.915 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.325 -10.514 15.566 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.466 -8.621 17.286 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.636 -9.856 18.518 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.714 -10.616 17.649 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.451 -9.851 16.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.046 -8.624 17.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.659 -7.680 17.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.914 -8.421 18.665 1.00 0.00 H new ATOM 883 N GLY A 60 -0.499 -10.242 16.083 1.00 0.00 N ATOM 884 CA GLY A 60 -1.878 -10.120 16.516 1.00 0.00 C ATOM 885 C GLY A 60 -2.028 -9.221 17.727 1.00 0.00 C ATOM 886 O GLY A 60 -2.841 -9.489 18.610 1.00 0.00 O ATOM 0 H GLY A 60 -0.158 -9.466 15.516 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.479 -9.725 15.697 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.271 -11.109 16.751 1.00 0.00 H new ATOM 890 N ASN A 61 -1.240 -8.152 17.770 1.00 0.00 N ATOM 891 CA ASN A 61 -1.288 -7.211 18.884 1.00 0.00 C ATOM 892 C ASN A 61 -1.770 -5.841 18.419 1.00 0.00 C ATOM 893 O ASN A 61 -2.592 -5.205 19.076 1.00 0.00 O ATOM 894 CB ASN A 61 0.093 -7.086 19.532 1.00 0.00 C ATOM 895 CG ASN A 61 1.023 -6.187 18.740 1.00 0.00 C ATOM 896 OD1 ASN A 61 1.204 -5.015 19.073 1.00 0.00 O ATOM 897 ND2 ASN A 61 1.618 -6.732 17.686 1.00 0.00 N ATOM 0 H ASN A 61 -0.561 -7.915 17.047 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.995 -7.594 19.620 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.017 -6.691 20.542 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.540 -8.076 19.624 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.254 -6.176 17.115 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.439 -7.707 17.447 1.00 0.00 H new ATOM 904 N GLY A 62 -1.252 -5.392 17.279 1.00 0.00 N ATOM 905 CA GLY A 62 -1.642 -4.101 16.745 1.00 0.00 C ATOM 906 C GLY A 62 -0.487 -3.120 16.699 1.00 0.00 C ATOM 907 O GLY A 62 -0.681 -1.916 16.867 1.00 0.00 O ATOM 0 H GLY A 62 -0.569 -5.900 16.716 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.043 -4.233 15.740 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.443 -3.686 17.356 1.00 0.00 H new ATOM 911 N GLU A 63 0.717 -3.636 16.472 1.00 0.00 N ATOM 912 CA GLU A 63 1.907 -2.796 16.408 1.00 0.00 C ATOM 913 C GLU A 63 2.562 -2.885 15.032 1.00 0.00 C ATOM 914 O GLU A 63 3.138 -3.912 14.672 1.00 0.00 O ATOM 915 CB GLU A 63 2.908 -3.208 17.489 1.00 0.00 C ATOM 916 CG GLU A 63 2.721 -2.472 18.805 1.00 0.00 C ATOM 917 CD GLU A 63 3.985 -2.440 19.641 1.00 0.00 C ATOM 918 OE1 GLU A 63 4.515 -3.525 19.958 1.00 0.00 O ATOM 919 OE2 GLU A 63 4.445 -1.328 19.978 1.00 0.00 O ATOM 0 H GLU A 63 0.894 -4.630 16.330 1.00 0.00 H new ATOM 0 HA GLU A 63 1.602 -1.764 16.580 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.818 -4.280 17.666 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.919 -3.029 17.123 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.398 -1.451 18.603 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.925 -2.951 19.375 1.00 0.00 H new ATOM 926 N PHE A 64 2.469 -1.802 14.268 1.00 0.00 N ATOM 927 CA PHE A 64 3.050 -1.757 12.931 1.00 0.00 C ATOM 928 C PHE A 64 4.439 -1.125 12.963 1.00 0.00 C ATOM 929 O PHE A 64 4.628 -0.046 13.524 1.00 0.00 O ATOM 930 CB PHE A 64 2.142 -0.971 11.983 1.00 0.00 C ATOM 931 CG PHE A 64 0.866 -1.688 11.643 1.00 0.00 C ATOM 932 CD1 PHE A 64 0.804 -2.538 10.550 1.00 0.00 C ATOM 933 CD2 PHE A 64 -0.270 -1.513 12.416 1.00 0.00 C ATOM 934 CE1 PHE A 64 -0.368 -3.200 10.235 1.00 0.00 C ATOM 935 CE2 PHE A 64 -1.444 -2.172 12.106 1.00 0.00 C ATOM 936 CZ PHE A 64 -1.494 -3.016 11.013 1.00 0.00 C ATOM 0 H PHE A 64 1.997 -0.944 14.552 1.00 0.00 H new ATOM 0 HA PHE A 64 3.143 -2.781 12.568 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.900 -0.011 12.438 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.687 -0.759 11.063 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.681 -2.685 9.937 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.238 -0.854 13.271 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.403 -3.860 9.381 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.322 -2.028 12.718 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.411 -3.530 10.768 1.00 0.00 H new ATOM 946 N CYS A 65 5.405 -1.806 12.358 1.00 0.00 N ATOM 947 CA CYS A 65 6.778 -1.313 12.317 1.00 0.00 C ATOM 948 C CYS A 65 7.348 -1.408 10.906 1.00 0.00 C ATOM 949 O CYS A 65 6.831 -2.144 10.066 1.00 0.00 O ATOM 950 CB CYS A 65 7.654 -2.104 13.289 1.00 0.00 C ATOM 951 SG CYS A 65 7.574 -1.520 14.998 1.00 0.00 S ATOM 0 H CYS A 65 5.264 -2.701 11.889 1.00 0.00 H new ATOM 0 HA CYS A 65 6.771 -0.265 12.616 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.355 -3.152 13.260 1.00 0.00 H new ATOM 0 HB3 CYS A 65 8.689 -2.058 12.949 1.00 0.00 H new ATOM 0 HG CYS A 65 8.346 -2.253 15.744 1.00 0.00 H new ATOM 957 N GLN A 66 8.415 -0.658 10.653 1.00 0.00 N ATOM 958 CA GLN A 66 9.054 -0.656 9.342 1.00 0.00 C ATOM 959 C GLN A 66 9.558 -2.049 8.980 1.00 0.00 C ATOM 960 O GLN A 66 10.274 -2.683 9.757 1.00 0.00 O ATOM 961 CB GLN A 66 10.214 0.341 9.318 1.00 0.00 C ATOM 962 CG GLN A 66 10.766 0.598 7.925 1.00 0.00 C ATOM 963 CD GLN A 66 11.917 1.585 7.927 1.00 0.00 C ATOM 964 OE1 GLN A 66 13.074 1.208 7.738 1.00 0.00 O ATOM 965 NE2 GLN A 66 11.605 2.858 8.141 1.00 0.00 N ATOM 0 H GLN A 66 8.855 -0.044 11.338 1.00 0.00 H new ATOM 0 HA GLN A 66 8.310 -0.355 8.604 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.879 1.285 9.747 1.00 0.00 H new ATOM 0 HB3 GLN A 66 11.016 -0.032 9.955 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.101 -0.344 7.491 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.968 0.977 7.286 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.633 3.126 8.293 1.00 0.00 H new ATOM 0 HE22 GLN A 66 12.338 3.568 8.153 1.00 0.00 H new ATOM 974 N CYS A 67 9.179 -2.521 7.797 1.00 0.00 N ATOM 975 CA CYS A 67 9.591 -3.841 7.333 1.00 0.00 C ATOM 976 C CYS A 67 10.367 -3.738 6.024 1.00 0.00 C ATOM 977 O CYS A 67 11.412 -4.368 5.859 1.00 0.00 O ATOM 978 CB CYS A 67 8.370 -4.743 7.147 1.00 0.00 C ATOM 979 SG CYS A 67 8.703 -6.500 7.418 1.00 0.00 S ATOM 0 H CYS A 67 8.587 -2.009 7.142 1.00 0.00 H new ATOM 0 HA CYS A 67 10.244 -4.278 8.088 1.00 0.00 H new ATOM 0 HB2 CYS A 67 7.587 -4.422 7.834 1.00 0.00 H new ATOM 0 HB3 CYS A 67 7.983 -4.609 6.137 1.00 0.00 H new ATOM 0 HG CYS A 67 7.876 -6.966 8.306 1.00 0.00 H new ATOM 985 N TYR A 68 9.848 -2.942 5.095 1.00 0.00 N ATOM 986 CA TYR A 68 10.490 -2.761 3.799 1.00 0.00 C ATOM 987 C TYR A 68 10.444 -1.298 3.369 1.00 0.00 C ATOM 988 O TYR A 68 9.375 -0.690 3.307 1.00 0.00 O ATOM 989 CB TYR A 68 9.812 -3.636 2.743 1.00 0.00 C ATOM 990 CG TYR A 68 10.544 -3.667 1.421 1.00 0.00 C ATOM 991 CD1 TYR A 68 10.318 -2.693 0.456 1.00 0.00 C ATOM 992 CD2 TYR A 68 11.463 -4.670 1.137 1.00 0.00 C ATOM 993 CE1 TYR A 68 10.985 -2.718 -0.754 1.00 0.00 C ATOM 994 CE2 TYR A 68 12.135 -4.702 -0.069 1.00 0.00 C ATOM 995 CZ TYR A 68 11.892 -3.724 -1.012 1.00 0.00 C ATOM 996 OH TYR A 68 12.559 -3.752 -2.215 1.00 0.00 O ATOM 0 H TYR A 68 8.985 -2.412 5.216 1.00 0.00 H new ATOM 0 HA TYR A 68 11.534 -3.061 3.894 1.00 0.00 H new ATOM 0 HB2 TYR A 68 9.728 -4.653 3.126 1.00 0.00 H new ATOM 0 HB3 TYR A 68 8.798 -3.272 2.579 1.00 0.00 H new ATOM 0 HD1 TYR A 68 9.609 -1.903 0.655 1.00 0.00 H new ATOM 0 HD2 TYR A 68 11.655 -5.438 1.872 1.00 0.00 H new ATOM 0 HE1 TYR A 68 10.797 -1.954 -1.494 1.00 0.00 H new ATOM 0 HE2 TYR A 68 12.847 -5.488 -0.273 1.00 0.00 H new ATOM 0 HH TYR A 68 13.200 -3.011 -2.251 1.00 0.00 H new ATOM 1006 N MET A 69 11.612 -0.738 3.071 1.00 0.00 N ATOM 1007 CA MET A 69 11.706 0.653 2.644 1.00 0.00 C ATOM 1008 C MET A 69 12.707 0.805 1.503 1.00 0.00 C ATOM 1009 O MET A 69 13.909 0.623 1.690 1.00 0.00 O ATOM 1010 CB MET A 69 12.117 1.543 3.820 1.00 0.00 C ATOM 1011 CG MET A 69 12.286 3.006 3.444 1.00 0.00 C ATOM 1012 SD MET A 69 12.503 4.071 4.882 1.00 0.00 S ATOM 1013 CE MET A 69 12.700 5.668 4.094 1.00 0.00 C ATOM 0 H MET A 69 12.506 -1.226 3.117 1.00 0.00 H new ATOM 0 HA MET A 69 10.724 0.965 2.287 1.00 0.00 H new ATOM 0 HB2 MET A 69 11.366 1.463 4.606 1.00 0.00 H new ATOM 0 HB3 MET A 69 13.054 1.172 4.236 1.00 0.00 H new ATOM 0 HG2 MET A 69 13.148 3.111 2.786 1.00 0.00 H new ATOM 0 HG3 MET A 69 11.413 3.336 2.881 1.00 0.00 H new ATOM 0 HE1 MET A 69 12.897 6.426 4.852 1.00 0.00 H new ATOM 0 HE2 MET A 69 13.535 5.628 3.395 1.00 0.00 H new ATOM 0 HE3 MET A 69 11.787 5.923 3.555 1.00 0.00 H new ATOM 1023 N GLY A 70 12.202 1.140 0.320 1.00 0.00 N ATOM 1024 CA GLY A 70 13.065 1.311 -0.834 1.00 0.00 C ATOM 1025 C GLY A 70 12.294 1.679 -2.086 1.00 0.00 C ATOM 1026 O GLY A 70 11.096 1.954 -2.027 1.00 0.00 O ATOM 0 H GLY A 70 11.210 1.296 0.140 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.800 2.088 -0.622 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.618 0.388 -1.010 1.00 0.00 H new ATOM 1030 N SER A 71 12.983 1.686 -3.223 1.00 0.00 N ATOM 1031 CA SER A 71 12.356 2.029 -4.494 1.00 0.00 C ATOM 1032 C SER A 71 11.411 0.921 -4.950 1.00 0.00 C ATOM 1033 O SER A 71 10.244 1.172 -5.250 1.00 0.00 O ATOM 1034 CB SER A 71 13.423 2.276 -5.563 1.00 0.00 C ATOM 1035 OG SER A 71 12.846 2.789 -6.751 1.00 0.00 O ATOM 0 H SER A 71 13.975 1.458 -3.290 1.00 0.00 H new ATOM 0 HA SER A 71 11.777 2.941 -4.351 1.00 0.00 H new ATOM 0 HB2 SER A 71 14.166 2.977 -5.184 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.946 1.345 -5.782 1.00 0.00 H new ATOM 0 HG SER A 71 13.549 2.940 -7.417 1.00 0.00 H new ATOM 1041 N GLN A 72 11.925 -0.303 -5.000 1.00 0.00 N ATOM 1042 CA GLN A 72 11.127 -1.449 -5.420 1.00 0.00 C ATOM 1043 C GLN A 72 9.749 -1.423 -4.767 1.00 0.00 C ATOM 1044 O GLN A 72 9.536 -0.731 -3.770 1.00 0.00 O ATOM 1045 CB GLN A 72 11.846 -2.754 -5.069 1.00 0.00 C ATOM 1046 CG GLN A 72 12.768 -3.255 -6.169 1.00 0.00 C ATOM 1047 CD GLN A 72 12.011 -3.874 -7.328 1.00 0.00 C ATOM 1048 OE1 GLN A 72 11.772 -5.082 -7.353 1.00 0.00 O ATOM 1049 NE2 GLN A 72 11.629 -3.048 -8.295 1.00 0.00 N ATOM 0 H GLN A 72 12.890 -0.527 -4.755 1.00 0.00 H new ATOM 0 HA GLN A 72 10.997 -1.392 -6.501 1.00 0.00 H new ATOM 0 HB2 GLN A 72 12.427 -2.606 -4.159 1.00 0.00 H new ATOM 0 HB3 GLN A 72 11.103 -3.521 -4.851 1.00 0.00 H new ATOM 0 HG2 GLN A 72 13.373 -2.426 -6.536 1.00 0.00 H new ATOM 0 HG3 GLN A 72 13.456 -3.992 -5.754 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.849 -2.054 -8.233 1.00 0.00 H new ATOM 0 HE22 GLN A 72 11.116 -3.408 -9.100 1.00 0.00 H new ATOM 1058 N LYS A 73 8.816 -2.179 -5.334 1.00 0.00 N ATOM 1059 CA LYS A 73 7.458 -2.244 -4.807 1.00 0.00 C ATOM 1060 C LYS A 73 7.061 -3.685 -4.503 1.00 0.00 C ATOM 1061 O LYS A 73 5.882 -3.986 -4.318 1.00 0.00 O ATOM 1062 CB LYS A 73 6.473 -1.632 -5.805 1.00 0.00 C ATOM 1063 CG LYS A 73 6.603 -0.125 -5.942 1.00 0.00 C ATOM 1064 CD LYS A 73 5.852 0.392 -7.158 1.00 0.00 C ATOM 1065 CE LYS A 73 6.648 0.182 -8.437 1.00 0.00 C ATOM 1066 NZ LYS A 73 5.810 0.384 -9.651 1.00 0.00 N ATOM 0 H LYS A 73 8.975 -2.756 -6.160 1.00 0.00 H new ATOM 0 HA LYS A 73 7.427 -1.674 -3.879 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.626 -2.092 -6.782 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.457 -1.874 -5.494 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.218 0.357 -5.044 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.656 0.144 -6.022 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.892 -0.118 -7.238 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.639 1.453 -7.031 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.490 0.873 -8.458 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.063 -0.826 -8.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.389 0.232 -10.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.020 -0.293 -9.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.435 1.354 -9.656 1.00 0.00 H new ATOM 1080 N GLN A 74 8.052 -4.569 -4.451 1.00 0.00 N ATOM 1081 CA GLN A 74 7.804 -5.978 -4.168 1.00 0.00 C ATOM 1082 C GLN A 74 8.746 -6.489 -3.083 1.00 0.00 C ATOM 1083 O GLN A 74 9.962 -6.325 -3.175 1.00 0.00 O ATOM 1084 CB GLN A 74 7.971 -6.812 -5.439 1.00 0.00 C ATOM 1085 CG GLN A 74 8.172 -8.295 -5.172 1.00 0.00 C ATOM 1086 CD GLN A 74 9.604 -8.634 -4.808 1.00 0.00 C ATOM 1087 OE1 GLN A 74 10.548 -8.072 -5.364 1.00 0.00 O ATOM 1088 NE2 GLN A 74 9.774 -9.556 -3.868 1.00 0.00 N ATOM 0 H GLN A 74 9.033 -4.335 -4.601 1.00 0.00 H new ATOM 0 HA GLN A 74 6.779 -6.076 -3.810 1.00 0.00 H new ATOM 0 HB2 GLN A 74 7.090 -6.681 -6.068 1.00 0.00 H new ATOM 0 HB3 GLN A 74 8.824 -6.434 -6.002 1.00 0.00 H new ATOM 0 HG2 GLN A 74 7.512 -8.607 -4.363 1.00 0.00 H new ATOM 0 HG3 GLN A 74 7.882 -8.862 -6.057 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.963 -9.997 -3.433 1.00 0.00 H new ATOM 0 HE22 GLN A 74 10.715 -9.824 -3.581 1.00 0.00 H new ATOM 1097 N PHE A 75 8.175 -7.108 -2.055 1.00 0.00 N ATOM 1098 CA PHE A 75 8.963 -7.642 -0.950 1.00 0.00 C ATOM 1099 C PHE A 75 8.380 -8.961 -0.454 1.00 0.00 C ATOM 1100 O PHE A 75 7.174 -9.078 -0.236 1.00 0.00 O ATOM 1101 CB PHE A 75 9.021 -6.632 0.198 1.00 0.00 C ATOM 1102 CG PHE A 75 9.601 -7.196 1.463 1.00 0.00 C ATOM 1103 CD1 PHE A 75 10.878 -7.736 1.475 1.00 0.00 C ATOM 1104 CD2 PHE A 75 8.872 -7.186 2.641 1.00 0.00 C ATOM 1105 CE1 PHE A 75 11.414 -8.256 2.638 1.00 0.00 C ATOM 1106 CE2 PHE A 75 9.403 -7.704 3.807 1.00 0.00 C ATOM 1107 CZ PHE A 75 10.676 -8.239 3.805 1.00 0.00 C ATOM 0 H PHE A 75 7.169 -7.252 -1.964 1.00 0.00 H new ATOM 0 HA PHE A 75 9.974 -7.826 -1.313 1.00 0.00 H new ATOM 0 HB2 PHE A 75 9.616 -5.773 -0.114 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.014 -6.266 0.401 1.00 0.00 H new ATOM 0 HD1 PHE A 75 11.460 -7.750 0.566 1.00 0.00 H new ATOM 0 HD2 PHE A 75 7.876 -6.768 2.648 1.00 0.00 H new ATOM 0 HE1 PHE A 75 12.409 -8.675 2.634 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.823 -7.690 4.718 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.094 -8.644 4.715 1.00 0.00 H new ATOM 1117 N LYS A 76 9.245 -9.954 -0.278 1.00 0.00 N ATOM 1118 CA LYS A 76 8.819 -11.267 0.193 1.00 0.00 C ATOM 1119 C LYS A 76 9.323 -11.527 1.609 1.00 0.00 C ATOM 1120 O LYS A 76 10.530 -11.541 1.855 1.00 0.00 O ATOM 1121 CB LYS A 76 9.328 -12.360 -0.749 1.00 0.00 C ATOM 1122 CG LYS A 76 8.807 -13.746 -0.410 1.00 0.00 C ATOM 1123 CD LYS A 76 9.652 -14.832 -1.055 1.00 0.00 C ATOM 1124 CE LYS A 76 9.655 -16.104 -0.221 1.00 0.00 C ATOM 1125 NZ LYS A 76 10.743 -17.034 -0.633 1.00 0.00 N ATOM 0 H LYS A 76 10.246 -9.875 -0.455 1.00 0.00 H new ATOM 0 HA LYS A 76 7.729 -11.285 0.205 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.038 -12.112 -1.770 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.418 -12.374 -0.721 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.804 -13.880 0.672 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.774 -13.840 -0.746 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.268 -15.050 -2.052 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.674 -14.474 -1.179 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.775 -15.848 0.832 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.692 -16.605 -0.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.712 -17.889 -0.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.614 -17.299 -1.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.664 -16.565 -0.515 1.00 0.00 H new ATOM 1139 N ILE A 77 8.393 -11.732 2.535 1.00 0.00 N ATOM 1140 CA ILE A 77 8.744 -11.994 3.925 1.00 0.00 C ATOM 1141 C ILE A 77 8.897 -13.490 4.181 1.00 0.00 C ATOM 1142 O ILE A 77 7.957 -14.263 3.991 1.00 0.00 O ATOM 1143 CB ILE A 77 7.687 -11.425 4.890 1.00 0.00 C ATOM 1144 CG1 ILE A 77 7.645 -9.899 4.793 1.00 0.00 C ATOM 1145 CG2 ILE A 77 7.982 -11.862 6.317 1.00 0.00 C ATOM 1146 CD1 ILE A 77 6.281 -9.312 5.078 1.00 0.00 C ATOM 0 H ILE A 77 7.390 -11.722 2.348 1.00 0.00 H new ATOM 0 HA ILE A 77 9.697 -11.497 4.109 1.00 0.00 H new ATOM 0 HB ILE A 77 6.710 -11.816 4.606 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.366 -9.479 5.494 1.00 0.00 H new ATOM 0 HG13 ILE A 77 7.959 -9.598 3.794 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.226 -11.452 6.987 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.966 -12.950 6.375 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.966 -11.497 6.613 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.327 -8.226 4.991 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.559 -9.704 4.361 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.972 -9.582 6.088 1.00 0.00 H new ATOM 1158 N THR A 78 10.087 -13.892 4.617 1.00 0.00 N ATOM 1159 CA THR A 78 10.363 -15.295 4.900 1.00 0.00 C ATOM 1160 C THR A 78 10.425 -15.551 6.401 1.00 0.00 C ATOM 1161 O THR A 78 10.265 -14.632 7.205 1.00 0.00 O ATOM 1162 CB THR A 78 11.688 -15.747 4.258 1.00 0.00 C ATOM 1163 OG1 THR A 78 12.706 -14.768 4.495 1.00 0.00 O ATOM 1164 CG2 THR A 78 11.520 -15.960 2.762 1.00 0.00 C ATOM 0 H THR A 78 10.875 -13.266 4.782 1.00 0.00 H new ATOM 0 HA THR A 78 9.544 -15.872 4.470 1.00 0.00 H new ATOM 0 HB THR A 78 11.982 -16.693 4.712 1.00 0.00 H new ATOM 0 HG1 THR A 78 13.546 -15.063 4.085 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.469 -16.279 2.331 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.766 -16.727 2.586 1.00 0.00 H new ATOM 0 HG23 THR A 78 11.205 -15.027 2.295 1.00 0.00 H new ATOM 1172 N LYS A 79 10.658 -16.805 6.774 1.00 0.00 N ATOM 1173 CA LYS A 79 10.743 -17.182 8.180 1.00 0.00 C ATOM 1174 C LYS A 79 9.395 -17.012 8.872 1.00 0.00 C ATOM 1175 O LYS A 79 9.322 -16.526 10.001 1.00 0.00 O ATOM 1176 CB LYS A 79 11.804 -16.340 8.892 1.00 0.00 C ATOM 1177 CG LYS A 79 13.153 -16.344 8.194 1.00 0.00 C ATOM 1178 CD LYS A 79 13.985 -17.550 8.596 1.00 0.00 C ATOM 1179 CE LYS A 79 15.474 -17.243 8.541 1.00 0.00 C ATOM 1180 NZ LYS A 79 15.966 -16.648 9.815 1.00 0.00 N ATOM 0 H LYS A 79 10.791 -17.578 6.122 1.00 0.00 H new ATOM 0 HA LYS A 79 11.027 -18.233 8.232 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.448 -15.313 8.970 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.929 -16.712 9.909 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.005 -16.347 7.114 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.693 -15.430 8.439 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.713 -17.861 9.605 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.760 -18.386 7.934 1.00 0.00 H new ATOM 0 HE2 LYS A 79 16.026 -18.159 8.331 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.673 -16.556 7.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.985 -16.454 9.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.457 -15.760 10.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.800 -17.314 10.596 1.00 0.00 H new ATOM 1194 N LEU A 80 8.329 -17.415 8.189 1.00 0.00 N ATOM 1195 CA LEU A 80 6.982 -17.309 8.738 1.00 0.00 C ATOM 1196 C LEU A 80 6.370 -18.690 8.951 1.00 0.00 C ATOM 1197 O LEU A 80 7.012 -19.710 8.700 1.00 0.00 O ATOM 1198 CB LEU A 80 6.094 -16.482 7.807 1.00 0.00 C ATOM 1199 CG LEU A 80 6.624 -15.099 7.428 1.00 0.00 C ATOM 1200 CD1 LEU A 80 5.735 -14.458 6.372 1.00 0.00 C ATOM 1201 CD2 LEU A 80 6.719 -14.209 8.658 1.00 0.00 C ATOM 0 H LEU A 80 8.372 -17.819 7.253 1.00 0.00 H new ATOM 0 HA LEU A 80 7.049 -16.809 9.704 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.933 -17.051 6.891 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.120 -16.359 8.281 1.00 0.00 H new ATOM 0 HG LEU A 80 7.624 -15.216 7.010 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.127 -13.474 6.114 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.717 -15.086 5.481 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.723 -14.354 6.763 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.098 -13.229 8.369 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.731 -14.099 9.105 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.396 -14.661 9.383 1.00 0.00 H new ATOM 1213 N SER A 81 5.124 -18.714 9.412 1.00 0.00 N ATOM 1214 CA SER A 81 4.425 -19.970 9.659 1.00 0.00 C ATOM 1215 C SER A 81 3.029 -19.946 9.043 1.00 0.00 C ATOM 1216 O SER A 81 2.419 -18.891 8.866 1.00 0.00 O ATOM 1217 CB SER A 81 4.326 -20.236 11.162 1.00 0.00 C ATOM 1218 OG SER A 81 5.611 -20.404 11.736 1.00 0.00 O ATOM 0 H SER A 81 4.578 -17.879 9.622 1.00 0.00 H new ATOM 0 HA SER A 81 4.996 -20.772 9.192 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.813 -19.406 11.648 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.726 -21.129 11.338 1.00 0.00 H new ATOM 0 HG SER A 81 5.521 -20.571 12.697 1.00 0.00 H new ATOM 1224 N PRO A 82 2.511 -21.136 8.706 1.00 0.00 N ATOM 1225 CA PRO A 82 1.182 -21.279 8.104 1.00 0.00 C ATOM 1226 C PRO A 82 0.062 -20.960 9.089 1.00 0.00 C ATOM 1227 O PRO A 82 0.190 -21.204 10.289 1.00 0.00 O ATOM 1228 CB PRO A 82 1.133 -22.754 7.699 1.00 0.00 C ATOM 1229 CG PRO A 82 2.090 -23.432 8.618 1.00 0.00 C ATOM 1230 CD PRO A 82 3.183 -22.434 8.887 1.00 0.00 C ATOM 0 HA PRO A 82 1.035 -20.589 7.273 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.127 -23.160 7.805 1.00 0.00 H new ATOM 0 HB3 PRO A 82 1.423 -22.888 6.657 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.598 -23.730 9.543 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.492 -24.338 8.164 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.586 -22.541 9.894 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.017 -22.555 8.195 1.00 0.00 H new ATOM 1238 N ALA A 83 -1.035 -20.415 8.575 1.00 0.00 N ATOM 1239 CA ALA A 83 -2.178 -20.066 9.409 1.00 0.00 C ATOM 1240 C ALA A 83 -1.842 -18.909 10.344 1.00 0.00 C ATOM 1241 O ALA A 83 -2.348 -18.836 11.463 1.00 0.00 O ATOM 1242 CB ALA A 83 -2.638 -21.276 10.208 1.00 0.00 C ATOM 0 H ALA A 83 -1.156 -20.205 7.584 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.989 -19.747 8.755 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.492 -21.000 10.826 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.927 -22.075 9.525 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.825 -21.621 10.846 1.00 0.00 H new ATOM 1248 N MET A 84 -0.984 -18.007 9.877 1.00 0.00 N ATOM 1249 CA MET A 84 -0.581 -16.853 10.673 1.00 0.00 C ATOM 1250 C MET A 84 -1.143 -15.563 10.083 1.00 0.00 C ATOM 1251 O MET A 84 -0.639 -15.056 9.082 1.00 0.00 O ATOM 1252 CB MET A 84 0.944 -16.769 10.752 1.00 0.00 C ATOM 1253 CG MET A 84 1.449 -15.513 11.444 1.00 0.00 C ATOM 1254 SD MET A 84 3.232 -15.299 11.281 1.00 0.00 S ATOM 1255 CE MET A 84 3.306 -14.047 10.002 1.00 0.00 C ATOM 0 H MET A 84 -0.555 -18.053 8.953 1.00 0.00 H new ATOM 0 HA MET A 84 -0.983 -16.978 11.678 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.321 -17.643 11.283 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.355 -16.808 9.743 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.943 -14.643 11.025 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.187 -15.555 12.501 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.660 -14.496 9.074 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.312 -13.627 9.846 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.991 -13.256 10.307 1.00 0.00 H new ATOM 1265 N GLY A 85 -2.191 -15.038 10.711 1.00 0.00 N ATOM 1266 CA GLY A 85 -2.804 -13.812 10.233 1.00 0.00 C ATOM 1267 C GLY A 85 -1.926 -12.598 10.461 1.00 0.00 C ATOM 1268 O GLY A 85 -1.669 -12.214 11.603 1.00 0.00 O ATOM 0 H GLY A 85 -2.626 -15.439 11.542 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.018 -13.907 9.168 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.759 -13.666 10.738 1.00 0.00 H new ATOM 1272 N CYS A 86 -1.463 -11.992 9.373 1.00 0.00 N ATOM 1273 CA CYS A 86 -0.605 -10.815 9.460 1.00 0.00 C ATOM 1274 C CYS A 86 -1.175 -9.666 8.635 1.00 0.00 C ATOM 1275 O CYS A 86 -1.615 -9.859 7.501 1.00 0.00 O ATOM 1276 CB CYS A 86 0.808 -11.151 8.980 1.00 0.00 C ATOM 1277 SG CYS A 86 0.859 -12.263 7.555 1.00 0.00 S ATOM 0 H CYS A 86 -1.667 -12.296 8.421 1.00 0.00 H new ATOM 0 HA CYS A 86 -0.562 -10.504 10.504 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.323 -10.225 8.723 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.361 -11.606 9.802 1.00 0.00 H new ATOM 0 HG CYS A 86 1.000 -11.567 6.466 1.00 0.00 H new ATOM 1283 N LYS A 87 -1.166 -8.469 9.212 1.00 0.00 N ATOM 1284 CA LYS A 87 -1.682 -7.287 8.532 1.00 0.00 C ATOM 1285 C LYS A 87 -0.549 -6.487 7.897 1.00 0.00 C ATOM 1286 O LYS A 87 0.618 -6.654 8.252 1.00 0.00 O ATOM 1287 CB LYS A 87 -2.455 -6.405 9.515 1.00 0.00 C ATOM 1288 CG LYS A 87 -3.785 -6.997 9.948 1.00 0.00 C ATOM 1289 CD LYS A 87 -4.757 -5.918 10.393 1.00 0.00 C ATOM 1290 CE LYS A 87 -5.844 -6.484 11.294 1.00 0.00 C ATOM 1291 NZ LYS A 87 -5.446 -6.458 12.728 1.00 0.00 N ATOM 0 H LYS A 87 -0.807 -8.292 10.150 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.357 -7.618 7.742 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.839 -6.233 10.398 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.632 -5.433 9.056 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.219 -7.561 9.123 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.623 -7.701 10.764 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.215 -5.135 10.923 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.213 -5.454 9.518 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.761 -5.910 11.161 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.064 -7.509 10.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.214 -6.852 13.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.585 -7.027 12.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.260 -5.477 13.019 1.00 0.00 H new ATOM 1305 N PHE A 88 -0.901 -5.616 6.956 1.00 0.00 N ATOM 1306 CA PHE A 88 0.086 -4.789 6.272 1.00 0.00 C ATOM 1307 C PHE A 88 -0.536 -3.480 5.798 1.00 0.00 C ATOM 1308 O PHE A 88 -1.739 -3.263 5.944 1.00 0.00 O ATOM 1309 CB PHE A 88 0.679 -5.546 5.082 1.00 0.00 C ATOM 1310 CG PHE A 88 1.135 -6.936 5.422 1.00 0.00 C ATOM 1311 CD1 PHE A 88 0.222 -7.973 5.527 1.00 0.00 C ATOM 1312 CD2 PHE A 88 2.477 -7.206 5.638 1.00 0.00 C ATOM 1313 CE1 PHE A 88 0.639 -9.253 5.839 1.00 0.00 C ATOM 1314 CE2 PHE A 88 2.899 -8.484 5.950 1.00 0.00 C ATOM 1315 CZ PHE A 88 1.979 -9.509 6.052 1.00 0.00 C ATOM 0 H PHE A 88 -1.862 -5.465 6.650 1.00 0.00 H new ATOM 0 HA PHE A 88 0.882 -4.557 6.979 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -0.066 -5.601 4.289 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.524 -4.982 4.687 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.828 -7.779 5.363 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.201 -6.408 5.562 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.083 -10.053 5.916 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.948 -8.681 6.114 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.307 -10.508 6.298 1.00 0.00 H new ATOM 1325 N ARG A 89 0.292 -2.609 5.230 1.00 0.00 N ATOM 1326 CA ARG A 89 -0.175 -1.320 4.735 1.00 0.00 C ATOM 1327 C ARG A 89 0.927 -0.602 3.962 1.00 0.00 C ATOM 1328 O ARG A 89 2.110 -0.741 4.274 1.00 0.00 O ATOM 1329 CB ARG A 89 -0.650 -0.446 5.897 1.00 0.00 C ATOM 1330 CG ARG A 89 0.392 -0.263 6.988 1.00 0.00 C ATOM 1331 CD ARG A 89 -0.254 -0.091 8.353 1.00 0.00 C ATOM 1332 NE ARG A 89 -0.520 1.312 8.660 1.00 0.00 N ATOM 1333 CZ ARG A 89 -1.436 1.712 9.535 1.00 0.00 C ATOM 1334 NH1 ARG A 89 -2.168 0.820 10.188 1.00 0.00 N ATOM 1335 NH2 ARG A 89 -1.620 3.007 9.760 1.00 0.00 N ATOM 0 H ARG A 89 1.290 -2.773 5.101 1.00 0.00 H new ATOM 0 HA ARG A 89 -1.011 -1.500 4.059 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.935 0.533 5.511 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.545 -0.890 6.332 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.057 -1.126 7.005 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.007 0.609 6.763 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.188 -0.652 8.385 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.398 -0.512 9.118 1.00 0.00 H new ATOM 0 HE ARG A 89 0.028 2.024 8.176 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.028 -0.176 10.019 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -2.871 1.130 10.859 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.058 3.696 9.261 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.324 3.313 10.432 1.00 0.00 H new ATOM 1349 N LEU A 90 0.531 0.165 2.952 1.00 0.00 N ATOM 1350 CA LEU A 90 1.485 0.905 2.134 1.00 0.00 C ATOM 1351 C LEU A 90 1.374 2.405 2.390 1.00 0.00 C ATOM 1352 O LEU A 90 0.300 2.912 2.712 1.00 0.00 O ATOM 1353 CB LEU A 90 1.250 0.611 0.651 1.00 0.00 C ATOM 1354 CG LEU A 90 2.360 1.051 -0.304 1.00 0.00 C ATOM 1355 CD1 LEU A 90 3.690 0.437 0.103 1.00 0.00 C ATOM 1356 CD2 LEU A 90 2.012 0.673 -1.737 1.00 0.00 C ATOM 0 H LEU A 90 -0.444 0.291 2.680 1.00 0.00 H new ATOM 0 HA LEU A 90 2.489 0.582 2.408 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.101 -0.462 0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.323 1.097 0.347 1.00 0.00 H new ATOM 0 HG LEU A 90 2.452 2.136 -0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.467 0.762 -0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.945 0.758 1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.612 -0.650 0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.813 0.994 -2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.891 -0.408 -1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.082 1.162 -2.027 1.00 0.00 H new ATOM 1368 N SER A 91 2.492 3.109 2.243 1.00 0.00 N ATOM 1369 CA SER A 91 2.521 4.551 2.460 1.00 0.00 C ATOM 1370 C SER A 91 3.629 5.202 1.637 1.00 0.00 C ATOM 1371 O SER A 91 4.749 4.697 1.576 1.00 0.00 O ATOM 1372 CB SER A 91 2.723 4.861 3.944 1.00 0.00 C ATOM 1373 OG SER A 91 3.756 4.063 4.496 1.00 0.00 O ATOM 0 H SER A 91 3.389 2.705 1.975 1.00 0.00 H new ATOM 0 HA SER A 91 1.564 4.961 2.138 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.968 5.916 4.068 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.794 4.684 4.485 1.00 0.00 H new ATOM 0 HG SER A 91 3.367 3.394 5.098 1.00 0.00 H new ATOM 1379 N ALA A 92 3.306 6.326 1.007 1.00 0.00 N ATOM 1380 CA ALA A 92 4.273 7.048 0.190 1.00 0.00 C ATOM 1381 C ALA A 92 4.779 8.294 0.910 1.00 0.00 C ATOM 1382 O ALA A 92 3.995 9.063 1.465 1.00 0.00 O ATOM 1383 CB ALA A 92 3.656 7.425 -1.149 1.00 0.00 C ATOM 0 H ALA A 92 2.382 6.756 1.047 1.00 0.00 H new ATOM 0 HA ALA A 92 5.124 6.391 0.014 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.390 7.964 -1.749 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.350 6.521 -1.676 1.00 0.00 H new ATOM 0 HB3 ALA A 92 2.786 8.060 -0.983 1.00 0.00 H new ATOM 1389 N ARG A 93 6.094 8.486 0.897 1.00 0.00 N ATOM 1390 CA ARG A 93 6.705 9.637 1.551 1.00 0.00 C ATOM 1391 C ARG A 93 7.558 10.432 0.567 1.00 0.00 C ATOM 1392 O ARG A 93 8.374 9.866 -0.160 1.00 0.00 O ATOM 1393 CB ARG A 93 7.561 9.184 2.734 1.00 0.00 C ATOM 1394 CG ARG A 93 8.358 10.308 3.376 1.00 0.00 C ATOM 1395 CD ARG A 93 9.599 9.780 4.078 1.00 0.00 C ATOM 1396 NE ARG A 93 10.398 10.856 4.659 1.00 0.00 N ATOM 1397 CZ ARG A 93 11.565 10.661 5.263 1.00 0.00 C ATOM 1398 NH1 ARG A 93 12.067 9.438 5.363 1.00 0.00 N ATOM 1399 NH2 ARG A 93 12.233 11.691 5.767 1.00 0.00 N ATOM 0 H ARG A 93 6.757 7.859 0.441 1.00 0.00 H new ATOM 0 HA ARG A 93 5.906 10.282 1.916 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.915 8.732 3.487 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.249 8.408 2.398 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.649 11.030 2.614 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.730 10.837 4.093 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.303 9.084 4.863 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.207 9.220 3.367 1.00 0.00 H new ATOM 0 HE ARG A 93 10.040 11.809 4.598 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.557 8.644 4.976 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.963 9.291 5.827 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.850 12.633 5.691 1.00 0.00 H new ATOM 0 HH22 ARG A 93 13.129 11.540 6.231 1.00 0.00 H new ATOM 1413 N ASN A 94 7.363 11.746 0.549 1.00 0.00 N ATOM 1414 CA ASN A 94 8.114 12.619 -0.346 1.00 0.00 C ATOM 1415 C ASN A 94 8.968 13.605 0.445 1.00 0.00 C ATOM 1416 O ASN A 94 8.958 13.602 1.676 1.00 0.00 O ATOM 1417 CB ASN A 94 7.160 13.380 -1.269 1.00 0.00 C ATOM 1418 CG ASN A 94 6.122 14.174 -0.500 1.00 0.00 C ATOM 1419 OD1 ASN A 94 6.082 14.137 0.730 1.00 0.00 O ATOM 1420 ND2 ASN A 94 5.275 14.897 -1.224 1.00 0.00 N ATOM 0 H ASN A 94 6.691 12.230 1.144 1.00 0.00 H new ATOM 0 HA ASN A 94 8.775 11.997 -0.950 1.00 0.00 H new ATOM 0 HB2 ASN A 94 7.734 14.056 -1.903 1.00 0.00 H new ATOM 0 HB3 ASN A 94 6.657 12.674 -1.929 1.00 0.00 H new ATOM 0 HD21 ASN A 94 4.554 15.452 -0.762 1.00 0.00 H new ATOM 0 HD22 ASN A 94 5.345 14.898 -2.242 1.00 0.00 H new ATOM 1427 N ASP A 95 9.706 14.446 -0.271 1.00 0.00 N ATOM 1428 CA ASP A 95 10.565 15.439 0.364 1.00 0.00 C ATOM 1429 C ASP A 95 9.826 16.160 1.486 1.00 0.00 C ATOM 1430 O ASP A 95 10.444 16.722 2.390 1.00 0.00 O ATOM 1431 CB ASP A 95 11.060 16.452 -0.670 1.00 0.00 C ATOM 1432 CG ASP A 95 12.083 17.412 -0.097 1.00 0.00 C ATOM 1433 OD1 ASP A 95 11.675 18.375 0.586 1.00 0.00 O ATOM 1434 OD2 ASP A 95 13.292 17.202 -0.331 1.00 0.00 O ATOM 0 H ASP A 95 9.727 14.460 -1.291 1.00 0.00 H new ATOM 0 HA ASP A 95 11.422 14.920 0.793 1.00 0.00 H new ATOM 0 HB2 ASP A 95 11.498 15.920 -1.514 1.00 0.00 H new ATOM 0 HB3 ASP A 95 10.212 17.017 -1.055 1.00 0.00 H new ATOM 1439 N TYR A 96 8.499 16.141 1.421 1.00 0.00 N ATOM 1440 CA TYR A 96 7.675 16.796 2.429 1.00 0.00 C ATOM 1441 C TYR A 96 7.519 15.913 3.663 1.00 0.00 C ATOM 1442 O TYR A 96 7.962 16.267 4.755 1.00 0.00 O ATOM 1443 CB TYR A 96 6.299 17.134 1.853 1.00 0.00 C ATOM 1444 CG TYR A 96 6.313 18.308 0.900 1.00 0.00 C ATOM 1445 CD1 TYR A 96 7.149 18.317 -0.210 1.00 0.00 C ATOM 1446 CD2 TYR A 96 5.490 19.408 1.108 1.00 0.00 C ATOM 1447 CE1 TYR A 96 7.166 19.387 -1.083 1.00 0.00 C ATOM 1448 CE2 TYR A 96 5.499 20.482 0.240 1.00 0.00 C ATOM 1449 CZ TYR A 96 6.339 20.467 -0.854 1.00 0.00 C ATOM 1450 OH TYR A 96 6.352 21.535 -1.722 1.00 0.00 O ATOM 0 H TYR A 96 7.971 15.679 0.680 1.00 0.00 H new ATOM 0 HA TYR A 96 8.174 17.719 2.725 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.907 16.260 1.333 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.614 17.351 2.673 1.00 0.00 H new ATOM 0 HD1 TYR A 96 7.797 17.472 -0.393 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.831 19.423 1.964 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.823 19.378 -1.940 1.00 0.00 H new ATOM 0 HE2 TYR A 96 4.852 21.329 0.417 1.00 0.00 H new ATOM 0 HH TYR A 96 6.582 21.222 -2.622 1.00 0.00 H new ATOM 1460 N GLY A 97 6.885 14.758 3.480 1.00 0.00 N ATOM 1461 CA GLY A 97 6.681 13.840 4.585 1.00 0.00 C ATOM 1462 C GLY A 97 6.024 12.545 4.150 1.00 0.00 C ATOM 1463 O GLY A 97 5.820 12.313 2.958 1.00 0.00 O ATOM 0 H GLY A 97 6.509 14.442 2.586 1.00 0.00 H new ATOM 0 HA2 GLY A 97 7.641 13.618 5.051 1.00 0.00 H new ATOM 0 HA3 GLY A 97 6.063 14.321 5.343 1.00 0.00 H new ATOM 1467 N THR A 98 5.692 11.697 5.118 1.00 0.00 N ATOM 1468 CA THR A 98 5.057 10.418 4.829 1.00 0.00 C ATOM 1469 C THR A 98 3.540 10.519 4.943 1.00 0.00 C ATOM 1470 O THR A 98 3.009 10.876 5.994 1.00 0.00 O ATOM 1471 CB THR A 98 5.559 9.314 5.779 1.00 0.00 C ATOM 1472 OG1 THR A 98 6.987 9.224 5.714 1.00 0.00 O ATOM 1473 CG2 THR A 98 4.945 7.969 5.419 1.00 0.00 C ATOM 0 H THR A 98 5.853 11.873 6.110 1.00 0.00 H new ATOM 0 HA THR A 98 5.325 10.156 3.805 1.00 0.00 H new ATOM 0 HB THR A 98 5.257 9.574 6.794 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.298 8.521 6.322 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.314 7.205 6.104 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.860 8.032 5.497 1.00 0.00 H new ATOM 0 HG23 THR A 98 5.221 7.705 4.398 1.00 0.00 H new ATOM 1481 N SER A 99 2.847 10.201 3.854 1.00 0.00 N ATOM 1482 CA SER A 99 1.390 10.259 3.831 1.00 0.00 C ATOM 1483 C SER A 99 0.787 9.068 4.570 1.00 0.00 C ATOM 1484 O SER A 99 1.396 8.002 4.653 1.00 0.00 O ATOM 1485 CB SER A 99 0.883 10.288 2.388 1.00 0.00 C ATOM 1486 OG SER A 99 -0.382 9.658 2.279 1.00 0.00 O ATOM 0 H SER A 99 3.271 9.901 2.976 1.00 0.00 H new ATOM 0 HA SER A 99 1.079 11.173 4.337 1.00 0.00 H new ATOM 0 HB2 SER A 99 0.809 11.320 2.046 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.600 9.787 1.737 1.00 0.00 H new ATOM 0 HG SER A 99 -0.964 10.191 1.697 1.00 0.00 H new ATOM 1492 N GLY A 100 -0.415 9.259 5.105 1.00 0.00 N ATOM 1493 CA GLY A 100 -1.081 8.193 5.831 1.00 0.00 C ATOM 1494 C GLY A 100 -0.952 6.851 5.138 1.00 0.00 C ATOM 1495 O GLY A 100 -0.785 6.787 3.919 1.00 0.00 O ATOM 0 H GLY A 100 -0.939 10.132 5.049 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.660 8.122 6.834 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.137 8.440 5.945 1.00 0.00 H new ATOM 1499 N PHE A 101 -1.028 5.776 5.915 1.00 0.00 N ATOM 1500 CA PHE A 101 -0.916 4.428 5.369 1.00 0.00 C ATOM 1501 C PHE A 101 -2.244 3.971 4.773 1.00 0.00 C ATOM 1502 O PHE A 101 -3.302 4.506 5.103 1.00 0.00 O ATOM 1503 CB PHE A 101 -0.468 3.450 6.456 1.00 0.00 C ATOM 1504 CG PHE A 101 0.865 3.791 7.057 1.00 0.00 C ATOM 1505 CD1 PHE A 101 0.973 4.780 8.021 1.00 0.00 C ATOM 1506 CD2 PHE A 101 2.011 3.122 6.658 1.00 0.00 C ATOM 1507 CE1 PHE A 101 2.199 5.096 8.576 1.00 0.00 C ATOM 1508 CE2 PHE A 101 3.240 3.433 7.210 1.00 0.00 C ATOM 1509 CZ PHE A 101 3.334 4.422 8.169 1.00 0.00 C ATOM 0 H PHE A 101 -1.167 5.812 6.925 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.169 4.445 4.576 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -1.219 3.428 7.246 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.421 2.446 6.033 1.00 0.00 H new ATOM 0 HD1 PHE A 101 0.089 5.310 8.343 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.943 2.349 5.907 1.00 0.00 H new ATOM 0 HE1 PHE A 101 2.269 5.869 9.327 1.00 0.00 H new ATOM 0 HE2 PHE A 101 4.125 2.903 6.891 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.293 4.668 8.600 1.00 0.00 H new ATOM 1519 N SER A 102 -2.179 2.978 3.891 1.00 0.00 N ATOM 1520 CA SER A 102 -3.376 2.451 3.245 1.00 0.00 C ATOM 1521 C SER A 102 -4.283 1.762 4.260 1.00 0.00 C ATOM 1522 O SER A 102 -3.977 1.717 5.451 1.00 0.00 O ATOM 1523 CB SER A 102 -2.991 1.467 2.138 1.00 0.00 C ATOM 1524 OG SER A 102 -2.440 0.279 2.679 1.00 0.00 O ATOM 0 H SER A 102 -1.311 2.523 3.608 1.00 0.00 H new ATOM 0 HA SER A 102 -3.921 3.287 2.806 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.870 1.225 1.541 1.00 0.00 H new ATOM 0 HB3 SER A 102 -2.269 1.934 1.468 1.00 0.00 H new ATOM 0 HG SER A 102 -2.890 -0.498 2.287 1.00 0.00 H new ATOM 1530 N GLU A 103 -5.401 1.227 3.778 1.00 0.00 N ATOM 1531 CA GLU A 103 -6.353 0.542 4.644 1.00 0.00 C ATOM 1532 C GLU A 103 -5.778 -0.779 5.148 1.00 0.00 C ATOM 1533 O GLU A 103 -5.408 -1.647 4.359 1.00 0.00 O ATOM 1534 CB GLU A 103 -7.664 0.287 3.896 1.00 0.00 C ATOM 1535 CG GLU A 103 -8.563 1.509 3.811 1.00 0.00 C ATOM 1536 CD GLU A 103 -10.033 1.147 3.728 1.00 0.00 C ATOM 1537 OE1 GLU A 103 -10.437 0.539 2.715 1.00 0.00 O ATOM 1538 OE2 GLU A 103 -10.779 1.471 4.675 1.00 0.00 O ATOM 0 H GLU A 103 -5.669 1.255 2.794 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.551 1.184 5.503 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -7.436 -0.057 2.887 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -8.205 -0.518 4.393 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -8.397 2.139 4.685 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -8.288 2.098 2.936 1.00 0.00 H new ATOM 1545 N GLU A 104 -5.706 -0.921 6.467 1.00 0.00 N ATOM 1546 CA GLU A 104 -5.174 -2.134 7.077 1.00 0.00 C ATOM 1547 C GLU A 104 -5.692 -3.376 6.357 1.00 0.00 C ATOM 1548 O GLU A 104 -6.890 -3.659 6.368 1.00 0.00 O ATOM 1549 CB GLU A 104 -5.552 -2.195 8.558 1.00 0.00 C ATOM 1550 CG GLU A 104 -5.002 -1.038 9.375 1.00 0.00 C ATOM 1551 CD GLU A 104 -5.173 -1.244 10.867 1.00 0.00 C ATOM 1552 OE1 GLU A 104 -6.276 -0.964 11.383 1.00 0.00 O ATOM 1553 OE2 GLU A 104 -4.204 -1.685 11.520 1.00 0.00 O ATOM 0 H GLU A 104 -6.009 -0.211 7.134 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.088 -2.109 6.988 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.638 -2.207 8.647 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.187 -3.132 8.979 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.944 -0.909 9.149 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.505 -0.118 9.079 1.00 0.00 H new ATOM 1560 N VAL A 105 -4.780 -4.114 5.731 1.00 0.00 N ATOM 1561 CA VAL A 105 -5.144 -5.325 5.006 1.00 0.00 C ATOM 1562 C VAL A 105 -4.718 -6.573 5.773 1.00 0.00 C ATOM 1563 O VAL A 105 -3.554 -6.718 6.148 1.00 0.00 O ATOM 1564 CB VAL A 105 -4.504 -5.354 3.605 1.00 0.00 C ATOM 1565 CG1 VAL A 105 -5.143 -4.308 2.705 1.00 0.00 C ATOM 1566 CG2 VAL A 105 -3.001 -5.141 3.702 1.00 0.00 C ATOM 0 H VAL A 105 -3.784 -3.894 5.712 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.229 -5.318 4.902 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.681 -6.335 3.163 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.678 -4.343 1.720 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -6.210 -4.512 2.611 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.000 -3.318 3.139 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.565 -5.164 2.703 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.800 -4.174 4.163 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.560 -5.932 4.309 1.00 0.00 H new ATOM 1576 N LEU A 106 -5.669 -7.471 6.003 1.00 0.00 N ATOM 1577 CA LEU A 106 -5.394 -8.709 6.726 1.00 0.00 C ATOM 1578 C LEU A 106 -5.181 -9.868 5.758 1.00 0.00 C ATOM 1579 O LEU A 106 -5.966 -10.068 4.831 1.00 0.00 O ATOM 1580 CB LEU A 106 -6.543 -9.031 7.682 1.00 0.00 C ATOM 1581 CG LEU A 106 -6.409 -10.328 8.480 1.00 0.00 C ATOM 1582 CD1 LEU A 106 -5.213 -10.256 9.417 1.00 0.00 C ATOM 1583 CD2 LEU A 106 -7.685 -10.608 9.261 1.00 0.00 C ATOM 0 H LEU A 106 -6.637 -7.366 5.700 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.480 -8.569 7.303 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -6.646 -8.204 8.385 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.467 -9.077 7.105 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.248 -11.148 7.780 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.133 -11.188 9.977 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -4.304 -10.103 8.835 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.344 -9.426 10.111 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.572 -11.535 9.823 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.877 -9.786 9.951 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.522 -10.703 8.569 1.00 0.00 H new ATOM 1595 N TYR A 107 -4.116 -10.631 5.981 1.00 0.00 N ATOM 1596 CA TYR A 107 -3.801 -11.771 5.129 1.00 0.00 C ATOM 1597 C TYR A 107 -3.473 -13.003 5.967 1.00 0.00 C ATOM 1598 O TYR A 107 -3.094 -12.892 7.133 1.00 0.00 O ATOM 1599 CB TYR A 107 -2.624 -11.437 4.211 1.00 0.00 C ATOM 1600 CG TYR A 107 -3.025 -10.691 2.958 1.00 0.00 C ATOM 1601 CD1 TYR A 107 -3.634 -11.352 1.898 1.00 0.00 C ATOM 1602 CD2 TYR A 107 -2.796 -9.327 2.835 1.00 0.00 C ATOM 1603 CE1 TYR A 107 -4.002 -10.675 0.751 1.00 0.00 C ATOM 1604 CE2 TYR A 107 -3.162 -8.641 1.693 1.00 0.00 C ATOM 1605 CZ TYR A 107 -3.765 -9.320 0.654 1.00 0.00 C ATOM 1606 OH TYR A 107 -4.130 -8.641 -0.486 1.00 0.00 O ATOM 0 H TYR A 107 -3.457 -10.480 6.745 1.00 0.00 H new ATOM 0 HA TYR A 107 -4.678 -11.991 4.520 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -1.901 -10.838 4.765 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -2.121 -12.362 3.928 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -3.823 -12.413 1.972 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -2.324 -8.793 3.646 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -4.472 -11.204 -0.065 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.977 -7.580 1.614 1.00 0.00 H new ATOM 0 HH TYR A 107 -3.894 -7.694 -0.393 1.00 0.00 H new ATOM 1616 N TYR A 108 -3.622 -14.177 5.364 1.00 0.00 N ATOM 1617 CA TYR A 108 -3.344 -15.431 6.053 1.00 0.00 C ATOM 1618 C TYR A 108 -2.519 -16.365 5.173 1.00 0.00 C ATOM 1619 O TYR A 108 -2.991 -16.847 4.143 1.00 0.00 O ATOM 1620 CB TYR A 108 -4.651 -16.115 6.458 1.00 0.00 C ATOM 1621 CG TYR A 108 -5.115 -15.759 7.852 1.00 0.00 C ATOM 1622 CD1 TYR A 108 -5.765 -14.556 8.102 1.00 0.00 C ATOM 1623 CD2 TYR A 108 -4.903 -16.623 8.919 1.00 0.00 C ATOM 1624 CE1 TYR A 108 -6.190 -14.226 9.375 1.00 0.00 C ATOM 1625 CE2 TYR A 108 -5.326 -16.301 10.194 1.00 0.00 C ATOM 1626 CZ TYR A 108 -5.969 -15.101 10.417 1.00 0.00 C ATOM 1627 OH TYR A 108 -6.390 -14.777 11.686 1.00 0.00 O ATOM 0 H TYR A 108 -3.934 -14.286 4.399 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.768 -15.204 6.950 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.429 -15.843 5.745 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.521 -17.195 6.392 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -5.941 -13.868 7.288 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -4.399 -17.563 8.749 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -6.693 -13.287 9.553 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -5.154 -16.985 11.012 1.00 0.00 H new ATOM 0 HH TYR A 108 -6.158 -15.502 12.303 1.00 0.00 H new ATOM 1637 N THR A 109 -1.281 -16.619 5.588 1.00 0.00 N ATOM 1638 CA THR A 109 -0.389 -17.494 4.839 1.00 0.00 C ATOM 1639 C THR A 109 -1.098 -18.779 4.425 1.00 0.00 C ATOM 1640 O THR A 109 -2.106 -19.161 5.019 1.00 0.00 O ATOM 1641 CB THR A 109 0.864 -17.855 5.660 1.00 0.00 C ATOM 1642 OG1 THR A 109 0.522 -17.980 7.045 1.00 0.00 O ATOM 1643 CG2 THR A 109 1.943 -16.796 5.493 1.00 0.00 C ATOM 0 H THR A 109 -0.874 -16.231 6.439 1.00 0.00 H new ATOM 0 HA THR A 109 -0.085 -16.946 3.947 1.00 0.00 H new ATOM 0 HB THR A 109 1.250 -18.806 5.294 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.292 -18.328 7.542 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.818 -17.072 6.082 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.221 -16.723 4.442 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.564 -15.833 5.836 1.00 0.00 H new ATOM 1651 N SER A 110 -0.564 -19.441 3.404 1.00 0.00 N ATOM 1652 CA SER A 110 -1.149 -20.682 2.909 1.00 0.00 C ATOM 1653 C SER A 110 -1.416 -21.652 4.056 1.00 0.00 C ATOM 1654 O SER A 110 -0.609 -21.783 4.974 1.00 0.00 O ATOM 1655 CB SER A 110 -0.221 -21.333 1.881 1.00 0.00 C ATOM 1656 OG SER A 110 -0.423 -20.783 0.591 1.00 0.00 O ATOM 0 H SER A 110 0.272 -19.139 2.904 1.00 0.00 H new ATOM 0 HA SER A 110 -2.099 -20.442 2.431 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.817 -21.191 2.182 1.00 0.00 H new ATOM 0 HB3 SER A 110 -0.400 -22.408 1.854 1.00 0.00 H new ATOM 0 HG SER A 110 0.406 -20.363 0.281 1.00 0.00 H new ATOM 1662 N GLY A 111 -2.558 -22.331 3.994 1.00 0.00 N ATOM 1663 CA GLY A 111 -2.913 -23.281 5.033 1.00 0.00 C ATOM 1664 C GLY A 111 -4.171 -24.059 4.701 1.00 0.00 C ATOM 1665 O GLY A 111 -4.116 -25.074 4.005 1.00 0.00 O ATOM 0 H GLY A 111 -3.243 -22.240 3.244 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -2.088 -23.977 5.182 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -3.056 -22.749 5.974 1.00 0.00 H new ATOM 1669 N CYS A 112 -5.307 -23.585 5.200 1.00 0.00 N ATOM 1670 CA CYS A 112 -6.584 -24.246 4.955 1.00 0.00 C ATOM 1671 C CYS A 112 -7.370 -23.523 3.866 1.00 0.00 C ATOM 1672 O CYS A 112 -7.688 -22.341 3.996 1.00 0.00 O ATOM 1673 CB CYS A 112 -7.408 -24.302 6.242 1.00 0.00 C ATOM 1674 SG CYS A 112 -8.696 -25.572 6.239 1.00 0.00 S ATOM 0 H CYS A 112 -5.370 -22.746 5.776 1.00 0.00 H new ATOM 0 HA CYS A 112 -6.380 -25.262 4.618 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -6.738 -24.482 7.083 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -7.872 -23.329 6.406 1.00 0.00 H new ATOM 0 HG CYS A 112 -9.337 -25.543 7.370 1.00 0.00 H new ATOM 1680 N SER A 113 -7.677 -24.240 2.790 1.00 0.00 N ATOM 1681 CA SER A 113 -8.420 -23.666 1.675 1.00 0.00 C ATOM 1682 C SER A 113 -9.887 -24.081 1.728 1.00 0.00 C ATOM 1683 O SER A 113 -10.785 -23.246 1.626 1.00 0.00 O ATOM 1684 CB SER A 113 -7.803 -24.101 0.344 1.00 0.00 C ATOM 1685 OG SER A 113 -8.464 -23.489 -0.749 1.00 0.00 O ATOM 0 H SER A 113 -7.422 -25.220 2.667 1.00 0.00 H new ATOM 0 HA SER A 113 -8.364 -22.580 1.755 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.745 -23.838 0.327 1.00 0.00 H new ATOM 0 HB3 SER A 113 -7.863 -25.185 0.249 1.00 0.00 H new ATOM 0 HG SER A 113 -8.050 -23.782 -1.587 1.00 0.00 H new ATOM 1691 N GLY A 114 -10.123 -25.380 1.888 1.00 0.00 N ATOM 1692 CA GLY A 114 -11.481 -25.886 1.952 1.00 0.00 C ATOM 1693 C GLY A 114 -11.586 -27.170 2.751 1.00 0.00 C ATOM 1694 O GLY A 114 -10.594 -27.689 3.263 1.00 0.00 O ATOM 0 H GLY A 114 -9.397 -26.091 1.974 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -12.126 -25.130 2.399 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -11.848 -26.060 0.941 1.00 0.00 H new ATOM 1698 N PRO A 115 -12.811 -27.701 2.867 1.00 0.00 N ATOM 1699 CA PRO A 115 -13.071 -28.939 3.609 1.00 0.00 C ATOM 1700 C PRO A 115 -12.498 -30.166 2.908 1.00 0.00 C ATOM 1701 O PRO A 115 -12.718 -30.369 1.714 1.00 0.00 O ATOM 1702 CB PRO A 115 -14.599 -29.012 3.653 1.00 0.00 C ATOM 1703 CG PRO A 115 -15.050 -28.233 2.466 1.00 0.00 C ATOM 1704 CD PRO A 115 -14.039 -27.136 2.282 1.00 0.00 C ATOM 0 HA PRO A 115 -12.603 -28.930 4.593 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -14.948 -30.044 3.605 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -14.989 -28.586 4.577 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -15.104 -28.867 1.581 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -16.047 -27.822 2.625 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -13.904 -26.886 1.230 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -14.342 -26.221 2.791 1.00 0.00 H new ATOM 1712 N SER A 116 -11.764 -30.981 3.658 1.00 0.00 N ATOM 1713 CA SER A 116 -11.157 -32.187 3.108 1.00 0.00 C ATOM 1714 C SER A 116 -12.128 -32.908 2.178 1.00 0.00 C ATOM 1715 O SER A 116 -13.266 -33.194 2.551 1.00 0.00 O ATOM 1716 CB SER A 116 -10.721 -33.125 4.235 1.00 0.00 C ATOM 1717 OG SER A 116 -9.551 -32.645 4.874 1.00 0.00 O ATOM 0 H SER A 116 -11.575 -30.828 4.649 1.00 0.00 H new ATOM 0 HA SER A 116 -10.280 -31.892 2.532 1.00 0.00 H new ATOM 0 HB2 SER A 116 -11.525 -33.220 4.965 1.00 0.00 H new ATOM 0 HB3 SER A 116 -10.537 -34.121 3.833 1.00 0.00 H new ATOM 0 HG SER A 116 -9.294 -33.261 5.591 1.00 0.00 H new ATOM 1723 N SER A 117 -11.670 -33.200 0.965 1.00 0.00 N ATOM 1724 CA SER A 117 -12.498 -33.884 -0.022 1.00 0.00 C ATOM 1725 C SER A 117 -11.923 -35.257 -0.355 1.00 0.00 C ATOM 1726 O SER A 117 -10.980 -35.374 -1.137 1.00 0.00 O ATOM 1727 CB SER A 117 -12.612 -33.043 -1.295 1.00 0.00 C ATOM 1728 OG SER A 117 -13.266 -31.813 -1.036 1.00 0.00 O ATOM 0 H SER A 117 -10.729 -32.974 0.642 1.00 0.00 H new ATOM 0 HA SER A 117 -13.492 -34.019 0.405 1.00 0.00 H new ATOM 0 HB2 SER A 117 -11.618 -32.852 -1.699 1.00 0.00 H new ATOM 0 HB3 SER A 117 -13.163 -33.599 -2.054 1.00 0.00 H new ATOM 0 HG SER A 117 -13.094 -31.539 -0.111 1.00 0.00 H new ATOM 1734 N GLY A 118 -12.499 -36.294 0.245 1.00 0.00 N ATOM 1735 CA GLY A 118 -12.031 -37.646 0.000 1.00 0.00 C ATOM 1736 C GLY A 118 -11.623 -38.359 1.274 1.00 0.00 C ATOM 1737 O GLY A 118 -11.808 -39.569 1.403 1.00 0.00 O ATOM 0 H GLY A 118 -13.281 -36.222 0.896 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -12.818 -38.215 -0.495 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -11.182 -37.615 -0.683 1.00 0.00 H new TER 1741 GLY A 118