USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 960 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 103 ASN : amide:sc= -0.428 K(o=-0.67,f=-2.1!) USER MOD Set 1.2: A 106 ASN : amide:sc= -0.24 K(o=-0.67,f=-0.0017) USER MOD Set 2.1: A 41 GLN : amide:sc= -0.199 X(o=-0.21,f=-0.47) USER MOD Set 2.2: A 86 SER OG : rot 170:sc= -0.0149 USER MOD Set 3.1: A 46 ASN : amide:sc= -0.116 X(o=0.32,f=0.54) USER MOD Set 3.2: A 50 SER OG : rot 23:sc= 0.435 USER MOD Set 4.1: A 24 SER OG : rot 180:sc= -0.364 USER MOD Set 4.2: A 27 ASN : amide:sc= -5.76! C(o=-6.1!,f=-0.077!) USER MOD Set 5.1: A 15 HIS : no HE2:sc= -1.38 K(o=-1.3,f=-2.8) USER MOD Set 5.2: A 89 THR OG1 : rot 180:sc= 0.0368 USER MOD Single : A 1 LYS N :NH3+ -121:sc= -2.4! (180deg=-5.75!) USER MOD Single : A 1 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0073) USER MOD Single : A 12 MET CE :methyl -128:sc= -11.1! (180deg=-12.6!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc=-0.00618 K(o=-0.0062,f=-0.8) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 147:sc= 0.328 (180deg=0.0644) USER MOD Single : A 36 SER OG : rot -90:sc= -2.97! USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -3.42! C(o=-3.4!,f=-4.3!) USER MOD Single : A 40 THR OG1 : rot 150:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -3:sc= -1.51! USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -1.72! C(o=-1.7!,f=-1.9!) USER MOD Single : A 59 ASN : amide:sc= -4.85! C(o=-4.8!,f=-9!) USER MOD Single : A 60 SER OG : rot -104:sc= 1.34 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 69 THR OG1 : rot 72:sc= 1.22 USER MOD Single : A 72 SER OG : rot 119:sc= 0.224 USER MOD Single : A 74 ASN : amide:sc= -3.64! C(o=-3.6!,f=-7.1!) USER MOD Single : A 77 ASN : amide:sc=-0.00126 X(o=-0.0013,f=-0.05) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -170:sc= -1.73 USER MOD Single : A 93 ASN : amide:sc= -0.1 K(o=-0.1,f=-3!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0451) USER MOD Single : A 100 SER OG : rot -34:sc= -0.222 USER MOD Single : A 105 MET CE :methyl -153:sc= -0.981 (180deg=-3.42) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 LYS NZ :NH3+ -127:sc= -0.696 (180deg=-2.61!) USER MOD Single : A 118 THR OG1 : rot -59:sc= 0.646 USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.241 -9.330 0.872 1.00 0.00 N ATOM 2 CA LYS A 1 -5.959 -10.033 0.602 1.00 0.00 C ATOM 3 C LYS A 1 -4.777 -9.073 0.680 1.00 0.00 C ATOM 4 O LYS A 1 -4.729 -8.070 -0.032 1.00 0.00 O ATOM 5 CB LYS A 1 -6.035 -10.664 -0.790 1.00 0.00 C ATOM 6 CG LYS A 1 -4.949 -11.694 -1.050 1.00 0.00 C ATOM 7 CD LYS A 1 -5.522 -13.100 -1.128 1.00 0.00 C ATOM 8 CE LYS A 1 -4.797 -13.940 -2.168 1.00 0.00 C ATOM 9 NZ LYS A 1 -3.366 -14.147 -1.816 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.710 -9.766 1.691 1.00 0.00 H new ATOM 0 H2 LYS A 1 -7.051 -8.328 1.074 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.860 -9.404 0.039 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.806 -10.803 1.358 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.009 -11.137 -0.913 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.965 -9.877 -1.541 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -4.437 -11.457 -1.982 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -4.204 -11.647 -0.256 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -5.445 -13.580 -0.153 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -6.582 -13.049 -1.375 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -5.291 -14.907 -2.262 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -4.865 -13.452 -3.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -2.921 -14.766 -2.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -2.876 -13.230 -1.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -3.300 -14.590 -0.877 1.00 0.00 H new ATOM 25 N VAL A 2 -3.825 -9.388 1.552 1.00 0.00 N ATOM 26 CA VAL A 2 -2.640 -8.554 1.726 1.00 0.00 C ATOM 27 C VAL A 2 -1.391 -9.260 1.207 1.00 0.00 C ATOM 28 O VAL A 2 -1.097 -10.387 1.606 1.00 0.00 O ATOM 29 CB VAL A 2 -2.426 -8.177 3.208 1.00 0.00 C ATOM 30 CG1 VAL A 2 -1.111 -7.437 3.398 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.579 -7.330 3.718 1.00 0.00 C ATOM 0 H VAL A 2 -3.850 -10.214 2.149 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.807 -7.644 1.150 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.388 -9.101 3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.985 -7.183 4.451 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.286 -8.073 3.077 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.118 -6.524 2.803 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.409 -7.075 4.764 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.647 -6.416 3.128 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.510 -7.890 3.628 1.00 0.00 H new ATOM 41 N PHE A 3 -0.641 -8.585 0.336 1.00 0.00 N ATOM 42 CA PHE A 3 0.589 -9.153 -0.207 1.00 0.00 C ATOM 43 C PHE A 3 1.707 -9.059 0.822 1.00 0.00 C ATOM 44 O PHE A 3 1.505 -8.568 1.931 1.00 0.00 O ATOM 45 CB PHE A 3 1.030 -8.408 -1.471 1.00 0.00 C ATOM 46 CG PHE A 3 0.041 -8.422 -2.603 1.00 0.00 C ATOM 47 CD1 PHE A 3 -1.097 -9.214 -2.561 1.00 0.00 C ATOM 48 CD2 PHE A 3 0.260 -7.633 -3.717 1.00 0.00 C ATOM 49 CE1 PHE A 3 -1.993 -9.215 -3.611 1.00 0.00 C ATOM 50 CE2 PHE A 3 -0.630 -7.630 -4.769 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.759 -8.421 -4.718 1.00 0.00 C ATOM 0 H PHE A 3 -0.863 -7.650 -0.006 1.00 0.00 H new ATOM 0 HA PHE A 3 0.389 -10.195 -0.455 1.00 0.00 H new ATOM 0 HB2 PHE A 3 1.241 -7.372 -1.207 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.965 -8.844 -1.822 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -1.284 -9.836 -1.698 1.00 0.00 H new ATOM 0 HD2 PHE A 3 1.141 -7.010 -3.763 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -2.876 -9.835 -3.568 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -0.444 -7.009 -5.633 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.458 -8.420 -5.541 1.00 0.00 H new ATOM 61 N GLY A 4 2.892 -9.516 0.438 1.00 0.00 N ATOM 62 CA GLY A 4 4.035 -9.455 1.325 1.00 0.00 C ATOM 63 C GLY A 4 5.004 -8.372 0.899 1.00 0.00 C ATOM 64 O GLY A 4 4.593 -7.348 0.351 1.00 0.00 O ATOM 0 H GLY A 4 3.081 -9.929 -0.475 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.698 -9.264 2.344 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.544 -10.419 1.333 1.00 0.00 H new ATOM 68 N ARG A 5 6.290 -8.590 1.140 1.00 0.00 N ATOM 69 CA ARG A 5 7.306 -7.614 0.765 1.00 0.00 C ATOM 70 C ARG A 5 7.830 -7.880 -0.636 1.00 0.00 C ATOM 71 O ARG A 5 7.761 -7.011 -1.506 1.00 0.00 O ATOM 72 CB ARG A 5 8.459 -7.625 1.770 1.00 0.00 C ATOM 73 CG ARG A 5 8.013 -7.433 3.210 1.00 0.00 C ATOM 74 CD ARG A 5 8.314 -8.661 4.053 1.00 0.00 C ATOM 75 NE ARG A 5 9.269 -8.374 5.120 1.00 0.00 N ATOM 76 CZ ARG A 5 9.328 -9.054 6.260 1.00 0.00 C ATOM 77 NH1 ARG A 5 8.492 -10.059 6.483 1.00 0.00 N ATOM 78 NH2 ARG A 5 10.227 -8.731 7.181 1.00 0.00 N ATOM 0 H ARG A 5 6.654 -9.429 1.591 1.00 0.00 H new ATOM 0 HA ARG A 5 6.841 -6.628 0.774 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.993 -8.572 1.687 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.165 -6.837 1.509 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.517 -6.565 3.636 1.00 0.00 H new ATOM 0 HG3 ARG A 5 6.943 -7.225 3.236 1.00 0.00 H new ATOM 0 HD2 ARG A 5 7.388 -9.038 4.487 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.711 -9.450 3.414 1.00 0.00 H new ATOM 0 HE ARG A 5 9.928 -7.608 4.982 1.00 0.00 H new ATOM 0 HH11 ARG A 5 7.800 -10.313 5.778 1.00 0.00 H new ATOM 0 HH12 ARG A 5 8.541 -10.578 7.360 1.00 0.00 H new ATOM 0 HH21 ARG A 5 10.874 -7.960 7.014 1.00 0.00 H new ATOM 0 HH22 ARG A 5 10.271 -9.254 8.056 1.00 0.00 H new ATOM 92 N CYS A 6 8.357 -9.077 -0.857 1.00 0.00 N ATOM 93 CA CYS A 6 8.889 -9.426 -2.162 1.00 0.00 C ATOM 94 C CYS A 6 7.786 -9.866 -3.110 1.00 0.00 C ATOM 95 O CYS A 6 7.822 -9.541 -4.289 1.00 0.00 O ATOM 96 CB CYS A 6 9.939 -10.520 -2.051 1.00 0.00 C ATOM 97 SG CYS A 6 10.965 -10.418 -0.551 1.00 0.00 S ATOM 0 H CYS A 6 8.426 -9.814 -0.156 1.00 0.00 H new ATOM 0 HA CYS A 6 9.358 -8.529 -2.568 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.441 -11.490 -2.072 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.588 -10.476 -2.926 1.00 0.00 H new ATOM 102 N GLU A 7 6.801 -10.596 -2.596 1.00 0.00 N ATOM 103 CA GLU A 7 5.695 -11.050 -3.430 1.00 0.00 C ATOM 104 C GLU A 7 5.222 -9.899 -4.305 1.00 0.00 C ATOM 105 O GLU A 7 5.161 -10.009 -5.534 1.00 0.00 O ATOM 106 CB GLU A 7 4.543 -11.567 -2.565 1.00 0.00 C ATOM 107 CG GLU A 7 4.689 -13.026 -2.167 1.00 0.00 C ATOM 108 CD GLU A 7 3.392 -13.800 -2.309 1.00 0.00 C ATOM 109 OE1 GLU A 7 2.416 -13.455 -1.611 1.00 0.00 O ATOM 110 OE2 GLU A 7 3.355 -14.753 -3.116 1.00 0.00 O ATOM 0 H GLU A 7 6.746 -10.883 -1.619 1.00 0.00 H new ATOM 0 HA GLU A 7 6.037 -11.870 -4.061 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.475 -10.958 -1.663 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.606 -11.439 -3.108 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.456 -13.493 -2.785 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.032 -13.085 -1.134 1.00 0.00 H new ATOM 117 N LEU A 8 4.925 -8.777 -3.662 1.00 0.00 N ATOM 118 CA LEU A 8 4.494 -7.594 -4.377 1.00 0.00 C ATOM 119 C LEU A 8 5.638 -7.030 -5.208 1.00 0.00 C ATOM 120 O LEU A 8 5.410 -6.544 -6.312 1.00 0.00 O ATOM 121 CB LEU A 8 3.979 -6.516 -3.419 1.00 0.00 C ATOM 122 CG LEU A 8 3.827 -5.126 -4.048 1.00 0.00 C ATOM 123 CD1 LEU A 8 2.640 -5.092 -4.998 1.00 0.00 C ATOM 124 CD2 LEU A 8 3.683 -4.058 -2.976 1.00 0.00 C ATOM 0 H LEU A 8 4.976 -8.666 -2.649 1.00 0.00 H new ATOM 0 HA LEU A 8 3.676 -7.889 -5.035 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.013 -6.830 -3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.661 -6.445 -2.572 1.00 0.00 H new ATOM 0 HG LEU A 8 4.731 -4.915 -4.619 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.551 -4.097 -5.433 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.789 -5.823 -5.792 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.729 -5.332 -4.450 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.577 -3.081 -3.448 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.801 -4.267 -2.371 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.568 -4.059 -2.340 1.00 0.00 H new ATOM 136 N ALA A 9 6.873 -7.103 -4.687 1.00 0.00 N ATOM 137 CA ALA A 9 8.027 -6.585 -5.417 1.00 0.00 C ATOM 138 C ALA A 9 8.211 -7.309 -6.743 1.00 0.00 C ATOM 139 O ALA A 9 8.275 -6.675 -7.794 1.00 0.00 O ATOM 140 CB ALA A 9 9.288 -6.682 -4.579 1.00 0.00 C ATOM 0 H ALA A 9 7.090 -7.510 -3.777 1.00 0.00 H new ATOM 0 HA ALA A 9 7.837 -5.533 -5.630 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.132 -6.290 -5.146 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.163 -6.101 -3.665 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.476 -7.725 -4.323 1.00 0.00 H new ATOM 146 N ALA A 10 8.280 -8.636 -6.694 1.00 0.00 N ATOM 147 CA ALA A 10 8.432 -9.425 -7.903 1.00 0.00 C ATOM 148 C ALA A 10 7.381 -9.000 -8.912 1.00 0.00 C ATOM 149 O ALA A 10 7.653 -8.899 -10.109 1.00 0.00 O ATOM 150 CB ALA A 10 8.310 -10.910 -7.593 1.00 0.00 C ATOM 0 H ALA A 10 8.233 -9.181 -5.833 1.00 0.00 H new ATOM 0 HA ALA A 10 9.423 -9.253 -8.323 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.427 -11.484 -8.512 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.086 -11.199 -6.884 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.330 -11.112 -7.161 1.00 0.00 H new ATOM 156 N ALA A 11 6.177 -8.727 -8.410 1.00 0.00 N ATOM 157 CA ALA A 11 5.090 -8.284 -9.267 1.00 0.00 C ATOM 158 C ALA A 11 5.413 -6.935 -9.876 1.00 0.00 C ATOM 159 O ALA A 11 5.096 -6.660 -11.032 1.00 0.00 O ATOM 160 CB ALA A 11 3.781 -8.234 -8.493 1.00 0.00 C ATOM 0 H ALA A 11 5.936 -8.805 -7.422 1.00 0.00 H new ATOM 0 HA ALA A 11 4.973 -9.004 -10.077 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.981 -7.900 -9.153 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.546 -9.228 -8.111 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.878 -7.539 -7.659 1.00 0.00 H new ATOM 166 N MET A 12 6.060 -6.112 -9.080 1.00 0.00 N ATOM 167 CA MET A 12 6.464 -4.774 -9.513 1.00 0.00 C ATOM 168 C MET A 12 7.402 -4.868 -10.706 1.00 0.00 C ATOM 169 O MET A 12 7.194 -4.215 -11.728 1.00 0.00 O ATOM 170 CB MET A 12 7.175 -4.017 -8.390 1.00 0.00 C ATOM 171 CG MET A 12 6.504 -4.133 -7.036 1.00 0.00 C ATOM 172 SD MET A 12 4.785 -3.603 -7.070 1.00 0.00 S ATOM 173 CE MET A 12 4.996 -1.861 -7.415 1.00 0.00 C ATOM 0 H MET A 12 6.323 -6.340 -8.121 1.00 0.00 H new ATOM 0 HA MET A 12 5.559 -4.233 -9.789 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.197 -4.387 -8.309 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.238 -2.963 -8.662 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.555 -5.168 -6.696 1.00 0.00 H new ATOM 0 HG3 MET A 12 7.052 -3.532 -6.310 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.443 -1.275 -6.681 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.054 -1.605 -7.361 1.00 0.00 H new ATOM 0 HE3 MET A 12 4.620 -1.640 -8.414 1.00 0.00 H new ATOM 183 N LYS A 13 8.439 -5.691 -10.561 1.00 0.00 N ATOM 184 CA LYS A 13 9.420 -5.883 -11.619 1.00 0.00 C ATOM 185 C LYS A 13 8.722 -6.219 -12.926 1.00 0.00 C ATOM 186 O LYS A 13 9.023 -5.642 -13.971 1.00 0.00 O ATOM 187 CB LYS A 13 10.399 -6.998 -11.244 1.00 0.00 C ATOM 188 CG LYS A 13 11.842 -6.686 -11.605 1.00 0.00 C ATOM 189 CD LYS A 13 12.177 -7.151 -13.013 1.00 0.00 C ATOM 190 CE LYS A 13 13.339 -8.131 -13.013 1.00 0.00 C ATOM 191 NZ LYS A 13 12.897 -9.518 -13.324 1.00 0.00 N ATOM 0 H LYS A 13 8.619 -6.235 -9.717 1.00 0.00 H new ATOM 0 HA LYS A 13 9.980 -4.956 -11.746 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.333 -7.183 -10.172 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.098 -7.918 -11.745 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.014 -5.613 -11.524 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.509 -7.170 -10.892 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.302 -7.623 -13.460 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.426 -6.289 -13.633 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.081 -7.814 -13.746 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.827 -8.116 -12.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 13.719 -10.155 -13.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.208 -9.831 -12.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 12.455 -9.539 -14.265 1.00 0.00 H new ATOM 205 N ARG A 14 7.780 -7.151 -12.855 1.00 0.00 N ATOM 206 CA ARG A 14 7.027 -7.558 -14.028 1.00 0.00 C ATOM 207 C ARG A 14 6.193 -6.393 -14.541 1.00 0.00 C ATOM 208 O ARG A 14 6.043 -6.209 -15.750 1.00 0.00 O ATOM 209 CB ARG A 14 6.122 -8.747 -13.697 1.00 0.00 C ATOM 210 CG ARG A 14 5.610 -9.481 -14.926 1.00 0.00 C ATOM 211 CD ARG A 14 6.026 -10.943 -14.914 1.00 0.00 C ATOM 212 NE ARG A 14 7.419 -11.118 -15.312 1.00 0.00 N ATOM 213 CZ ARG A 14 7.838 -12.082 -16.128 1.00 0.00 C ATOM 214 NH1 ARG A 14 6.974 -12.953 -16.630 1.00 0.00 N ATOM 215 NH2 ARG A 14 9.124 -12.174 -16.442 1.00 0.00 N ATOM 0 H ARG A 14 7.521 -7.637 -11.997 1.00 0.00 H new ATOM 0 HA ARG A 14 7.729 -7.862 -14.805 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.671 -9.447 -13.068 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.271 -8.394 -13.114 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.523 -9.411 -14.967 1.00 0.00 H new ATOM 0 HG3 ARG A 14 5.994 -8.999 -15.825 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.880 -11.353 -13.915 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.383 -11.509 -15.588 1.00 0.00 H new ATOM 0 HE ARG A 14 8.110 -10.465 -14.944 1.00 0.00 H new ATOM 0 HH11 ARG A 14 5.985 -12.885 -16.391 1.00 0.00 H new ATOM 0 HH12 ARG A 14 7.298 -13.691 -17.255 1.00 0.00 H new ATOM 0 HH21 ARG A 14 9.792 -11.506 -16.058 1.00 0.00 H new ATOM 0 HH22 ARG A 14 9.445 -12.913 -17.068 1.00 0.00 H new ATOM 229 N HIS A 15 5.628 -5.622 -13.614 1.00 0.00 N ATOM 230 CA HIS A 15 4.783 -4.493 -13.970 1.00 0.00 C ATOM 231 C HIS A 15 5.602 -3.290 -14.423 1.00 0.00 C ATOM 232 O HIS A 15 5.036 -2.293 -14.874 1.00 0.00 O ATOM 233 CB HIS A 15 3.906 -4.101 -12.780 1.00 0.00 C ATOM 234 CG HIS A 15 2.626 -4.874 -12.695 1.00 0.00 C ATOM 235 ND1 HIS A 15 2.044 -5.232 -11.497 1.00 0.00 N ATOM 236 CD2 HIS A 15 1.814 -5.355 -13.665 1.00 0.00 C ATOM 237 CE1 HIS A 15 0.929 -5.901 -11.735 1.00 0.00 C ATOM 238 NE2 HIS A 15 0.766 -5.988 -13.042 1.00 0.00 N ATOM 0 H HIS A 15 5.743 -5.762 -12.610 1.00 0.00 H new ATOM 0 HA HIS A 15 4.156 -4.803 -14.806 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.471 -4.248 -11.860 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.674 -3.038 -12.845 1.00 0.00 H new ATOM 0 HD1 HIS A 15 2.416 -5.015 -10.572 1.00 0.00 H new ATOM 0 HD2 HIS A 15 1.962 -5.259 -14.730 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.264 -6.307 -10.987 1.00 0.00 H new ATOM 247 N GLY A 16 6.929 -3.388 -14.358 1.00 0.00 N ATOM 248 CA GLY A 16 7.772 -2.303 -14.823 1.00 0.00 C ATOM 249 C GLY A 16 7.873 -1.112 -13.887 1.00 0.00 C ATOM 250 O GLY A 16 8.178 -0.010 -14.343 1.00 0.00 O ATOM 0 H GLY A 16 7.432 -4.197 -13.993 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.775 -2.693 -14.997 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.393 -1.957 -15.785 1.00 0.00 H new ATOM 254 N LEU A 17 7.621 -1.290 -12.590 1.00 0.00 N ATOM 255 CA LEU A 17 7.707 -0.155 -11.675 1.00 0.00 C ATOM 256 C LEU A 17 9.115 0.019 -11.139 1.00 0.00 C ATOM 257 O LEU A 17 9.422 1.001 -10.469 1.00 0.00 O ATOM 258 CB LEU A 17 6.724 -0.297 -10.511 1.00 0.00 C ATOM 259 CG LEU A 17 5.331 -0.843 -10.851 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.284 -0.182 -9.970 1.00 0.00 C ATOM 261 CD2 LEU A 17 4.979 -0.627 -12.318 1.00 0.00 C ATOM 0 H LEU A 17 7.364 -2.179 -12.161 1.00 0.00 H new ATOM 0 HA LEU A 17 7.440 0.733 -12.248 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.173 -0.951 -9.764 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.602 0.682 -10.046 1.00 0.00 H new ATOM 0 HG LEU A 17 5.345 -1.917 -10.665 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.298 -0.576 -10.218 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.505 -0.391 -8.923 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.297 0.895 -10.136 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.985 -1.028 -12.517 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.991 0.440 -12.542 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.708 -1.138 -12.946 1.00 0.00 H new ATOM 273 N ASP A 18 9.965 -0.939 -11.438 1.00 0.00 N ATOM 274 CA ASP A 18 11.348 -0.893 -10.980 1.00 0.00 C ATOM 275 C ASP A 18 12.133 0.194 -11.714 1.00 0.00 C ATOM 276 O ASP A 18 12.614 -0.006 -12.831 1.00 0.00 O ATOM 277 CB ASP A 18 12.018 -2.260 -11.145 1.00 0.00 C ATOM 278 CG ASP A 18 13.513 -2.161 -11.376 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.230 -1.730 -10.448 1.00 0.00 O ATOM 280 OD2 ASP A 18 13.968 -2.514 -12.485 1.00 0.00 O ATOM 0 H ASP A 18 9.729 -1.760 -11.995 1.00 0.00 H new ATOM 0 HA ASP A 18 11.345 -0.642 -9.919 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.832 -2.860 -10.254 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.560 -2.784 -11.984 1.00 0.00 H new ATOM 285 N ASN A 19 12.249 1.346 -11.060 1.00 0.00 N ATOM 286 CA ASN A 19 12.967 2.498 -11.601 1.00 0.00 C ATOM 287 C ASN A 19 12.294 3.029 -12.855 1.00 0.00 C ATOM 288 O ASN A 19 12.952 3.522 -13.772 1.00 0.00 O ATOM 289 CB ASN A 19 14.426 2.140 -11.892 1.00 0.00 C ATOM 290 CG ASN A 19 15.360 3.321 -11.708 1.00 0.00 C ATOM 291 OD1 ASN A 19 15.352 3.977 -10.667 1.00 0.00 O ATOM 292 ND2 ASN A 19 16.171 3.598 -12.723 1.00 0.00 N ATOM 0 H ASN A 19 11.847 1.508 -10.137 1.00 0.00 H new ATOM 0 HA ASN A 19 12.945 3.284 -10.847 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.736 1.329 -11.233 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.509 1.770 -12.914 1.00 0.00 H new ATOM 0 HD21 ASN A 19 16.821 4.381 -12.657 1.00 0.00 H new ATOM 0 HD22 ASN A 19 16.144 3.027 -13.568 1.00 0.00 H new ATOM 299 N TYR A 20 10.976 2.939 -12.875 1.00 0.00 N ATOM 300 CA TYR A 20 10.197 3.425 -14.002 1.00 0.00 C ATOM 301 C TYR A 20 10.269 4.941 -14.030 1.00 0.00 C ATOM 302 O TYR A 20 10.854 5.538 -13.125 1.00 0.00 O ATOM 303 CB TYR A 20 8.742 2.960 -13.870 1.00 0.00 C ATOM 304 CG TYR A 20 7.875 3.280 -15.068 1.00 0.00 C ATOM 305 CD1 TYR A 20 8.104 2.676 -16.299 1.00 0.00 C ATOM 306 CD2 TYR A 20 6.827 4.186 -14.966 1.00 0.00 C ATOM 307 CE1 TYR A 20 7.312 2.968 -17.393 1.00 0.00 C ATOM 308 CE2 TYR A 20 6.030 4.481 -16.056 1.00 0.00 C ATOM 309 CZ TYR A 20 6.276 3.871 -17.267 1.00 0.00 C ATOM 310 OH TYR A 20 5.486 4.163 -18.354 1.00 0.00 O ATOM 0 H TYR A 20 10.421 2.533 -12.122 1.00 0.00 H new ATOM 0 HA TYR A 20 10.601 3.026 -14.933 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.731 1.883 -13.705 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.304 3.422 -12.985 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.913 1.968 -16.402 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.632 4.668 -14.019 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.503 2.491 -18.343 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.218 5.186 -15.959 1.00 0.00 H new ATOM 0 HH TYR A 20 4.802 4.816 -18.096 1.00 0.00 H new ATOM 320 N ARG A 21 9.700 5.559 -15.067 1.00 0.00 N ATOM 321 CA ARG A 21 9.706 7.015 -15.202 1.00 0.00 C ATOM 322 C ARG A 21 9.604 7.679 -13.829 1.00 0.00 C ATOM 323 O ARG A 21 10.036 8.816 -13.634 1.00 0.00 O ATOM 324 CB ARG A 21 8.547 7.472 -16.091 1.00 0.00 C ATOM 325 CG ARG A 21 8.998 8.152 -17.374 1.00 0.00 C ATOM 326 CD ARG A 21 8.912 7.209 -18.563 1.00 0.00 C ATOM 327 NE ARG A 21 9.780 6.045 -18.403 1.00 0.00 N ATOM 328 CZ ARG A 21 11.047 6.007 -18.804 1.00 0.00 C ATOM 329 NH1 ARG A 21 11.593 7.065 -19.389 1.00 0.00 N ATOM 330 NH2 ARG A 21 11.770 4.910 -18.620 1.00 0.00 N ATOM 0 H ARG A 21 9.228 5.070 -15.828 1.00 0.00 H new ATOM 0 HA ARG A 21 10.646 7.313 -15.667 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.931 6.609 -16.344 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.916 8.159 -15.527 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.379 9.030 -17.559 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.024 8.503 -17.260 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.881 6.878 -18.689 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.188 7.745 -19.471 1.00 0.00 H new ATOM 0 HE ARG A 21 9.392 5.213 -17.958 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.041 7.910 -19.532 1.00 0.00 H new ATOM 0 HH12 ARG A 21 12.565 7.033 -19.696 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.354 4.094 -18.170 1.00 0.00 H new ATOM 0 HH22 ARG A 21 12.742 4.882 -18.928 1.00 0.00 H new ATOM 344 N GLY A 22 9.061 6.927 -12.877 1.00 0.00 N ATOM 345 CA GLY A 22 8.936 7.398 -11.519 1.00 0.00 C ATOM 346 C GLY A 22 10.102 6.955 -10.651 1.00 0.00 C ATOM 347 O GLY A 22 11.176 7.556 -10.691 1.00 0.00 O ATOM 0 H GLY A 22 8.701 5.985 -13.031 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.876 8.486 -11.517 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.005 7.027 -11.091 1.00 0.00 H new ATOM 351 N TYR A 23 9.879 5.925 -9.835 1.00 0.00 N ATOM 352 CA TYR A 23 10.916 5.446 -8.927 1.00 0.00 C ATOM 353 C TYR A 23 11.189 3.953 -9.043 1.00 0.00 C ATOM 354 O TYR A 23 10.599 3.253 -9.865 1.00 0.00 O ATOM 355 CB TYR A 23 10.548 5.794 -7.488 1.00 0.00 C ATOM 356 CG TYR A 23 10.739 7.257 -7.153 1.00 0.00 C ATOM 357 CD1 TYR A 23 9.861 8.218 -7.635 1.00 0.00 C ATOM 358 CD2 TYR A 23 11.795 7.676 -6.354 1.00 0.00 C ATOM 359 CE1 TYR A 23 10.029 9.555 -7.334 1.00 0.00 C ATOM 360 CE2 TYR A 23 11.970 9.012 -6.047 1.00 0.00 C ATOM 361 CZ TYR A 23 11.085 9.948 -6.539 1.00 0.00 C ATOM 362 OH TYR A 23 11.256 11.278 -6.236 1.00 0.00 O ATOM 0 H TYR A 23 8.999 5.412 -9.785 1.00 0.00 H new ATOM 0 HA TYR A 23 11.836 5.952 -9.219 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.507 5.522 -7.312 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.154 5.192 -6.811 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.032 7.914 -8.257 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.490 6.946 -5.966 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.337 10.289 -7.719 1.00 0.00 H new ATOM 0 HE2 TYR A 23 12.796 9.322 -5.424 1.00 0.00 H new ATOM 0 HH TYR A 23 12.046 11.385 -5.666 1.00 0.00 H new ATOM 372 N SER A 24 12.119 3.491 -8.205 1.00 0.00 N ATOM 373 CA SER A 24 12.531 2.096 -8.184 1.00 0.00 C ATOM 374 C SER A 24 11.660 1.255 -7.261 1.00 0.00 C ATOM 375 O SER A 24 10.890 1.777 -6.455 1.00 0.00 O ATOM 376 CB SER A 24 13.994 1.986 -7.751 1.00 0.00 C ATOM 377 OG SER A 24 14.148 2.314 -6.382 1.00 0.00 O ATOM 0 H SER A 24 12.604 4.076 -7.525 1.00 0.00 H new ATOM 0 HA SER A 24 12.414 1.709 -9.196 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.353 0.972 -7.928 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.607 2.652 -8.359 1.00 0.00 H new ATOM 0 HG SER A 24 15.092 2.234 -6.131 1.00 0.00 H new ATOM 383 N LEU A 25 11.801 -0.058 -7.403 1.00 0.00 N ATOM 384 CA LEU A 25 11.057 -1.029 -6.613 1.00 0.00 C ATOM 385 C LEU A 25 10.949 -0.620 -5.144 1.00 0.00 C ATOM 386 O LEU A 25 9.847 -0.497 -4.609 1.00 0.00 O ATOM 387 CB LEU A 25 11.742 -2.389 -6.726 1.00 0.00 C ATOM 388 CG LEU A 25 11.068 -3.370 -7.674 1.00 0.00 C ATOM 389 CD1 LEU A 25 12.102 -4.258 -8.345 1.00 0.00 C ATOM 390 CD2 LEU A 25 10.047 -4.205 -6.922 1.00 0.00 C ATOM 0 H LEU A 25 12.441 -0.481 -8.076 1.00 0.00 H new ATOM 0 HA LEU A 25 10.042 -1.079 -7.006 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.770 -2.236 -7.056 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.789 -2.839 -5.734 1.00 0.00 H new ATOM 0 HG LEU A 25 10.550 -2.808 -8.451 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.602 -4.953 -9.019 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.799 -3.641 -8.912 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.648 -4.818 -7.586 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.571 -4.904 -7.610 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.545 -4.761 -6.128 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.291 -3.551 -6.488 1.00 0.00 H new ATOM 402 N GLY A 26 12.096 -0.435 -4.496 1.00 0.00 N ATOM 403 CA GLY A 26 12.118 -0.064 -3.088 1.00 0.00 C ATOM 404 C GLY A 26 11.107 1.010 -2.721 1.00 0.00 C ATOM 405 O GLY A 26 10.541 0.984 -1.628 1.00 0.00 O ATOM 0 H GLY A 26 13.017 -0.536 -4.923 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.926 -0.952 -2.485 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.117 0.287 -2.830 1.00 0.00 H new ATOM 409 N ASN A 27 10.885 1.958 -3.626 1.00 0.00 N ATOM 410 CA ASN A 27 9.939 3.043 -3.373 1.00 0.00 C ATOM 411 C ASN A 27 8.496 2.542 -3.408 1.00 0.00 C ATOM 412 O ASN A 27 7.649 3.013 -2.650 1.00 0.00 O ATOM 413 CB ASN A 27 10.129 4.166 -4.392 1.00 0.00 C ATOM 414 CG ASN A 27 11.560 4.666 -4.440 1.00 0.00 C ATOM 415 OD1 ASN A 27 11.963 5.507 -3.635 1.00 0.00 O ATOM 416 ND2 ASN A 27 12.336 4.151 -5.385 1.00 0.00 N ATOM 0 H ASN A 27 11.343 1.999 -4.536 1.00 0.00 H new ATOM 0 HA ASN A 27 10.139 3.431 -2.374 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.838 3.810 -5.380 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.465 4.994 -4.144 1.00 0.00 H new ATOM 0 HD21 ASN A 27 13.308 4.450 -5.466 1.00 0.00 H new ATOM 0 HD22 ASN A 27 11.961 3.457 -6.031 1.00 0.00 H new ATOM 423 N TRP A 28 8.227 1.583 -4.287 1.00 0.00 N ATOM 424 CA TRP A 28 6.889 1.014 -4.419 1.00 0.00 C ATOM 425 C TRP A 28 6.530 0.168 -3.211 1.00 0.00 C ATOM 426 O TRP A 28 5.425 0.270 -2.678 1.00 0.00 O ATOM 427 CB TRP A 28 6.803 0.181 -5.688 1.00 0.00 C ATOM 428 CG TRP A 28 7.011 1.014 -6.901 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.164 1.149 -7.606 1.00 0.00 C ATOM 430 CD2 TRP A 28 6.043 1.850 -7.538 1.00 0.00 C ATOM 431 NE1 TRP A 28 7.984 2.035 -8.635 1.00 0.00 N ATOM 432 CE2 TRP A 28 6.684 2.473 -8.622 1.00 0.00 C ATOM 433 CE3 TRP A 28 4.695 2.130 -7.294 1.00 0.00 C ATOM 434 CZ2 TRP A 28 6.025 3.363 -9.465 1.00 0.00 C ATOM 435 CZ3 TRP A 28 4.037 3.011 -8.129 1.00 0.00 C ATOM 436 CH2 TRP A 28 4.702 3.620 -9.206 1.00 0.00 C ATOM 0 H TRP A 28 8.919 1.182 -4.920 1.00 0.00 H new ATOM 0 HA TRP A 28 6.174 1.835 -4.478 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.551 -0.611 -5.656 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.828 -0.304 -5.741 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.087 0.633 -7.387 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.700 2.322 -9.302 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.178 1.666 -6.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.536 3.834 -10.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.996 3.235 -7.951 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.161 4.304 -9.843 1.00 0.00 H new ATOM 447 N VAL A 29 7.464 -0.668 -2.778 1.00 0.00 N ATOM 448 CA VAL A 29 7.239 -1.527 -1.629 1.00 0.00 C ATOM 449 C VAL A 29 7.073 -0.703 -0.365 1.00 0.00 C ATOM 450 O VAL A 29 6.145 -0.913 0.408 1.00 0.00 O ATOM 451 CB VAL A 29 8.405 -2.516 -1.445 1.00 0.00 C ATOM 452 CG1 VAL A 29 8.171 -3.414 -0.239 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.605 -3.339 -2.709 1.00 0.00 C ATOM 0 H VAL A 29 8.384 -0.768 -3.207 1.00 0.00 H new ATOM 0 HA VAL A 29 6.323 -2.089 -1.813 1.00 0.00 H new ATOM 0 HB VAL A 29 9.315 -1.945 -1.261 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.008 -4.103 -0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.086 -2.802 0.659 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.251 -3.981 -0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.432 -4.033 -2.564 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.695 -3.899 -2.926 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.831 -2.675 -3.544 1.00 0.00 H new ATOM 463 N CYS A 30 7.986 0.232 -0.163 1.00 0.00 N ATOM 464 CA CYS A 30 7.954 1.093 1.006 1.00 0.00 C ATOM 465 C CYS A 30 6.642 1.876 1.083 1.00 0.00 C ATOM 466 O CYS A 30 5.990 1.916 2.132 1.00 0.00 O ATOM 467 CB CYS A 30 9.138 2.056 0.957 1.00 0.00 C ATOM 468 SG CYS A 30 9.590 2.771 2.565 1.00 0.00 S ATOM 0 H CYS A 30 8.763 0.414 -0.798 1.00 0.00 H new ATOM 0 HA CYS A 30 8.022 0.470 1.898 1.00 0.00 H new ATOM 0 HB2 CYS A 30 10.002 1.530 0.551 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.904 2.866 0.266 1.00 0.00 H new ATOM 473 N ALA A 31 6.263 2.502 -0.031 1.00 0.00 N ATOM 474 CA ALA A 31 5.040 3.293 -0.090 1.00 0.00 C ATOM 475 C ALA A 31 3.798 2.440 0.133 1.00 0.00 C ATOM 476 O ALA A 31 2.913 2.812 0.902 1.00 0.00 O ATOM 477 CB ALA A 31 4.947 4.013 -1.427 1.00 0.00 C ATOM 0 H ALA A 31 6.788 2.475 -0.905 1.00 0.00 H new ATOM 0 HA ALA A 31 5.084 4.026 0.716 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.030 4.601 -1.461 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.806 4.674 -1.545 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.939 3.281 -2.235 1.00 0.00 H new ATOM 483 N ALA A 32 3.733 1.299 -0.544 1.00 0.00 N ATOM 484 CA ALA A 32 2.590 0.401 -0.423 1.00 0.00 C ATOM 485 C ALA A 32 2.519 -0.229 0.964 1.00 0.00 C ATOM 486 O ALA A 32 1.462 -0.242 1.595 1.00 0.00 O ATOM 487 CB ALA A 32 2.655 -0.681 -1.490 1.00 0.00 C ATOM 0 H ALA A 32 4.459 0.974 -1.183 1.00 0.00 H new ATOM 0 HA ALA A 32 1.685 0.991 -0.568 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.796 -1.344 -1.388 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.642 -0.220 -2.477 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.573 -1.256 -1.370 1.00 0.00 H new ATOM 493 N LYS A 33 3.647 -0.762 1.425 1.00 0.00 N ATOM 494 CA LYS A 33 3.726 -1.409 2.730 1.00 0.00 C ATOM 495 C LYS A 33 3.051 -0.582 3.807 1.00 0.00 C ATOM 496 O LYS A 33 2.159 -1.060 4.504 1.00 0.00 O ATOM 497 CB LYS A 33 5.188 -1.641 3.115 1.00 0.00 C ATOM 498 CG LYS A 33 5.363 -2.339 4.456 1.00 0.00 C ATOM 499 CD LYS A 33 6.802 -2.265 4.938 1.00 0.00 C ATOM 500 CE LYS A 33 6.943 -2.803 6.353 1.00 0.00 C ATOM 501 NZ LYS A 33 7.189 -1.714 7.339 1.00 0.00 N ATOM 0 H LYS A 33 4.526 -0.758 0.908 1.00 0.00 H new ATOM 0 HA LYS A 33 3.205 -2.364 2.653 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.669 -2.237 2.339 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.704 -0.681 3.145 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.706 -1.880 5.195 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.061 -3.383 4.366 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.442 -2.835 4.265 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.145 -1.231 4.905 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.037 -3.344 6.628 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.765 -3.518 6.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.748 -1.962 8.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.213 -1.592 7.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.778 -0.826 6.986 1.00 0.00 H new ATOM 515 N PHE A 34 3.499 0.654 3.960 1.00 0.00 N ATOM 516 CA PHE A 34 2.943 1.526 4.983 1.00 0.00 C ATOM 517 C PHE A 34 1.596 2.101 4.587 1.00 0.00 C ATOM 518 O PHE A 34 0.841 2.568 5.441 1.00 0.00 O ATOM 519 CB PHE A 34 3.916 2.638 5.321 1.00 0.00 C ATOM 520 CG PHE A 34 4.848 2.303 6.449 1.00 0.00 C ATOM 521 CD1 PHE A 34 4.372 2.169 7.743 1.00 0.00 C ATOM 522 CD2 PHE A 34 6.203 2.121 6.216 1.00 0.00 C ATOM 523 CE1 PHE A 34 5.228 1.861 8.783 1.00 0.00 C ATOM 524 CE2 PHE A 34 7.063 1.813 7.252 1.00 0.00 C ATOM 525 CZ PHE A 34 6.575 1.683 8.537 1.00 0.00 C ATOM 0 H PHE A 34 4.238 1.073 3.396 1.00 0.00 H new ATOM 0 HA PHE A 34 2.780 0.913 5.869 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.504 2.876 4.435 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.353 3.535 5.581 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.319 2.307 7.941 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.590 2.221 5.213 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.844 1.760 9.787 1.00 0.00 H new ATOM 0 HE2 PHE A 34 8.116 1.674 7.057 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.246 1.442 9.349 1.00 0.00 H new ATOM 535 N GLU A 35 1.289 2.080 3.299 1.00 0.00 N ATOM 536 CA GLU A 35 0.030 2.614 2.809 1.00 0.00 C ATOM 537 C GLU A 35 -1.165 1.812 3.307 1.00 0.00 C ATOM 538 O GLU A 35 -2.096 2.362 3.896 1.00 0.00 O ATOM 539 CB GLU A 35 0.043 2.599 1.282 1.00 0.00 C ATOM 540 CG GLU A 35 -0.187 3.964 0.656 1.00 0.00 C ATOM 541 CD GLU A 35 0.402 4.070 -0.737 1.00 0.00 C ATOM 542 OE1 GLU A 35 1.592 4.433 -0.853 1.00 0.00 O ATOM 543 OE2 GLU A 35 -0.326 3.790 -1.711 1.00 0.00 O ATOM 0 H GLU A 35 1.896 1.698 2.574 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.072 3.631 3.187 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.001 2.209 0.939 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.726 1.912 0.928 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.258 4.164 0.611 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.254 4.731 1.293 1.00 0.00 H new ATOM 550 N SER A 36 -1.154 0.519 3.014 1.00 0.00 N ATOM 551 CA SER A 36 -2.265 -0.357 3.376 1.00 0.00 C ATOM 552 C SER A 36 -1.789 -1.635 4.051 1.00 0.00 C ATOM 553 O SER A 36 -2.527 -2.618 4.113 1.00 0.00 O ATOM 554 CB SER A 36 -3.043 -0.719 2.107 1.00 0.00 C ATOM 555 OG SER A 36 -2.153 -1.068 1.063 1.00 0.00 O ATOM 0 H SER A 36 -0.389 0.051 2.527 1.00 0.00 H new ATOM 0 HA SER A 36 -2.899 0.176 4.085 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.717 -1.551 2.311 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.661 0.124 1.799 1.00 0.00 H new ATOM 0 HG SER A 36 -1.916 -0.265 0.553 1.00 0.00 H new ATOM 561 N ASN A 37 -0.552 -1.634 4.530 1.00 0.00 N ATOM 562 CA ASN A 37 0.001 -2.823 5.163 1.00 0.00 C ATOM 563 C ASN A 37 -0.041 -3.974 4.167 1.00 0.00 C ATOM 564 O ASN A 37 -0.150 -5.137 4.541 1.00 0.00 O ATOM 565 CB ASN A 37 -0.781 -3.182 6.429 1.00 0.00 C ATOM 566 CG ASN A 37 0.046 -3.011 7.688 1.00 0.00 C ATOM 567 OD1 ASN A 37 0.345 -3.980 8.386 1.00 0.00 O ATOM 568 ND2 ASN A 37 0.420 -1.771 7.985 1.00 0.00 N ATOM 0 H ASN A 37 0.080 -0.834 4.493 1.00 0.00 H new ATOM 0 HA ASN A 37 1.032 -2.628 5.457 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.670 -2.555 6.494 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.124 -4.214 6.360 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.978 -1.593 8.820 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.149 -0.997 7.378 1.00 0.00 H new ATOM 575 N PHE A 38 0.057 -3.602 2.890 1.00 0.00 N ATOM 576 CA PHE A 38 0.047 -4.522 1.764 1.00 0.00 C ATOM 577 C PHE A 38 -1.348 -5.068 1.494 1.00 0.00 C ATOM 578 O PHE A 38 -1.498 -6.116 0.873 1.00 0.00 O ATOM 579 CB PHE A 38 1.068 -5.643 1.958 1.00 0.00 C ATOM 580 CG PHE A 38 2.479 -5.185 1.722 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.794 -4.436 0.600 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.484 -5.492 2.622 1.00 0.00 C ATOM 583 CE1 PHE A 38 4.084 -4.002 0.377 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.779 -5.060 2.404 1.00 0.00 C ATOM 585 CZ PHE A 38 5.080 -4.315 1.280 1.00 0.00 C ATOM 0 H PHE A 38 0.148 -2.626 2.608 1.00 0.00 H new ATOM 0 HA PHE A 38 0.343 -3.960 0.878 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.982 -6.037 2.971 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.837 -6.462 1.277 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.019 -4.188 -0.110 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.255 -6.074 3.502 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.314 -3.419 -0.502 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.556 -5.305 3.113 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.092 -3.978 1.108 1.00 0.00 H new ATOM 595 N ASN A 39 -2.370 -4.329 1.918 1.00 0.00 N ATOM 596 CA ASN A 39 -3.752 -4.733 1.678 1.00 0.00 C ATOM 597 C ASN A 39 -4.212 -4.200 0.330 1.00 0.00 C ATOM 598 O ASN A 39 -4.400 -2.997 0.155 1.00 0.00 O ATOM 599 CB ASN A 39 -4.666 -4.223 2.790 1.00 0.00 C ATOM 600 CG ASN A 39 -5.852 -5.137 3.026 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.406 -5.710 2.087 1.00 0.00 O ATOM 602 ND2 ASN A 39 -6.249 -5.278 4.285 1.00 0.00 N ATOM 0 H ASN A 39 -2.268 -3.451 2.427 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.804 -5.822 1.671 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.094 -4.129 3.713 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.024 -3.226 2.534 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.042 -5.880 4.505 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.761 -4.784 5.032 1.00 0.00 H new ATOM 609 N THR A 40 -4.352 -5.102 -0.630 1.00 0.00 N ATOM 610 CA THR A 40 -4.744 -4.730 -1.981 1.00 0.00 C ATOM 611 C THR A 40 -6.250 -4.815 -2.178 1.00 0.00 C ATOM 612 O THR A 40 -6.812 -4.151 -3.048 1.00 0.00 O ATOM 613 CB THR A 40 -4.050 -5.642 -3.010 1.00 0.00 C ATOM 614 OG1 THR A 40 -4.873 -6.781 -3.292 1.00 0.00 O ATOM 615 CG2 THR A 40 -2.702 -6.110 -2.487 1.00 0.00 C ATOM 0 H THR A 40 -4.199 -6.102 -0.497 1.00 0.00 H new ATOM 0 HA THR A 40 -4.435 -3.696 -2.131 1.00 0.00 H new ATOM 0 HB THR A 40 -3.895 -5.069 -3.925 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.714 -7.080 -4.212 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.227 -6.753 -3.228 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.066 -5.246 -2.296 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.845 -6.667 -1.561 1.00 0.00 H new ATOM 623 N GLN A 41 -6.894 -5.646 -1.374 1.00 0.00 N ATOM 624 CA GLN A 41 -8.333 -5.836 -1.465 1.00 0.00 C ATOM 625 C GLN A 41 -9.086 -4.907 -0.514 1.00 0.00 C ATOM 626 O GLN A 41 -10.314 -4.951 -0.437 1.00 0.00 O ATOM 627 CB GLN A 41 -8.674 -7.290 -1.153 1.00 0.00 C ATOM 628 CG GLN A 41 -8.704 -8.188 -2.379 1.00 0.00 C ATOM 629 CD GLN A 41 -9.513 -9.450 -2.158 1.00 0.00 C ATOM 630 OE1 GLN A 41 -8.998 -10.562 -2.279 1.00 0.00 O ATOM 631 NE2 GLN A 41 -10.790 -9.285 -1.830 1.00 0.00 N ATOM 0 H GLN A 41 -6.441 -6.202 -0.648 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.645 -5.591 -2.480 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.943 -7.681 -0.445 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.646 -7.328 -0.662 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.123 -7.635 -3.220 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.684 -8.458 -2.652 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.176 -8.345 -1.740 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.384 -10.098 -1.668 1.00 0.00 H new ATOM 640 N ALA A 42 -8.347 -4.084 0.223 1.00 0.00 N ATOM 641 CA ALA A 42 -8.956 -3.168 1.181 1.00 0.00 C ATOM 642 C ALA A 42 -9.264 -1.803 0.573 1.00 0.00 C ATOM 643 O ALA A 42 -8.829 -1.476 -0.533 1.00 0.00 O ATOM 644 CB ALA A 42 -8.056 -3.004 2.394 1.00 0.00 C ATOM 0 H ALA A 42 -7.329 -4.032 0.176 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.906 -3.609 1.483 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.521 -2.318 3.102 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.908 -3.973 2.871 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.092 -2.603 2.080 1.00 0.00 H new ATOM 650 N THR A 43 -10.013 -1.011 1.333 1.00 0.00 N ATOM 651 CA THR A 43 -10.401 0.337 0.935 1.00 0.00 C ATOM 652 C THR A 43 -10.201 1.295 2.110 1.00 0.00 C ATOM 653 O THR A 43 -10.295 0.884 3.267 1.00 0.00 O ATOM 654 CB THR A 43 -11.875 0.392 0.490 1.00 0.00 C ATOM 655 OG1 THR A 43 -12.730 0.485 1.636 1.00 0.00 O ATOM 656 CG2 THR A 43 -12.245 -0.839 -0.324 1.00 0.00 C ATOM 0 H THR A 43 -10.370 -1.288 2.248 1.00 0.00 H new ATOM 0 HA THR A 43 -9.774 0.631 0.093 1.00 0.00 H new ATOM 0 HB THR A 43 -12.007 1.274 -0.136 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.665 0.521 1.345 1.00 0.00 H new ATOM 0 HG21 THR A 43 -13.291 -0.775 -0.626 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.614 -0.892 -1.211 1.00 0.00 H new ATOM 0 HG23 THR A 43 -12.096 -1.733 0.281 1.00 0.00 H new ATOM 664 N ASN A 44 -9.921 2.563 1.824 1.00 0.00 N ATOM 665 CA ASN A 44 -9.708 3.547 2.887 1.00 0.00 C ATOM 666 C ASN A 44 -10.545 4.802 2.659 1.00 0.00 C ATOM 667 O ASN A 44 -10.114 5.733 1.981 1.00 0.00 O ATOM 668 CB ASN A 44 -8.227 3.919 2.977 1.00 0.00 C ATOM 669 CG ASN A 44 -7.632 3.597 4.333 1.00 0.00 C ATOM 670 OD1 ASN A 44 -7.894 4.289 5.318 1.00 0.00 O ATOM 671 ND2 ASN A 44 -6.824 2.545 4.391 1.00 0.00 N ATOM 0 H ASN A 44 -9.836 2.933 0.877 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.023 3.094 3.827 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.674 3.385 2.204 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -8.110 4.984 2.775 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.392 2.282 5.277 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -6.635 2.000 3.550 1.00 0.00 H new ATOM 678 N ARG A 45 -11.744 4.823 3.233 1.00 0.00 N ATOM 679 CA ARG A 45 -12.639 5.966 3.091 1.00 0.00 C ATOM 680 C ARG A 45 -12.108 7.179 3.849 1.00 0.00 C ATOM 681 O ARG A 45 -11.676 7.069 4.996 1.00 0.00 O ATOM 682 CB ARG A 45 -14.039 5.609 3.595 1.00 0.00 C ATOM 683 CG ARG A 45 -15.156 6.299 2.829 1.00 0.00 C ATOM 684 CD ARG A 45 -15.982 7.197 3.737 1.00 0.00 C ATOM 685 NE ARG A 45 -17.414 7.056 3.488 1.00 0.00 N ATOM 686 CZ ARG A 45 -18.194 6.196 4.135 1.00 0.00 C ATOM 687 NH1 ARG A 45 -17.682 5.404 5.069 1.00 0.00 N ATOM 688 NH2 ARG A 45 -19.488 6.128 3.852 1.00 0.00 N ATOM 0 H ARG A 45 -12.118 4.062 3.800 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.693 6.220 2.032 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -14.176 4.530 3.527 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -14.115 5.874 4.649 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -14.731 6.891 2.019 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -15.802 5.550 2.371 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -15.769 6.954 4.778 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -15.688 8.236 3.585 1.00 0.00 H new ATOM 0 HE ARG A 45 -17.840 7.651 2.777 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -16.688 5.455 5.292 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -18.283 4.745 5.564 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -19.886 6.736 3.137 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -20.085 5.467 4.350 1.00 0.00 H new ATOM 702 N ASN A 46 -12.144 8.335 3.194 1.00 0.00 N ATOM 703 CA ASN A 46 -11.668 9.576 3.797 1.00 0.00 C ATOM 704 C ASN A 46 -12.827 10.521 4.088 1.00 0.00 C ATOM 705 O ASN A 46 -13.981 10.223 3.776 1.00 0.00 O ATOM 706 CB ASN A 46 -10.657 10.260 2.877 1.00 0.00 C ATOM 707 CG ASN A 46 -9.722 9.273 2.206 1.00 0.00 C ATOM 708 OD1 ASN A 46 -9.173 8.382 2.854 1.00 0.00 O ATOM 709 ND2 ASN A 46 -9.537 9.426 0.900 1.00 0.00 N ATOM 0 H ASN A 46 -12.499 8.439 2.243 1.00 0.00 H new ATOM 0 HA ASN A 46 -11.181 9.327 4.740 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.190 10.827 2.114 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.071 10.976 3.454 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.919 8.791 0.395 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.012 10.179 0.402 1.00 0.00 H new ATOM 716 N THR A 47 -12.510 11.660 4.692 1.00 0.00 N ATOM 717 CA THR A 47 -13.518 12.655 5.033 1.00 0.00 C ATOM 718 C THR A 47 -13.801 13.586 3.858 1.00 0.00 C ATOM 719 O THR A 47 -14.886 14.156 3.754 1.00 0.00 O ATOM 720 CB THR A 47 -13.087 13.499 6.248 1.00 0.00 C ATOM 721 OG1 THR A 47 -11.798 14.077 6.009 1.00 0.00 O ATOM 722 CG2 THR A 47 -13.041 12.649 7.508 1.00 0.00 C ATOM 0 H THR A 47 -11.559 11.918 4.956 1.00 0.00 H new ATOM 0 HA THR A 47 -14.426 12.106 5.282 1.00 0.00 H new ATOM 0 HB THR A 47 -13.821 14.292 6.391 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.531 14.613 6.785 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.734 13.266 8.352 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.030 12.233 7.703 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.326 11.837 7.373 1.00 0.00 H new ATOM 730 N ASP A 48 -12.817 13.736 2.976 1.00 0.00 N ATOM 731 CA ASP A 48 -12.964 14.600 1.808 1.00 0.00 C ATOM 732 C ASP A 48 -13.954 14.004 0.811 1.00 0.00 C ATOM 733 O ASP A 48 -14.386 14.677 -0.126 1.00 0.00 O ATOM 734 CB ASP A 48 -11.608 14.819 1.134 1.00 0.00 C ATOM 735 CG ASP A 48 -10.871 13.520 0.874 1.00 0.00 C ATOM 736 OD1 ASP A 48 -11.507 12.449 0.957 1.00 0.00 O ATOM 737 OD2 ASP A 48 -9.656 13.574 0.588 1.00 0.00 O ATOM 0 H ASP A 48 -11.911 13.272 3.047 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.352 15.561 2.145 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.756 15.344 0.190 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.993 15.462 1.764 1.00 0.00 H new ATOM 742 N GLY A 49 -14.312 12.742 1.023 1.00 0.00 N ATOM 743 CA GLY A 49 -15.253 12.079 0.140 1.00 0.00 C ATOM 744 C GLY A 49 -14.620 10.961 -0.666 1.00 0.00 C ATOM 745 O GLY A 49 -15.299 10.010 -1.055 1.00 0.00 O ATOM 0 H GLY A 49 -13.967 12.166 1.791 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -16.074 11.674 0.731 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -15.683 12.813 -0.542 1.00 0.00 H new ATOM 749 N SER A 50 -13.320 11.072 -0.920 1.00 0.00 N ATOM 750 CA SER A 50 -12.607 10.056 -1.687 1.00 0.00 C ATOM 751 C SER A 50 -12.332 8.822 -0.834 1.00 0.00 C ATOM 752 O SER A 50 -12.768 8.740 0.314 1.00 0.00 O ATOM 753 CB SER A 50 -11.295 10.617 -2.239 1.00 0.00 C ATOM 754 OG SER A 50 -10.745 11.588 -1.367 1.00 0.00 O ATOM 0 H SER A 50 -12.741 11.851 -0.608 1.00 0.00 H new ATOM 0 HA SER A 50 -13.241 9.763 -2.523 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.581 9.806 -2.381 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.470 11.062 -3.218 1.00 0.00 H new ATOM 0 HG SER A 50 -11.087 11.444 -0.460 1.00 0.00 H new ATOM 760 N THR A 51 -11.605 7.868 -1.404 1.00 0.00 N ATOM 761 CA THR A 51 -11.266 6.634 -0.704 1.00 0.00 C ATOM 762 C THR A 51 -10.076 5.951 -1.377 1.00 0.00 C ATOM 763 O THR A 51 -9.864 6.110 -2.576 1.00 0.00 O ATOM 764 CB THR A 51 -12.468 5.667 -0.677 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.533 6.232 0.098 1.00 0.00 O ATOM 766 CG2 THR A 51 -12.082 4.314 -0.097 1.00 0.00 C ATOM 0 H THR A 51 -11.237 7.926 -2.354 1.00 0.00 H new ATOM 0 HA THR A 51 -11.002 6.893 0.321 1.00 0.00 H new ATOM 0 HB THR A 51 -12.797 5.517 -1.705 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.243 7.088 0.478 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.953 3.658 -0.093 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.295 3.869 -0.705 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.722 4.445 0.923 1.00 0.00 H new ATOM 774 N ASP A 52 -9.309 5.183 -0.609 1.00 0.00 N ATOM 775 CA ASP A 52 -8.152 4.473 -1.147 1.00 0.00 C ATOM 776 C ASP A 52 -8.506 3.032 -1.430 1.00 0.00 C ATOM 777 O ASP A 52 -8.487 2.185 -0.536 1.00 0.00 O ATOM 778 CB ASP A 52 -6.977 4.549 -0.172 1.00 0.00 C ATOM 779 CG ASP A 52 -6.617 5.977 0.187 1.00 0.00 C ATOM 780 OD1 ASP A 52 -6.347 6.772 -0.738 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.604 6.300 1.394 1.00 0.00 O ATOM 0 H ASP A 52 -9.467 5.036 0.388 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.857 4.950 -2.082 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.226 4.000 0.736 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.110 4.058 -0.613 1.00 0.00 H new ATOM 786 N TYR A 53 -8.839 2.760 -2.682 1.00 0.00 N ATOM 787 CA TYR A 53 -9.209 1.423 -3.079 1.00 0.00 C ATOM 788 C TYR A 53 -8.009 0.620 -3.559 1.00 0.00 C ATOM 789 O TYR A 53 -7.734 0.534 -4.756 1.00 0.00 O ATOM 790 CB TYR A 53 -10.285 1.446 -4.158 1.00 0.00 C ATOM 791 CG TYR A 53 -11.600 2.031 -3.698 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.574 1.227 -3.119 1.00 0.00 C ATOM 793 CD2 TYR A 53 -11.871 3.384 -3.848 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.781 1.755 -2.702 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.076 3.919 -3.433 1.00 0.00 C ATOM 796 CZ TYR A 53 -14.027 3.102 -2.861 1.00 0.00 C ATOM 797 OH TYR A 53 -15.227 3.631 -2.447 1.00 0.00 O ATOM 0 H TYR A 53 -8.859 3.449 -3.434 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.611 0.933 -2.192 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -9.920 2.021 -5.009 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.454 0.429 -4.510 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -12.385 0.171 -2.993 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.129 4.029 -4.296 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -14.527 1.116 -2.254 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -13.272 4.974 -3.557 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.240 4.594 -2.630 1.00 0.00 H new ATOM 807 N GLY A 54 -7.323 0.015 -2.607 1.00 0.00 N ATOM 808 CA GLY A 54 -6.189 -0.827 -2.954 1.00 0.00 C ATOM 809 C GLY A 54 -4.976 -0.720 -2.057 1.00 0.00 C ATOM 810 O GLY A 54 -4.969 0.002 -1.058 1.00 0.00 O ATOM 0 H GLY A 54 -7.523 0.086 -1.609 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.522 -1.865 -2.957 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.884 -0.587 -3.972 1.00 0.00 H new ATOM 814 N ILE A 55 -3.941 -1.460 -2.453 1.00 0.00 N ATOM 815 CA ILE A 55 -2.670 -1.500 -1.744 1.00 0.00 C ATOM 816 C ILE A 55 -1.846 -0.260 -2.067 1.00 0.00 C ATOM 817 O ILE A 55 -0.927 0.102 -1.333 1.00 0.00 O ATOM 818 CB ILE A 55 -1.859 -2.751 -2.145 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.661 -2.941 -1.215 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.399 -2.632 -3.592 1.00 0.00 C ATOM 821 CD1 ILE A 55 0.194 -4.139 -1.571 1.00 0.00 C ATOM 0 H ILE A 55 -3.965 -2.053 -3.283 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.885 -1.535 -0.676 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.501 -3.627 -2.051 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.044 -2.043 -1.242 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.019 -3.051 -0.191 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.828 -3.519 -3.866 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.268 -2.544 -4.244 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.772 -1.748 -3.703 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.026 -4.214 -0.870 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.409 -5.045 -1.516 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.582 -4.022 -2.583 1.00 0.00 H new ATOM 833 N LEU A 56 -2.203 0.398 -3.167 1.00 0.00 N ATOM 834 CA LEU A 56 -1.521 1.613 -3.590 1.00 0.00 C ATOM 835 C LEU A 56 -2.469 2.796 -3.456 1.00 0.00 C ATOM 836 O LEU A 56 -2.149 3.912 -3.863 1.00 0.00 O ATOM 837 CB LEU A 56 -1.019 1.494 -5.037 1.00 0.00 C ATOM 838 CG LEU A 56 0.482 1.763 -5.240 1.00 0.00 C ATOM 839 CD1 LEU A 56 0.931 2.970 -4.428 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.295 0.534 -4.862 1.00 0.00 C ATOM 0 H LEU A 56 -2.963 0.107 -3.782 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.652 1.766 -2.950 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.243 0.491 -5.400 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.583 2.191 -5.657 1.00 0.00 H new ATOM 0 HG LEU A 56 0.651 1.982 -6.294 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.996 3.140 -4.588 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.371 3.850 -4.744 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.748 2.785 -3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.355 0.739 -5.011 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.116 0.287 -3.815 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.997 -0.306 -5.489 1.00 0.00 H new ATOM 852 N GLN A 57 -3.636 2.537 -2.864 1.00 0.00 N ATOM 853 CA GLN A 57 -4.646 3.566 -2.648 1.00 0.00 C ATOM 854 C GLN A 57 -5.180 4.124 -3.962 1.00 0.00 C ATOM 855 O GLN A 57 -4.890 5.268 -4.313 1.00 0.00 O ATOM 856 CB GLN A 57 -4.068 4.700 -1.797 1.00 0.00 C ATOM 857 CG GLN A 57 -3.504 4.235 -0.465 1.00 0.00 C ATOM 858 CD GLN A 57 -3.406 5.356 0.550 1.00 0.00 C ATOM 859 OE1 GLN A 57 -3.972 5.273 1.640 1.00 0.00 O ATOM 860 NE2 GLN A 57 -2.685 6.413 0.196 1.00 0.00 N ATOM 0 H GLN A 57 -3.904 1.613 -2.524 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.480 3.102 -2.122 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.281 5.201 -2.360 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.848 5.439 -1.614 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.135 3.442 -0.065 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.515 3.806 -0.624 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.233 6.439 -0.718 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.583 7.199 0.838 1.00 0.00 H new ATOM 869 N ILE A 58 -5.969 3.330 -4.688 1.00 0.00 N ATOM 870 CA ILE A 58 -6.525 3.790 -5.946 1.00 0.00 C ATOM 871 C ILE A 58 -7.836 4.507 -5.697 1.00 0.00 C ATOM 872 O ILE A 58 -8.893 3.879 -5.623 1.00 0.00 O ATOM 873 CB ILE A 58 -6.762 2.629 -6.930 1.00 0.00 C ATOM 874 CG1 ILE A 58 -5.608 1.623 -6.865 1.00 0.00 C ATOM 875 CG2 ILE A 58 -6.932 3.163 -8.345 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.235 2.254 -6.979 1.00 0.00 C ATOM 0 H ILE A 58 -6.230 2.380 -4.425 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.801 4.471 -6.394 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.678 2.113 -6.644 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.669 1.076 -5.924 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.729 0.894 -7.666 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.099 2.332 -9.030 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.787 3.838 -8.379 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.032 3.702 -8.641 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.472 1.477 -6.924 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.153 2.777 -7.932 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.091 2.962 -6.163 1.00 0.00 H new ATOM 888 N ASN A 59 -7.767 5.822 -5.562 1.00 0.00 N ATOM 889 CA ASN A 59 -8.955 6.614 -5.317 1.00 0.00 C ATOM 890 C ASN A 59 -9.934 6.462 -6.470 1.00 0.00 C ATOM 891 O ASN A 59 -9.772 7.089 -7.516 1.00 0.00 O ATOM 892 CB ASN A 59 -8.583 8.086 -5.134 1.00 0.00 C ATOM 893 CG ASN A 59 -9.783 8.948 -4.796 1.00 0.00 C ATOM 894 OD1 ASN A 59 -10.833 8.443 -4.400 1.00 0.00 O ATOM 895 ND2 ASN A 59 -9.633 10.258 -4.951 1.00 0.00 N ATOM 0 H ASN A 59 -6.902 6.359 -5.618 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.429 6.257 -4.403 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.841 8.174 -4.341 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.119 8.457 -6.048 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.406 10.888 -4.739 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.744 10.634 -5.282 1.00 0.00 H new ATOM 902 N SER A 60 -10.950 5.631 -6.278 1.00 0.00 N ATOM 903 CA SER A 60 -11.955 5.406 -7.313 1.00 0.00 C ATOM 904 C SER A 60 -12.730 6.687 -7.617 1.00 0.00 C ATOM 905 O SER A 60 -13.543 6.723 -8.541 1.00 0.00 O ATOM 906 CB SER A 60 -12.924 4.302 -6.889 1.00 0.00 C ATOM 907 OG SER A 60 -14.032 4.836 -6.186 1.00 0.00 O ATOM 0 H SER A 60 -11.101 5.102 -5.419 1.00 0.00 H new ATOM 0 HA SER A 60 -11.434 5.095 -8.219 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.274 3.763 -7.770 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.404 3.580 -6.259 1.00 0.00 H new ATOM 0 HG SER A 60 -13.931 4.654 -5.228 1.00 0.00 H new ATOM 913 N ARG A 61 -12.472 7.738 -6.842 1.00 0.00 N ATOM 914 CA ARG A 61 -13.143 9.016 -7.043 1.00 0.00 C ATOM 915 C ARG A 61 -12.367 9.878 -8.034 1.00 0.00 C ATOM 916 O ARG A 61 -12.934 10.407 -8.991 1.00 0.00 O ATOM 917 CB ARG A 61 -13.293 9.756 -5.713 1.00 0.00 C ATOM 918 CG ARG A 61 -14.386 10.811 -5.722 1.00 0.00 C ATOM 919 CD ARG A 61 -13.845 12.177 -5.332 1.00 0.00 C ATOM 920 NE ARG A 61 -14.241 13.214 -6.280 1.00 0.00 N ATOM 921 CZ ARG A 61 -14.492 14.474 -5.934 1.00 0.00 C ATOM 922 NH1 ARG A 61 -14.385 14.852 -4.667 1.00 0.00 N ATOM 923 NH2 ARG A 61 -14.848 15.358 -6.857 1.00 0.00 N ATOM 0 H ARG A 61 -11.804 7.728 -6.071 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.135 8.820 -7.451 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.505 9.032 -4.926 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.344 10.230 -5.462 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.833 10.865 -6.715 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.178 10.522 -5.032 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.205 12.439 -4.337 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.757 12.133 -5.276 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.330 12.958 -7.263 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.110 14.176 -3.955 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -14.578 15.819 -4.405 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -14.929 15.072 -7.833 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -15.040 16.324 -6.591 1.00 0.00 H new ATOM 937 N TRP A 62 -11.065 10.005 -7.801 1.00 0.00 N ATOM 938 CA TRP A 62 -10.204 10.792 -8.675 1.00 0.00 C ATOM 939 C TRP A 62 -9.678 9.935 -9.821 1.00 0.00 C ATOM 940 O TRP A 62 -9.117 10.449 -10.788 1.00 0.00 O ATOM 941 CB TRP A 62 -9.035 11.380 -7.883 1.00 0.00 C ATOM 942 CG TRP A 62 -8.999 12.879 -7.902 1.00 0.00 C ATOM 943 CD1 TRP A 62 -9.914 13.728 -7.350 1.00 0.00 C ATOM 944 CD2 TRP A 62 -7.996 13.704 -8.504 1.00 0.00 C ATOM 945 NE1 TRP A 62 -9.541 15.032 -7.572 1.00 0.00 N ATOM 946 CE2 TRP A 62 -8.367 15.044 -8.278 1.00 0.00 C ATOM 947 CE3 TRP A 62 -6.819 13.441 -9.212 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -7.603 16.115 -8.735 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -6.062 14.505 -9.664 1.00 0.00 C ATOM 950 CH2 TRP A 62 -6.457 15.828 -9.424 1.00 0.00 C ATOM 0 H TRP A 62 -10.583 9.572 -7.013 1.00 0.00 H new ATOM 0 HA TRP A 62 -10.794 11.609 -9.091 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -9.097 11.038 -6.850 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.100 10.996 -8.290 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -10.801 13.420 -6.817 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -10.055 15.857 -7.262 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -6.507 12.425 -9.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -7.905 17.136 -8.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -5.151 14.314 -10.211 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.844 16.638 -9.791 1.00 0.00 H new ATOM 961 N TRP A 63 -9.877 8.624 -9.706 1.00 0.00 N ATOM 962 CA TRP A 63 -9.437 7.682 -10.730 1.00 0.00 C ATOM 963 C TRP A 63 -10.483 6.596 -10.939 1.00 0.00 C ATOM 964 O TRP A 63 -11.275 6.313 -10.046 1.00 0.00 O ATOM 965 CB TRP A 63 -8.112 7.022 -10.334 1.00 0.00 C ATOM 966 CG TRP A 63 -7.045 7.991 -9.933 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.439 8.104 -8.714 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.457 8.983 -10.767 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.502 9.110 -8.748 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.497 9.667 -10.001 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.655 9.354 -12.091 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -4.734 10.708 -10.526 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -5.908 10.382 -12.613 1.00 0.00 C ATOM 974 CH2 TRP A 63 -4.953 11.053 -11.834 1.00 0.00 C ATOM 0 H TRP A 63 -10.343 8.189 -8.909 1.00 0.00 H new ATOM 0 HA TRP A 63 -9.298 8.242 -11.655 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.293 6.335 -9.508 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -7.751 6.426 -11.172 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.663 7.494 -7.851 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -4.908 9.395 -7.969 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.385 8.842 -12.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -3.999 11.223 -9.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.058 10.679 -13.640 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.380 11.856 -12.273 1.00 0.00 H new ATOM 985 N CYS A 64 -10.441 5.969 -12.112 1.00 0.00 N ATOM 986 CA CYS A 64 -11.347 4.875 -12.467 1.00 0.00 C ATOM 987 C CYS A 64 -12.815 5.181 -12.184 1.00 0.00 C ATOM 988 O CYS A 64 -13.157 5.959 -11.297 1.00 0.00 O ATOM 989 CB CYS A 64 -10.937 3.592 -11.735 1.00 0.00 C ATOM 990 SG CYS A 64 -11.631 3.418 -10.055 1.00 0.00 S ATOM 0 H CYS A 64 -9.775 6.205 -12.848 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.257 4.743 -13.545 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.247 2.734 -12.332 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.849 3.559 -11.670 1.00 0.00 H new ATOM 995 N ASN A 65 -13.686 4.541 -12.958 1.00 0.00 N ATOM 996 CA ASN A 65 -15.123 4.721 -12.799 1.00 0.00 C ATOM 997 C ASN A 65 -15.698 3.631 -11.899 1.00 0.00 C ATOM 998 O ASN A 65 -15.823 2.477 -12.309 1.00 0.00 O ATOM 999 CB ASN A 65 -15.818 4.696 -14.162 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.287 5.058 -14.069 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -18.143 4.191 -13.899 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -17.586 6.347 -14.181 1.00 0.00 N ATOM 0 H ASN A 65 -13.421 3.894 -13.701 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.299 5.691 -12.333 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.317 5.392 -14.835 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.719 3.703 -14.599 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.558 6.652 -14.127 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -16.844 7.032 -14.321 1.00 0.00 H new ATOM 1009 N ASP A 66 -16.036 4.002 -10.669 1.00 0.00 N ATOM 1010 CA ASP A 66 -16.587 3.052 -9.709 1.00 0.00 C ATOM 1011 C ASP A 66 -18.113 3.078 -9.716 1.00 0.00 C ATOM 1012 O ASP A 66 -18.759 2.080 -9.396 1.00 0.00 O ATOM 1013 CB ASP A 66 -16.063 3.355 -8.304 1.00 0.00 C ATOM 1014 CG ASP A 66 -16.651 4.628 -7.728 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -16.459 5.700 -8.340 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -17.306 4.552 -6.667 1.00 0.00 O ATOM 0 H ASP A 66 -15.938 4.953 -10.313 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.265 2.053 -10.004 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.297 2.519 -7.644 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.977 3.442 -8.336 1.00 0.00 H new ATOM 1021 N GLY A 67 -18.684 4.221 -10.084 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.130 4.346 -10.129 1.00 0.00 C ATOM 1023 C GLY A 67 -20.760 4.442 -8.751 1.00 0.00 C ATOM 1024 O GLY A 67 -21.914 4.851 -8.619 1.00 0.00 O ATOM 0 H GLY A 67 -18.172 5.062 -10.351 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.395 5.232 -10.706 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.547 3.487 -10.654 1.00 0.00 H new ATOM 1028 N ARG A 68 -20.008 4.063 -7.723 1.00 0.00 N ATOM 1029 CA ARG A 68 -20.507 4.107 -6.353 1.00 0.00 C ATOM 1030 C ARG A 68 -20.257 5.473 -5.723 1.00 0.00 C ATOM 1031 O ARG A 68 -20.724 5.753 -4.619 1.00 0.00 O ATOM 1032 CB ARG A 68 -19.845 3.015 -5.511 1.00 0.00 C ATOM 1033 CG ARG A 68 -20.764 1.848 -5.196 1.00 0.00 C ATOM 1034 CD ARG A 68 -20.530 0.683 -6.145 1.00 0.00 C ATOM 1035 NE ARG A 68 -20.629 -0.606 -5.466 1.00 0.00 N ATOM 1036 CZ ARG A 68 -20.830 -1.759 -6.097 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -20.952 -1.784 -7.417 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -20.907 -2.888 -5.407 1.00 0.00 N ATOM 0 H ARG A 68 -19.051 3.722 -7.812 1.00 0.00 H new ATOM 0 HA ARG A 68 -21.583 3.933 -6.381 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -18.967 2.643 -6.039 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -19.493 3.452 -4.576 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -20.600 1.521 -4.169 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -21.802 2.172 -5.265 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -21.259 0.723 -6.954 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -19.544 0.778 -6.599 1.00 0.00 H new ATOM 0 HE ARG A 68 -20.539 -0.623 -4.450 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -20.892 -0.917 -7.951 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -21.106 -2.670 -7.898 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -20.812 -2.873 -4.392 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -21.061 -3.772 -5.891 1.00 0.00 H new ATOM 1052 N THR A 69 -19.518 6.320 -6.432 1.00 0.00 N ATOM 1053 CA THR A 69 -19.206 7.657 -5.942 1.00 0.00 C ATOM 1054 C THR A 69 -19.652 8.724 -6.939 1.00 0.00 C ATOM 1055 O THR A 69 -18.971 8.978 -7.932 1.00 0.00 O ATOM 1056 CB THR A 69 -17.699 7.820 -5.672 1.00 0.00 C ATOM 1057 OG1 THR A 69 -17.203 6.684 -4.953 1.00 0.00 O ATOM 1058 CG2 THR A 69 -17.426 9.087 -4.875 1.00 0.00 C ATOM 0 H THR A 69 -19.124 6.104 -7.348 1.00 0.00 H new ATOM 0 HA THR A 69 -19.750 7.786 -5.006 1.00 0.00 H new ATOM 0 HB THR A 69 -17.187 7.894 -6.632 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.180 5.905 -5.547 1.00 0.00 H new ATOM 0 HG21 THR A 69 -16.355 9.181 -4.696 1.00 0.00 H new ATOM 0 HG22 THR A 69 -17.777 9.953 -5.436 1.00 0.00 H new ATOM 0 HG23 THR A 69 -17.950 9.036 -3.920 1.00 0.00 H new ATOM 1066 N PRO A 70 -20.807 9.366 -6.686 1.00 0.00 N ATOM 1067 CA PRO A 70 -21.341 10.410 -7.568 1.00 0.00 C ATOM 1068 C PRO A 70 -20.331 11.524 -7.822 1.00 0.00 C ATOM 1069 O PRO A 70 -20.147 12.412 -6.988 1.00 0.00 O ATOM 1070 CB PRO A 70 -22.548 10.950 -6.797 1.00 0.00 C ATOM 1071 CG PRO A 70 -22.953 9.838 -5.894 1.00 0.00 C ATOM 1072 CD PRO A 70 -21.683 9.125 -5.524 1.00 0.00 C ATOM 0 HA PRO A 70 -21.591 10.019 -8.554 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -22.287 11.844 -6.231 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.358 11.225 -7.473 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -23.459 10.219 -5.007 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -23.649 9.163 -6.393 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -21.251 9.523 -4.606 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -21.852 8.060 -5.362 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.677 11.469 -8.978 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.693 12.479 -9.322 1.00 0.00 C ATOM 1082 C GLY A 71 -17.387 11.877 -9.804 1.00 0.00 C ATOM 1083 O GLY A 71 -16.362 12.558 -9.847 1.00 0.00 O ATOM 0 H GLY A 71 -19.811 10.743 -9.682 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -19.099 13.127 -10.098 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.501 13.106 -8.451 1.00 0.00 H new ATOM 1087 N SER A 72 -17.422 10.599 -10.171 1.00 0.00 N ATOM 1088 CA SER A 72 -16.233 9.908 -10.655 1.00 0.00 C ATOM 1089 C SER A 72 -15.704 10.568 -11.924 1.00 0.00 C ATOM 1090 O SER A 72 -16.412 10.663 -12.927 1.00 0.00 O ATOM 1091 CB SER A 72 -16.546 8.435 -10.924 1.00 0.00 C ATOM 1092 OG SER A 72 -15.446 7.609 -10.583 1.00 0.00 O ATOM 0 H SER A 72 -18.262 10.021 -10.142 1.00 0.00 H new ATOM 0 HA SER A 72 -15.465 9.972 -9.884 1.00 0.00 H new ATOM 0 HB2 SER A 72 -17.422 8.135 -10.349 1.00 0.00 H new ATOM 0 HB3 SER A 72 -16.794 8.299 -11.977 1.00 0.00 H new ATOM 0 HG SER A 72 -15.712 6.986 -9.875 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.457 11.026 -11.872 1.00 0.00 N ATOM 1099 CA ARG A 73 -13.835 11.681 -13.018 1.00 0.00 C ATOM 1100 C ARG A 73 -13.544 10.681 -14.132 1.00 0.00 C ATOM 1101 O ARG A 73 -13.757 10.974 -15.309 1.00 0.00 O ATOM 1102 CB ARG A 73 -12.541 12.376 -12.591 1.00 0.00 C ATOM 1103 CG ARG A 73 -12.342 13.740 -13.234 1.00 0.00 C ATOM 1104 CD ARG A 73 -13.077 14.829 -12.469 1.00 0.00 C ATOM 1105 NE ARG A 73 -14.351 15.172 -13.093 1.00 0.00 N ATOM 1106 CZ ARG A 73 -15.454 15.464 -12.409 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -15.437 15.456 -11.083 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -16.574 15.766 -13.050 1.00 0.00 N ATOM 0 H ARG A 73 -13.858 10.956 -11.050 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.534 12.425 -13.400 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.541 12.491 -11.507 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.695 11.737 -12.844 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -11.278 13.974 -13.271 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -12.698 13.713 -14.264 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -13.252 14.498 -11.446 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.450 15.719 -12.413 1.00 0.00 H new ATOM 0 HE ARG A 73 -14.398 15.189 -14.112 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -14.577 15.226 -10.585 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -16.284 15.680 -10.561 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -16.591 15.775 -14.070 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -17.419 15.990 -12.524 1.00 0.00 H new ATOM 1122 N ASN A 74 -13.045 9.506 -13.751 1.00 0.00 N ATOM 1123 CA ASN A 74 -12.708 8.460 -14.713 1.00 0.00 C ATOM 1124 C ASN A 74 -11.506 8.889 -15.540 1.00 0.00 C ATOM 1125 O ASN A 74 -11.405 8.589 -16.730 1.00 0.00 O ATOM 1126 CB ASN A 74 -13.899 8.153 -15.627 1.00 0.00 C ATOM 1127 CG ASN A 74 -13.795 6.787 -16.277 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.309 5.834 -15.668 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -14.251 6.686 -17.519 1.00 0.00 N ATOM 0 H ASN A 74 -12.865 9.255 -12.779 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.460 7.551 -14.165 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.821 8.207 -15.048 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.964 8.917 -16.402 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.207 5.792 -18.007 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.646 7.503 -17.985 1.00 0.00 H new ATOM 1136 N LEU A 75 -10.585 9.576 -14.877 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.365 10.046 -15.489 1.00 0.00 C ATOM 1138 C LEU A 75 -8.553 8.892 -16.004 1.00 0.00 C ATOM 1139 O LEU A 75 -8.145 8.826 -17.163 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.557 10.742 -14.419 1.00 0.00 C ATOM 1141 CG LEU A 75 -8.748 12.255 -14.336 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -8.057 12.821 -13.105 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -8.235 12.932 -15.599 1.00 0.00 C ATOM 0 H LEU A 75 -10.672 9.821 -13.891 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.607 10.711 -16.318 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.813 10.307 -13.453 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.501 10.535 -14.592 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.816 12.457 -14.249 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.207 13.900 -13.067 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.478 12.365 -12.209 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.990 12.605 -13.155 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.381 14.009 -15.519 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.173 12.717 -15.721 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.783 12.555 -16.462 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.343 7.992 -15.086 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.600 6.793 -15.319 1.00 0.00 C ATOM 1157 C CYS A 76 -8.354 5.901 -16.295 1.00 0.00 C ATOM 1158 O CYS A 76 -7.755 5.193 -17.107 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.418 6.116 -13.983 1.00 0.00 C ATOM 1160 SG CYS A 76 -5.733 5.517 -13.655 1.00 0.00 S ATOM 0 H CYS A 76 -8.694 8.077 -14.132 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.627 7.006 -15.762 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.700 6.815 -13.196 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.106 5.273 -13.922 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.681 5.945 -16.196 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.544 5.143 -17.054 1.00 0.00 C ATOM 1167 C ASN A 77 -10.167 3.679 -16.927 1.00 0.00 C ATOM 1168 O ASN A 77 -9.909 2.997 -17.919 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.427 5.598 -18.510 1.00 0.00 C ATOM 1170 CG ASN A 77 -11.755 5.549 -19.241 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -12.443 4.529 -19.233 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -12.121 6.656 -19.877 1.00 0.00 N ATOM 0 H ASN A 77 -10.181 6.530 -15.527 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.579 5.275 -16.739 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.037 6.615 -18.539 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.707 4.965 -19.029 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.005 6.683 -20.386 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.518 7.479 -19.857 1.00 0.00 H new ATOM 1179 N ILE A 78 -10.117 3.211 -15.687 1.00 0.00 N ATOM 1180 CA ILE A 78 -9.746 1.835 -15.410 1.00 0.00 C ATOM 1181 C ILE A 78 -10.800 1.128 -14.563 1.00 0.00 C ATOM 1182 O ILE A 78 -11.588 1.774 -13.877 1.00 0.00 O ATOM 1183 CB ILE A 78 -8.385 1.768 -14.683 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -8.581 1.543 -13.173 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -7.601 3.039 -14.951 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -7.555 2.231 -12.299 1.00 0.00 C ATOM 0 H ILE A 78 -10.329 3.767 -14.858 1.00 0.00 H new ATOM 0 HA ILE A 78 -9.671 1.327 -16.372 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.818 0.920 -15.068 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.574 1.894 -12.892 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.553 0.472 -12.971 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.641 2.990 -14.437 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.434 3.144 -16.023 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.164 3.898 -14.586 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.769 2.019 -11.251 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.560 1.863 -12.548 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.597 3.307 -12.467 1.00 0.00 H new ATOM 1198 N PRO A 79 -10.808 -0.214 -14.572 1.00 0.00 N ATOM 1199 CA PRO A 79 -11.744 -0.985 -13.767 1.00 0.00 C ATOM 1200 C PRO A 79 -11.259 -1.049 -12.323 1.00 0.00 C ATOM 1201 O PRO A 79 -10.236 -1.671 -12.032 1.00 0.00 O ATOM 1202 CB PRO A 79 -11.712 -2.364 -14.421 1.00 0.00 C ATOM 1203 CG PRO A 79 -10.336 -2.481 -14.987 1.00 0.00 C ATOM 1204 CD PRO A 79 -9.891 -1.083 -15.337 1.00 0.00 C ATOM 0 HA PRO A 79 -12.747 -0.560 -13.732 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -11.910 -3.152 -13.694 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.470 -2.451 -15.200 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -9.657 -2.934 -14.264 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -10.334 -3.120 -15.870 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -8.852 -0.913 -15.055 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -9.966 -0.897 -16.408 1.00 0.00 H new ATOM 1212 N CYS A 80 -11.975 -0.382 -11.427 1.00 0.00 N ATOM 1213 CA CYS A 80 -11.592 -0.341 -10.022 1.00 0.00 C ATOM 1214 C CYS A 80 -11.601 -1.733 -9.390 1.00 0.00 C ATOM 1215 O CYS A 80 -10.571 -2.211 -8.922 1.00 0.00 O ATOM 1216 CB CYS A 80 -12.519 0.608 -9.261 1.00 0.00 C ATOM 1217 SG CYS A 80 -13.099 2.024 -10.257 1.00 0.00 S ATOM 0 H CYS A 80 -12.824 0.138 -11.648 1.00 0.00 H new ATOM 0 HA CYS A 80 -10.569 0.031 -9.960 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -13.383 0.048 -8.904 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -11.997 0.984 -8.381 1.00 0.00 H new ATOM 1222 N SER A 81 -12.768 -2.370 -9.363 1.00 0.00 N ATOM 1223 CA SER A 81 -12.903 -3.702 -8.770 1.00 0.00 C ATOM 1224 C SER A 81 -11.876 -4.688 -9.332 1.00 0.00 C ATOM 1225 O SER A 81 -11.506 -5.653 -8.664 1.00 0.00 O ATOM 1226 CB SER A 81 -14.316 -4.240 -9.005 1.00 0.00 C ATOM 1227 OG SER A 81 -14.506 -4.600 -10.363 1.00 0.00 O ATOM 0 H SER A 81 -13.634 -1.988 -9.743 1.00 0.00 H new ATOM 0 HA SER A 81 -12.718 -3.602 -7.700 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.489 -5.108 -8.368 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.048 -3.484 -8.720 1.00 0.00 H new ATOM 0 HG SER A 81 -15.416 -4.942 -10.486 1.00 0.00 H new ATOM 1233 N ALA A 82 -11.425 -4.449 -10.561 1.00 0.00 N ATOM 1234 CA ALA A 82 -10.447 -5.327 -11.203 1.00 0.00 C ATOM 1235 C ALA A 82 -9.089 -5.269 -10.506 1.00 0.00 C ATOM 1236 O ALA A 82 -8.168 -6.005 -10.860 1.00 0.00 O ATOM 1237 CB ALA A 82 -10.301 -4.967 -12.673 1.00 0.00 C ATOM 0 H ALA A 82 -11.720 -3.657 -11.132 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.817 -6.349 -11.119 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.570 -5.628 -13.139 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.263 -5.080 -13.173 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.965 -3.934 -12.763 1.00 0.00 H new ATOM 1243 N LEU A 83 -8.973 -4.393 -9.516 1.00 0.00 N ATOM 1244 CA LEU A 83 -7.727 -4.240 -8.771 1.00 0.00 C ATOM 1245 C LEU A 83 -7.872 -4.762 -7.347 1.00 0.00 C ATOM 1246 O LEU A 83 -6.884 -4.926 -6.632 1.00 0.00 O ATOM 1247 CB LEU A 83 -7.289 -2.771 -8.751 1.00 0.00 C ATOM 1248 CG LEU A 83 -7.873 -1.923 -7.617 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -6.902 -1.851 -6.448 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -8.208 -0.526 -8.117 1.00 0.00 C ATOM 0 H LEU A 83 -9.726 -3.777 -9.209 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.962 -4.830 -9.276 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.202 -2.735 -8.685 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.565 -2.315 -9.702 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.792 -2.397 -7.271 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.335 -1.244 -5.652 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.708 -2.856 -6.073 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.966 -1.401 -6.779 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.622 0.064 -7.299 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.303 -0.046 -8.489 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.940 -0.593 -8.922 1.00 0.00 H new ATOM 1262 N LEU A 84 -9.110 -5.004 -6.934 1.00 0.00 N ATOM 1263 CA LEU A 84 -9.386 -5.488 -5.588 1.00 0.00 C ATOM 1264 C LEU A 84 -9.659 -6.988 -5.581 1.00 0.00 C ATOM 1265 O LEU A 84 -10.517 -7.472 -4.843 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.574 -4.724 -5.012 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.714 -3.298 -5.541 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -12.155 -2.828 -5.455 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.792 -2.356 -4.782 1.00 0.00 C ATOM 0 H LEU A 84 -9.939 -4.873 -7.513 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.506 -5.315 -4.968 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.488 -5.274 -5.234 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.479 -4.690 -3.927 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.421 -3.293 -6.591 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.229 -1.810 -5.837 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.788 -3.486 -6.050 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.483 -2.850 -4.416 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.905 -1.344 -5.172 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.051 -2.368 -3.723 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.759 -2.680 -4.906 1.00 0.00 H new ATOM 1281 N SER A 85 -8.909 -7.719 -6.398 1.00 0.00 N ATOM 1282 CA SER A 85 -9.055 -9.170 -6.476 1.00 0.00 C ATOM 1283 C SER A 85 -7.705 -9.849 -6.324 1.00 0.00 C ATOM 1284 O SER A 85 -7.403 -10.839 -6.993 1.00 0.00 O ATOM 1285 CB SER A 85 -9.718 -9.579 -7.793 1.00 0.00 C ATOM 1286 OG SER A 85 -9.449 -8.636 -8.816 1.00 0.00 O ATOM 0 H SER A 85 -8.195 -7.333 -7.015 1.00 0.00 H new ATOM 0 HA SER A 85 -9.698 -9.493 -5.657 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.356 -10.561 -8.096 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.795 -9.667 -7.649 1.00 0.00 H new ATOM 0 HG SER A 85 -9.883 -8.922 -9.647 1.00 0.00 H new ATOM 1292 N SER A 86 -6.902 -9.278 -5.444 1.00 0.00 N ATOM 1293 CA SER A 86 -5.555 -9.767 -5.167 1.00 0.00 C ATOM 1294 C SER A 86 -4.697 -9.509 -6.383 1.00 0.00 C ATOM 1295 O SER A 86 -3.685 -10.169 -6.620 1.00 0.00 O ATOM 1296 CB SER A 86 -5.568 -11.260 -4.826 1.00 0.00 C ATOM 1297 OG SER A 86 -6.699 -11.594 -4.039 1.00 0.00 O ATOM 0 H SER A 86 -7.163 -8.458 -4.897 1.00 0.00 H new ATOM 0 HA SER A 86 -5.148 -9.242 -4.303 1.00 0.00 H new ATOM 0 HB2 SER A 86 -5.575 -11.846 -5.745 1.00 0.00 H new ATOM 0 HB3 SER A 86 -4.657 -11.521 -4.288 1.00 0.00 H new ATOM 0 HG SER A 86 -6.773 -12.569 -3.970 1.00 0.00 H new ATOM 1303 N ASP A 87 -5.155 -8.548 -7.165 1.00 0.00 N ATOM 1304 CA ASP A 87 -4.510 -8.162 -8.397 1.00 0.00 C ATOM 1305 C ASP A 87 -4.108 -6.694 -8.363 1.00 0.00 C ATOM 1306 O ASP A 87 -4.966 -5.813 -8.319 1.00 0.00 O ATOM 1307 CB ASP A 87 -5.497 -8.406 -9.527 1.00 0.00 C ATOM 1308 CG ASP A 87 -4.852 -8.360 -10.897 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -3.899 -9.133 -11.130 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -5.299 -7.552 -11.738 1.00 0.00 O ATOM 0 H ASP A 87 -5.996 -8.010 -6.956 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.602 -8.747 -8.542 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.969 -9.378 -9.386 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.288 -7.658 -9.479 1.00 0.00 H new ATOM 1315 N ILE A 88 -2.807 -6.429 -8.386 1.00 0.00 N ATOM 1316 CA ILE A 88 -2.323 -5.057 -8.360 1.00 0.00 C ATOM 1317 C ILE A 88 -2.235 -4.479 -9.763 1.00 0.00 C ATOM 1318 O ILE A 88 -1.953 -3.297 -9.930 1.00 0.00 O ATOM 1319 CB ILE A 88 -0.939 -4.942 -7.692 1.00 0.00 C ATOM 1320 CG1 ILE A 88 -0.101 -6.193 -7.965 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -1.091 -4.711 -6.199 1.00 0.00 C ATOM 1322 CD1 ILE A 88 1.386 -5.918 -8.037 1.00 0.00 C ATOM 0 H ILE A 88 -2.076 -7.139 -8.422 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.046 -4.491 -7.772 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.418 -4.086 -8.121 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.290 -6.926 -7.180 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.426 -6.641 -8.904 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.105 -4.632 -5.741 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.646 -3.788 -6.028 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.632 -5.547 -5.755 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.919 -6.848 -8.233 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.586 -5.209 -8.840 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.725 -5.498 -7.090 1.00 0.00 H new ATOM 1334 N THR A 89 -2.462 -5.317 -10.769 1.00 0.00 N ATOM 1335 CA THR A 89 -2.395 -4.879 -12.158 1.00 0.00 C ATOM 1336 C THR A 89 -3.171 -3.585 -12.377 1.00 0.00 C ATOM 1337 O THR A 89 -2.608 -2.585 -12.820 1.00 0.00 O ATOM 1338 CB THR A 89 -2.939 -5.957 -13.114 1.00 0.00 C ATOM 1339 OG1 THR A 89 -2.522 -7.256 -12.677 1.00 0.00 O ATOM 1340 CG2 THR A 89 -2.455 -5.716 -14.536 1.00 0.00 C ATOM 0 H THR A 89 -2.694 -6.303 -10.648 1.00 0.00 H new ATOM 0 HA THR A 89 -1.342 -4.703 -12.376 1.00 0.00 H new ATOM 0 HB THR A 89 -4.028 -5.902 -13.104 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.873 -7.936 -13.289 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.853 -6.490 -15.192 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.799 -4.740 -14.877 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.366 -5.745 -14.559 1.00 0.00 H new ATOM 1348 N ALA A 90 -4.468 -3.611 -12.082 1.00 0.00 N ATOM 1349 CA ALA A 90 -5.313 -2.447 -12.260 1.00 0.00 C ATOM 1350 C ALA A 90 -4.868 -1.279 -11.379 1.00 0.00 C ATOM 1351 O ALA A 90 -4.793 -0.139 -11.838 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.766 -2.801 -11.984 1.00 0.00 C ATOM 0 H ALA A 90 -4.953 -4.431 -11.718 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.217 -2.126 -13.297 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.388 -1.917 -12.122 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.087 -3.582 -12.673 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.865 -3.158 -10.959 1.00 0.00 H new ATOM 1358 N SER A 91 -4.567 -1.571 -10.114 1.00 0.00 N ATOM 1359 CA SER A 91 -4.121 -0.543 -9.175 1.00 0.00 C ATOM 1360 C SER A 91 -2.818 0.090 -9.635 1.00 0.00 C ATOM 1361 O SER A 91 -2.588 1.285 -9.435 1.00 0.00 O ATOM 1362 CB SER A 91 -3.939 -1.144 -7.781 1.00 0.00 C ATOM 1363 OG SER A 91 -4.053 -2.556 -7.814 1.00 0.00 O ATOM 0 H SER A 91 -4.624 -2.509 -9.717 1.00 0.00 H new ATOM 0 HA SER A 91 -4.886 0.232 -9.137 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.962 -0.864 -7.386 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.687 -0.732 -7.104 1.00 0.00 H new ATOM 0 HG SER A 91 -4.091 -2.903 -6.898 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.973 -0.714 -10.254 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.701 -0.213 -10.735 1.00 0.00 C ATOM 1371 C VAL A 92 -0.883 0.583 -12.004 1.00 0.00 C ATOM 1372 O VAL A 92 -0.361 1.676 -12.116 1.00 0.00 O ATOM 1373 CB VAL A 92 0.343 -1.313 -10.990 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.544 -0.722 -11.728 1.00 0.00 C ATOM 1375 CG2 VAL A 92 0.774 -1.960 -9.682 1.00 0.00 C ATOM 0 H VAL A 92 -2.142 -1.704 -10.433 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.322 0.421 -9.933 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.104 -2.089 -11.612 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.282 -1.504 -11.907 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.217 -0.307 -12.681 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.991 0.067 -11.123 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.513 -2.735 -9.886 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.211 -1.205 -9.029 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.093 -2.404 -9.193 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.622 0.039 -12.960 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.851 0.727 -14.203 1.00 0.00 C ATOM 1387 C ASN A 93 -2.210 2.180 -13.943 1.00 0.00 C ATOM 1388 O ASN A 93 -1.714 3.092 -14.609 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.943 0.022 -14.986 1.00 0.00 C ATOM 1390 CG ASN A 93 -4.114 0.924 -15.325 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -5.083 1.013 -14.570 1.00 0.00 O ATOM 1392 ND2 ASN A 93 -4.033 1.598 -16.466 1.00 0.00 N ATOM 0 H ASN A 93 -2.069 -0.875 -12.890 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.938 0.711 -14.798 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.520 -0.376 -15.909 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.304 -0.829 -14.408 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.792 2.219 -16.747 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.212 1.495 -17.062 1.00 0.00 H new ATOM 1399 N CYS A 94 -3.064 2.385 -12.951 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.484 3.721 -12.584 1.00 0.00 C ATOM 1401 C CYS A 94 -2.311 4.521 -12.038 1.00 0.00 C ATOM 1402 O CYS A 94 -2.093 5.662 -12.445 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.607 3.669 -11.552 1.00 0.00 C ATOM 1404 SG CYS A 94 -5.761 5.069 -11.675 1.00 0.00 S ATOM 0 H CYS A 94 -3.477 1.641 -12.389 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.857 4.215 -13.481 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.161 2.738 -11.675 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -4.172 3.652 -10.553 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.555 3.926 -11.116 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.410 4.620 -10.535 1.00 0.00 C ATOM 1411 C ALA A 95 0.683 4.808 -11.570 1.00 0.00 C ATOM 1412 O ALA A 95 1.330 5.845 -11.608 1.00 0.00 O ATOM 1413 CB ALA A 95 0.123 3.899 -9.324 1.00 0.00 C ATOM 0 H ALA A 95 -1.711 2.982 -10.761 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.753 5.602 -10.208 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.975 4.446 -8.920 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.658 3.833 -8.567 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.439 2.895 -9.608 1.00 0.00 H new ATOM 1419 N LYS A 96 0.868 3.813 -12.429 1.00 0.00 N ATOM 1420 CA LYS A 96 1.857 3.906 -13.485 1.00 0.00 C ATOM 1421 C LYS A 96 1.599 5.213 -14.219 1.00 0.00 C ATOM 1422 O LYS A 96 2.515 5.927 -14.638 1.00 0.00 O ATOM 1423 CB LYS A 96 1.731 2.722 -14.448 1.00 0.00 C ATOM 1424 CG LYS A 96 3.042 1.991 -14.688 1.00 0.00 C ATOM 1425 CD LYS A 96 3.379 1.922 -16.168 1.00 0.00 C ATOM 1426 CE LYS A 96 2.820 0.662 -16.808 1.00 0.00 C ATOM 1427 NZ LYS A 96 3.862 -0.090 -17.559 1.00 0.00 N ATOM 0 H LYS A 96 0.346 2.937 -12.412 1.00 0.00 H new ATOM 0 HA LYS A 96 2.865 3.882 -13.072 1.00 0.00 H new ATOM 0 HB2 LYS A 96 0.999 2.018 -14.051 1.00 0.00 H new ATOM 0 HB3 LYS A 96 1.344 3.080 -15.402 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.846 2.498 -14.154 1.00 0.00 H new ATOM 0 HG3 LYS A 96 2.977 0.982 -14.281 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.976 2.799 -16.675 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.461 1.948 -16.298 1.00 0.00 H new ATOM 0 HE2 LYS A 96 2.396 0.021 -16.036 1.00 0.00 H new ATOM 0 HE3 LYS A 96 2.007 0.928 -17.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.440 -0.942 -17.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 4.250 0.513 -18.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 4.626 -0.367 -16.910 1.00 0.00 H new ATOM 1441 N LYS A 97 0.309 5.521 -14.307 1.00 0.00 N ATOM 1442 CA LYS A 97 -0.165 6.747 -14.926 1.00 0.00 C ATOM 1443 C LYS A 97 -0.063 7.900 -13.933 1.00 0.00 C ATOM 1444 O LYS A 97 0.152 9.049 -14.320 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.609 6.587 -15.406 1.00 0.00 C ATOM 1446 CG LYS A 97 -1.752 6.594 -16.918 1.00 0.00 C ATOM 1447 CD LYS A 97 -2.306 5.276 -17.432 1.00 0.00 C ATOM 1448 CE LYS A 97 -1.404 4.666 -18.492 1.00 0.00 C ATOM 1449 NZ LYS A 97 -0.097 4.235 -17.925 1.00 0.00 N ATOM 0 H LYS A 97 -0.436 4.924 -13.949 1.00 0.00 H new ATOM 0 HA LYS A 97 0.460 6.965 -15.792 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.011 5.652 -15.016 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.213 7.393 -14.989 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.411 7.409 -17.218 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.781 6.785 -17.375 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.416 4.578 -16.602 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.301 5.436 -17.848 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.904 3.810 -18.945 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.234 5.393 -19.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.398 3.633 -18.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.484 5.072 -17.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.259 3.698 -17.049 1.00 0.00 H new ATOM 1463 N ILE A 98 -0.199 7.579 -12.646 1.00 0.00 N ATOM 1464 CA ILE A 98 -0.102 8.584 -11.598 1.00 0.00 C ATOM 1465 C ILE A 98 1.309 9.165 -11.556 1.00 0.00 C ATOM 1466 O ILE A 98 1.500 10.382 -11.555 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.466 8.015 -10.211 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -1.955 7.654 -10.163 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.132 9.025 -9.120 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.363 6.928 -8.898 1.00 0.00 C ATOM 0 H ILE A 98 -0.376 6.633 -12.309 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.820 9.368 -11.836 1.00 0.00 H new ATOM 0 HB ILE A 98 0.120 7.112 -10.039 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.544 8.566 -10.254 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.197 7.031 -11.024 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.394 8.610 -8.147 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.935 9.247 -9.144 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.697 9.942 -9.287 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.429 6.705 -8.934 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.800 5.998 -8.815 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.153 7.558 -8.033 1.00 0.00 H new ATOM 1482 N VAL A 99 2.287 8.269 -11.515 1.00 0.00 N ATOM 1483 CA VAL A 99 3.690 8.646 -11.464 1.00 0.00 C ATOM 1484 C VAL A 99 4.181 9.168 -12.812 1.00 0.00 C ATOM 1485 O VAL A 99 5.141 9.935 -12.873 1.00 0.00 O ATOM 1486 CB VAL A 99 4.568 7.462 -11.021 1.00 0.00 C ATOM 1487 CG1 VAL A 99 4.755 6.466 -12.156 1.00 0.00 C ATOM 1488 CG2 VAL A 99 5.908 7.960 -10.511 1.00 0.00 C ATOM 0 H VAL A 99 2.128 7.261 -11.516 1.00 0.00 H new ATOM 0 HA VAL A 99 3.775 9.447 -10.729 1.00 0.00 H new ATOM 0 HB VAL A 99 4.060 6.945 -10.207 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.379 5.640 -11.816 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.783 6.083 -12.467 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.237 6.961 -12.999 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.518 7.111 -10.201 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.420 8.504 -11.305 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.750 8.623 -9.660 1.00 0.00 H new ATOM 1498 N SER A 100 3.510 8.766 -13.891 1.00 0.00 N ATOM 1499 CA SER A 100 3.884 9.220 -15.225 1.00 0.00 C ATOM 1500 C SER A 100 3.352 10.628 -15.473 1.00 0.00 C ATOM 1501 O SER A 100 3.843 11.348 -16.343 1.00 0.00 O ATOM 1502 CB SER A 100 3.344 8.263 -16.290 1.00 0.00 C ATOM 1503 OG SER A 100 1.971 8.503 -16.543 1.00 0.00 O ATOM 0 H SER A 100 2.711 8.132 -13.866 1.00 0.00 H new ATOM 0 HA SER A 100 4.972 9.236 -15.289 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.913 8.382 -17.212 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.482 7.233 -15.961 1.00 0.00 H new ATOM 0 HG SER A 100 1.528 8.775 -15.712 1.00 0.00 H new ATOM 1509 N ASP A 101 2.343 11.010 -14.696 1.00 0.00 N ATOM 1510 CA ASP A 101 1.734 12.329 -14.817 1.00 0.00 C ATOM 1511 C ASP A 101 1.273 12.843 -13.456 1.00 0.00 C ATOM 1512 O ASP A 101 0.124 12.640 -13.061 1.00 0.00 O ATOM 1513 CB ASP A 101 0.548 12.279 -15.784 1.00 0.00 C ATOM 1514 CG ASP A 101 0.939 12.660 -17.198 1.00 0.00 C ATOM 1515 OD1 ASP A 101 0.972 13.871 -17.500 1.00 0.00 O ATOM 1516 OD2 ASP A 101 1.213 11.746 -18.004 1.00 0.00 O ATOM 0 H ASP A 101 1.929 10.421 -13.973 1.00 0.00 H new ATOM 0 HA ASP A 101 2.486 13.014 -15.209 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.126 11.274 -15.785 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.233 12.953 -15.432 1.00 0.00 H new ATOM 1521 N GLY A 102 2.176 13.509 -12.741 1.00 0.00 N ATOM 1522 CA GLY A 102 1.843 14.041 -11.432 1.00 0.00 C ATOM 1523 C GLY A 102 3.014 13.990 -10.471 1.00 0.00 C ATOM 1524 O GLY A 102 4.037 14.636 -10.694 1.00 0.00 O ATOM 0 H GLY A 102 3.133 13.689 -13.046 1.00 0.00 H new ATOM 0 HA2 GLY A 102 1.508 15.073 -11.537 1.00 0.00 H new ATOM 0 HA3 GLY A 102 1.010 13.476 -11.015 1.00 0.00 H new ATOM 1528 N ASN A 103 2.864 13.217 -9.400 1.00 0.00 N ATOM 1529 CA ASN A 103 3.918 13.077 -8.401 1.00 0.00 C ATOM 1530 C ASN A 103 4.281 11.609 -8.204 1.00 0.00 C ATOM 1531 O ASN A 103 3.411 10.738 -8.243 1.00 0.00 O ATOM 1532 CB ASN A 103 3.475 13.689 -7.071 1.00 0.00 C ATOM 1533 CG ASN A 103 4.342 14.861 -6.654 1.00 0.00 C ATOM 1534 OD1 ASN A 103 5.505 14.957 -7.045 1.00 0.00 O ATOM 1535 ND2 ASN A 103 3.778 15.762 -5.858 1.00 0.00 N ATOM 0 H ASN A 103 2.022 12.677 -9.201 1.00 0.00 H new ATOM 0 HA ASN A 103 4.800 13.609 -8.759 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.439 14.019 -7.153 1.00 0.00 H new ATOM 0 HB3 ASN A 103 3.505 12.924 -6.295 1.00 0.00 H new ATOM 0 HD21 ASN A 103 4.312 16.573 -5.547 1.00 0.00 H new ATOM 0 HD22 ASN A 103 2.810 15.643 -5.558 1.00 0.00 H new ATOM 1542 N GLY A 104 5.567 11.341 -8.003 1.00 0.00 N ATOM 1543 CA GLY A 104 6.020 9.974 -7.814 1.00 0.00 C ATOM 1544 C GLY A 104 5.511 9.352 -6.530 1.00 0.00 C ATOM 1545 O GLY A 104 4.306 9.201 -6.341 1.00 0.00 O ATOM 0 H GLY A 104 6.304 12.045 -7.968 1.00 0.00 H new ATOM 0 HA2 GLY A 104 5.692 9.369 -8.659 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.110 9.956 -7.813 1.00 0.00 H new ATOM 1549 N MET A 105 6.434 9.000 -5.641 1.00 0.00 N ATOM 1550 CA MET A 105 6.084 8.398 -4.365 1.00 0.00 C ATOM 1551 C MET A 105 5.617 9.472 -3.401 1.00 0.00 C ATOM 1552 O MET A 105 5.241 9.188 -2.264 1.00 0.00 O ATOM 1553 CB MET A 105 7.290 7.665 -3.774 1.00 0.00 C ATOM 1554 CG MET A 105 8.245 7.114 -4.820 1.00 0.00 C ATOM 1555 SD MET A 105 7.435 6.009 -5.989 1.00 0.00 S ATOM 1556 CE MET A 105 6.428 5.034 -4.878 1.00 0.00 C ATOM 0 H MET A 105 7.436 9.124 -5.785 1.00 0.00 H new ATOM 0 HA MET A 105 5.279 7.680 -4.526 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.835 8.348 -3.122 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.935 6.844 -3.151 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.698 7.943 -5.364 1.00 0.00 H new ATOM 0 HG3 MET A 105 9.054 6.579 -4.322 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.250 4.052 -5.316 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.945 4.918 -3.925 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.475 5.537 -4.715 1.00 0.00 H new ATOM 1566 N ASN A 106 5.660 10.710 -3.869 1.00 0.00 N ATOM 1567 CA ASN A 106 5.263 11.849 -3.068 1.00 0.00 C ATOM 1568 C ASN A 106 3.746 11.933 -2.944 1.00 0.00 C ATOM 1569 O ASN A 106 3.222 12.341 -1.907 1.00 0.00 O ATOM 1570 CB ASN A 106 5.811 13.126 -3.700 1.00 0.00 C ATOM 1571 CG ASN A 106 7.095 12.884 -4.471 1.00 0.00 C ATOM 1572 OD1 ASN A 106 7.131 13.007 -5.695 1.00 0.00 O ATOM 1573 ND2 ASN A 106 8.158 12.536 -3.755 1.00 0.00 N ATOM 0 H ASN A 106 5.970 10.949 -4.811 1.00 0.00 H new ATOM 0 HA ASN A 106 5.673 11.730 -2.065 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.062 13.547 -4.370 1.00 0.00 H new ATOM 0 HB3 ASN A 106 5.992 13.865 -2.920 1.00 0.00 H new ATOM 0 HD21 ASN A 106 9.049 12.359 -4.218 1.00 0.00 H new ATOM 0 HD22 ASN A 106 8.083 12.446 -2.742 1.00 0.00 H new ATOM 1580 N ALA A 107 3.041 11.547 -4.007 1.00 0.00 N ATOM 1581 CA ALA A 107 1.582 11.583 -4.011 1.00 0.00 C ATOM 1582 C ALA A 107 1.014 10.867 -2.792 1.00 0.00 C ATOM 1583 O ALA A 107 0.151 11.398 -2.092 1.00 0.00 O ATOM 1584 CB ALA A 107 1.043 10.961 -5.290 1.00 0.00 C ATOM 0 H ALA A 107 3.457 11.207 -4.874 1.00 0.00 H new ATOM 0 HA ALA A 107 1.268 12.626 -3.967 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.046 10.994 -5.280 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.415 11.518 -6.150 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.374 9.925 -5.358 1.00 0.00 H new ATOM 1590 N TRP A 108 1.508 9.660 -2.545 1.00 0.00 N ATOM 1591 CA TRP A 108 1.055 8.867 -1.411 1.00 0.00 C ATOM 1592 C TRP A 108 1.727 9.349 -0.126 1.00 0.00 C ATOM 1593 O TRP A 108 2.943 9.529 -0.073 1.00 0.00 O ATOM 1594 CB TRP A 108 1.330 7.385 -1.671 1.00 0.00 C ATOM 1595 CG TRP A 108 0.691 6.897 -2.941 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -0.603 6.492 -3.106 1.00 0.00 C ATOM 1597 CD2 TRP A 108 1.312 6.779 -4.228 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -0.823 6.129 -4.413 1.00 0.00 N ATOM 1599 CE2 TRP A 108 0.337 6.295 -5.124 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.598 7.035 -4.708 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 0.612 6.063 -6.474 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 2.868 6.806 -6.044 1.00 0.00 C ATOM 1603 CH2 TRP A 108 1.881 6.326 -6.913 1.00 0.00 C ATOM 0 H TRP A 108 2.223 9.209 -3.116 1.00 0.00 H new ATOM 0 HA TRP A 108 -0.021 8.993 -1.286 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.406 7.222 -1.723 1.00 0.00 H new ATOM 0 HB3 TRP A 108 0.959 6.797 -0.832 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -1.346 6.461 -2.323 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.707 5.791 -4.793 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.368 7.405 -4.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -0.148 5.690 -7.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.860 7.001 -6.425 1.00 0.00 H new ATOM 0 HH2 TRP A 108 2.126 6.160 -7.952 1.00 0.00 H new ATOM 1614 N VAL A 109 0.909 9.595 0.894 1.00 0.00 N ATOM 1615 CA VAL A 109 1.387 10.106 2.179 1.00 0.00 C ATOM 1616 C VAL A 109 2.090 9.056 3.033 1.00 0.00 C ATOM 1617 O VAL A 109 2.916 9.399 3.879 1.00 0.00 O ATOM 1618 CB VAL A 109 0.242 10.688 3.005 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.683 11.960 3.711 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -0.990 10.939 2.149 1.00 0.00 C ATOM 0 H VAL A 109 -0.099 9.447 0.855 1.00 0.00 H new ATOM 0 HA VAL A 109 2.111 10.878 1.917 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.030 9.953 3.762 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.147 12.359 4.294 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.518 11.737 4.375 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.994 12.698 2.971 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.785 11.353 2.769 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.744 11.644 1.355 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.325 10.000 1.709 1.00 0.00 H new ATOM 1630 N ALA A 110 1.771 7.788 2.824 1.00 0.00 N ATOM 1631 CA ALA A 110 2.394 6.721 3.602 1.00 0.00 C ATOM 1632 C ALA A 110 3.877 6.608 3.284 1.00 0.00 C ATOM 1633 O ALA A 110 4.655 6.076 4.076 1.00 0.00 O ATOM 1634 CB ALA A 110 1.692 5.399 3.347 1.00 0.00 C ATOM 0 H ALA A 110 1.093 7.472 2.131 1.00 0.00 H new ATOM 0 HA ALA A 110 2.294 6.970 4.659 1.00 0.00 H new ATOM 0 HB1 ALA A 110 2.169 4.615 3.935 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.644 5.482 3.635 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.758 5.150 2.288 1.00 0.00 H new ATOM 1640 N TRP A 111 4.263 7.127 2.129 1.00 0.00 N ATOM 1641 CA TRP A 111 5.657 7.097 1.720 1.00 0.00 C ATOM 1642 C TRP A 111 6.381 8.337 2.231 1.00 0.00 C ATOM 1643 O TRP A 111 7.543 8.264 2.626 1.00 0.00 O ATOM 1644 CB TRP A 111 5.787 6.979 0.197 1.00 0.00 C ATOM 1645 CG TRP A 111 7.208 6.996 -0.283 1.00 0.00 C ATOM 1646 CD1 TRP A 111 7.990 5.913 -0.562 1.00 0.00 C ATOM 1647 CD2 TRP A 111 8.017 8.152 -0.539 1.00 0.00 C ATOM 1648 NE1 TRP A 111 9.235 6.323 -0.975 1.00 0.00 N ATOM 1649 CE2 TRP A 111 9.276 7.691 -0.970 1.00 0.00 C ATOM 1650 CE3 TRP A 111 7.800 9.529 -0.447 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.312 8.560 -1.306 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 8.829 10.390 -0.782 1.00 0.00 C ATOM 1653 CH2 TRP A 111 10.070 9.903 -1.207 1.00 0.00 C ATOM 0 H TRP A 111 3.633 7.572 1.461 1.00 0.00 H new ATOM 0 HA TRP A 111 6.123 6.215 2.159 1.00 0.00 H new ATOM 0 HB2 TRP A 111 5.312 6.054 -0.130 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.243 7.800 -0.271 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.676 4.884 -0.471 1.00 0.00 H new ATOM 0 HE1 TRP A 111 10.004 5.708 -1.242 1.00 0.00 H new ATOM 0 HE3 TRP A 111 6.846 9.914 -0.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 11.271 8.187 -1.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.672 11.456 -0.714 1.00 0.00 H new ATOM 0 HH2 TRP A 111 10.853 10.602 -1.462 1.00 0.00 H new ATOM 1664 N ARG A 112 5.688 9.474 2.245 1.00 0.00 N ATOM 1665 CA ARG A 112 6.266 10.719 2.738 1.00 0.00 C ATOM 1666 C ARG A 112 5.935 10.927 4.212 1.00 0.00 C ATOM 1667 O ARG A 112 5.566 12.028 4.625 1.00 0.00 O ATOM 1668 CB ARG A 112 5.734 11.894 1.934 1.00 0.00 C ATOM 1669 CG ARG A 112 6.770 12.537 1.026 1.00 0.00 C ATOM 1670 CD ARG A 112 6.349 13.935 0.602 1.00 0.00 C ATOM 1671 NE ARG A 112 7.333 14.943 0.986 1.00 0.00 N ATOM 1672 CZ ARG A 112 7.140 16.252 0.850 1.00 0.00 C ATOM 1673 NH1 ARG A 112 6.004 16.709 0.340 1.00 0.00 N ATOM 1674 NH2 ARG A 112 8.084 17.104 1.223 1.00 0.00 N ATOM 0 H ARG A 112 4.725 9.557 1.920 1.00 0.00 H new ATOM 0 HA ARG A 112 7.348 10.656 2.626 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.893 11.556 1.328 1.00 0.00 H new ATOM 0 HB3 ARG A 112 5.349 12.648 2.621 1.00 0.00 H new ATOM 0 HG2 ARG A 112 7.728 12.586 1.543 1.00 0.00 H new ATOM 0 HG3 ARG A 112 6.916 11.916 0.142 1.00 0.00 H new ATOM 0 HD2 ARG A 112 6.208 13.959 -0.479 1.00 0.00 H new ATOM 0 HD3 ARG A 112 5.387 14.177 1.054 1.00 0.00 H new ATOM 0 HE ARG A 112 8.218 14.626 1.381 1.00 0.00 H new ATOM 0 HH11 ARG A 112 5.276 16.056 0.051 1.00 0.00 H new ATOM 0 HH12 ARG A 112 5.859 17.713 0.237 1.00 0.00 H new ATOM 0 HH21 ARG A 112 8.959 16.756 1.615 1.00 0.00 H new ATOM 0 HH22 ARG A 112 7.935 18.108 1.118 1.00 0.00 H new ATOM 1688 N ASN A 113 6.069 9.875 4.998 1.00 0.00 N ATOM 1689 CA ASN A 113 5.782 9.956 6.426 1.00 0.00 C ATOM 1690 C ASN A 113 6.530 8.882 7.202 1.00 0.00 C ATOM 1691 O ASN A 113 7.390 9.182 8.031 1.00 0.00 O ATOM 1692 CB ASN A 113 4.279 9.824 6.673 1.00 0.00 C ATOM 1693 CG ASN A 113 3.777 10.798 7.720 1.00 0.00 C ATOM 1694 OD1 ASN A 113 3.524 10.422 8.865 1.00 0.00 O ATOM 1695 ND2 ASN A 113 3.630 12.060 7.333 1.00 0.00 N ATOM 0 H ASN A 113 6.373 8.956 4.678 1.00 0.00 H new ATOM 0 HA ASN A 113 6.121 10.930 6.779 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.744 9.992 5.738 1.00 0.00 H new ATOM 0 HB3 ASN A 113 4.054 8.806 6.990 1.00 0.00 H new ATOM 0 HD21 ASN A 113 3.296 12.761 7.995 1.00 0.00 H new ATOM 0 HD22 ASN A 113 3.851 12.328 6.374 1.00 0.00 H new ATOM 1702 N ARG A 114 6.190 7.632 6.931 1.00 0.00 N ATOM 1703 CA ARG A 114 6.819 6.506 7.604 1.00 0.00 C ATOM 1704 C ARG A 114 7.952 5.926 6.768 1.00 0.00 C ATOM 1705 O ARG A 114 8.683 5.045 7.223 1.00 0.00 O ATOM 1706 CB ARG A 114 5.780 5.424 7.886 1.00 0.00 C ATOM 1707 CG ARG A 114 5.103 5.564 9.239 1.00 0.00 C ATOM 1708 CD ARG A 114 5.972 5.010 10.357 1.00 0.00 C ATOM 1709 NE ARG A 114 5.782 5.737 11.609 1.00 0.00 N ATOM 1710 CZ ARG A 114 6.486 6.812 11.952 1.00 0.00 C ATOM 1711 NH1 ARG A 114 7.421 7.284 11.139 1.00 0.00 N ATOM 1712 NH2 ARG A 114 6.253 7.417 13.108 1.00 0.00 N ATOM 0 H ARG A 114 5.480 7.371 6.247 1.00 0.00 H new ATOM 0 HA ARG A 114 7.238 6.865 8.544 1.00 0.00 H new ATOM 0 HB2 ARG A 114 5.020 5.450 7.105 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.261 4.448 7.830 1.00 0.00 H new ATOM 0 HG2 ARG A 114 4.887 6.615 9.432 1.00 0.00 H new ATOM 0 HG3 ARG A 114 4.148 5.039 9.225 1.00 0.00 H new ATOM 0 HD2 ARG A 114 5.738 3.957 10.510 1.00 0.00 H new ATOM 0 HD3 ARG A 114 7.020 5.064 10.062 1.00 0.00 H new ATOM 0 HE ARG A 114 5.069 5.402 12.257 1.00 0.00 H new ATOM 0 HH11 ARG A 114 7.602 6.822 10.248 1.00 0.00 H new ATOM 0 HH12 ARG A 114 7.959 8.109 11.405 1.00 0.00 H new ATOM 0 HH21 ARG A 114 5.533 7.058 13.735 1.00 0.00 H new ATOM 0 HH22 ARG A 114 6.793 8.241 13.370 1.00 0.00 H new ATOM 1726 N CYS A 115 8.087 6.413 5.540 1.00 0.00 N ATOM 1727 CA CYS A 115 9.124 5.925 4.643 1.00 0.00 C ATOM 1728 C CYS A 115 10.198 6.976 4.386 1.00 0.00 C ATOM 1729 O CYS A 115 11.389 6.665 4.384 1.00 0.00 O ATOM 1730 CB CYS A 115 8.512 5.488 3.317 1.00 0.00 C ATOM 1731 SG CYS A 115 9.713 4.755 2.166 1.00 0.00 S ATOM 0 H CYS A 115 7.493 7.142 5.145 1.00 0.00 H new ATOM 0 HA CYS A 115 9.597 5.073 5.131 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.721 4.764 3.513 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.045 6.350 2.841 1.00 0.00 H new ATOM 1736 N LYS A 116 9.775 8.215 4.157 1.00 0.00 N ATOM 1737 CA LYS A 116 10.710 9.300 3.885 1.00 0.00 C ATOM 1738 C LYS A 116 11.687 9.487 5.041 1.00 0.00 C ATOM 1739 O LYS A 116 11.405 10.214 5.994 1.00 0.00 O ATOM 1740 CB LYS A 116 9.949 10.603 3.632 1.00 0.00 C ATOM 1741 CG LYS A 116 10.696 11.579 2.738 1.00 0.00 C ATOM 1742 CD LYS A 116 10.753 12.968 3.355 1.00 0.00 C ATOM 1743 CE LYS A 116 11.369 13.977 2.400 1.00 0.00 C ATOM 1744 NZ LYS A 116 10.482 14.254 1.237 1.00 0.00 N ATOM 0 H LYS A 116 8.793 8.492 4.154 1.00 0.00 H new ATOM 0 HA LYS A 116 11.280 9.037 2.994 1.00 0.00 H new ATOM 0 HB2 LYS A 116 8.987 10.370 3.177 1.00 0.00 H new ATOM 0 HB3 LYS A 116 9.741 11.084 4.588 1.00 0.00 H new ATOM 0 HG2 LYS A 116 11.709 11.214 2.566 1.00 0.00 H new ATOM 0 HG3 LYS A 116 10.206 11.631 1.766 1.00 0.00 H new ATOM 0 HD2 LYS A 116 9.747 13.289 3.625 1.00 0.00 H new ATOM 0 HD3 LYS A 116 11.335 12.935 4.276 1.00 0.00 H new ATOM 0 HE2 LYS A 116 11.569 14.906 2.933 1.00 0.00 H new ATOM 0 HE3 LYS A 116 12.328 13.601 2.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 11.013 14.113 0.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 9.669 13.606 1.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 10.144 15.236 1.285 1.00 0.00 H new ATOM 1758 N GLY A 117 12.839 8.828 4.949 1.00 0.00 N ATOM 1759 CA GLY A 117 13.839 8.941 5.992 1.00 0.00 C ATOM 1760 C GLY A 117 14.469 7.609 6.355 1.00 0.00 C ATOM 1761 O GLY A 117 15.307 7.543 7.255 1.00 0.00 O ATOM 0 H GLY A 117 13.096 8.219 4.172 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.619 9.629 5.667 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.381 9.375 6.881 1.00 0.00 H new ATOM 1765 N THR A 118 14.072 6.546 5.660 1.00 0.00 N ATOM 1766 CA THR A 118 14.613 5.218 5.926 1.00 0.00 C ATOM 1767 C THR A 118 15.394 4.693 4.722 1.00 0.00 C ATOM 1768 O THR A 118 15.944 5.473 3.945 1.00 0.00 O ATOM 1769 CB THR A 118 13.493 4.220 6.280 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.576 4.103 5.185 1.00 0.00 O ATOM 1771 CG2 THR A 118 12.746 4.664 7.529 1.00 0.00 C ATOM 0 H THR A 118 13.380 6.579 4.911 1.00 0.00 H new ATOM 0 HA THR A 118 15.287 5.311 6.777 1.00 0.00 H new ATOM 0 HB THR A 118 13.950 3.250 6.476 1.00 0.00 H new ATOM 0 HG1 THR A 118 12.190 4.981 4.987 1.00 0.00 H new ATOM 0 HG21 THR A 118 11.961 3.944 7.759 1.00 0.00 H new ATOM 0 HG22 THR A 118 13.441 4.723 8.367 1.00 0.00 H new ATOM 0 HG23 THR A 118 12.301 5.644 7.358 1.00 0.00 H new ATOM 1779 N ASP A 119 15.441 3.370 4.572 1.00 0.00 N ATOM 1780 CA ASP A 119 16.158 2.756 3.462 1.00 0.00 C ATOM 1781 C ASP A 119 15.311 1.699 2.759 1.00 0.00 C ATOM 1782 O ASP A 119 15.040 0.635 3.313 1.00 0.00 O ATOM 1783 CB ASP A 119 17.449 2.140 3.946 1.00 0.00 C ATOM 1784 CG ASP A 119 18.534 2.152 2.888 1.00 0.00 C ATOM 1785 OD1 ASP A 119 18.258 1.713 1.751 1.00 0.00 O ATOM 1786 OD2 ASP A 119 19.658 2.601 3.194 1.00 0.00 O ATOM 0 H ASP A 119 14.992 2.707 5.204 1.00 0.00 H new ATOM 0 HA ASP A 119 16.381 3.543 2.742 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.798 2.681 4.825 1.00 0.00 H new ATOM 0 HB3 ASP A 119 17.262 1.112 4.258 1.00 0.00 H new ATOM 1791 N VAL A 120 14.902 2.004 1.532 1.00 0.00 N ATOM 1792 CA VAL A 120 14.091 1.093 0.737 1.00 0.00 C ATOM 1793 C VAL A 120 14.956 -0.002 0.129 1.00 0.00 C ATOM 1794 O VAL A 120 14.499 -1.127 -0.073 1.00 0.00 O ATOM 1795 CB VAL A 120 13.349 1.837 -0.390 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.398 2.871 0.191 1.00 0.00 C ATOM 1797 CG2 VAL A 120 14.337 2.490 -1.344 1.00 0.00 C ATOM 0 H VAL A 120 15.122 2.883 1.065 1.00 0.00 H new ATOM 0 HA VAL A 120 13.355 0.648 1.406 1.00 0.00 H new ATOM 0 HB VAL A 120 12.763 1.111 -0.953 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.882 3.387 -0.619 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.667 2.375 0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.962 3.594 0.780 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.792 3.010 -2.132 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.953 3.204 -0.797 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.974 1.725 -1.787 1.00 0.00 H new ATOM 1807 N GLN A 121 16.215 0.331 -0.146 1.00 0.00 N ATOM 1808 CA GLN A 121 17.146 -0.633 -0.714 1.00 0.00 C ATOM 1809 C GLN A 121 17.282 -1.821 0.227 1.00 0.00 C ATOM 1810 O GLN A 121 17.594 -2.935 -0.193 1.00 0.00 O ATOM 1811 CB GLN A 121 18.513 0.014 -0.948 1.00 0.00 C ATOM 1812 CG GLN A 121 18.516 1.042 -2.068 1.00 0.00 C ATOM 1813 CD GLN A 121 19.493 0.695 -3.173 1.00 0.00 C ATOM 1814 OE1 GLN A 121 19.094 0.371 -4.292 1.00 0.00 O ATOM 1815 NE2 GLN A 121 20.783 0.762 -2.865 1.00 0.00 N ATOM 0 H GLN A 121 16.610 1.257 0.015 1.00 0.00 H new ATOM 0 HA GLN A 121 16.761 -0.975 -1.675 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.842 0.493 -0.026 1.00 0.00 H new ATOM 0 HB3 GLN A 121 19.240 -0.765 -1.179 1.00 0.00 H new ATOM 0 HG2 GLN A 121 17.513 1.121 -2.486 1.00 0.00 H new ATOM 0 HG3 GLN A 121 18.769 2.020 -1.658 1.00 0.00 H new ATOM 0 HE21 GLN A 121 21.069 1.035 -1.925 1.00 0.00 H new ATOM 0 HE22 GLN A 121 21.487 0.540 -3.569 1.00 0.00 H new ATOM 1824 N ALA A 122 17.025 -1.567 1.506 1.00 0.00 N ATOM 1825 CA ALA A 122 17.092 -2.601 2.525 1.00 0.00 C ATOM 1826 C ALA A 122 15.739 -3.280 2.684 1.00 0.00 C ATOM 1827 O ALA A 122 15.649 -4.392 3.205 1.00 0.00 O ATOM 1828 CB ALA A 122 17.552 -2.010 3.850 1.00 0.00 C ATOM 0 H ALA A 122 16.767 -0.646 1.860 1.00 0.00 H new ATOM 0 HA ALA A 122 17.818 -3.351 2.211 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.597 -2.797 4.603 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.541 -1.568 3.727 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.848 -1.242 4.170 1.00 0.00 H new ATOM 1834 N TRP A 123 14.684 -2.607 2.221 1.00 0.00 N ATOM 1835 CA TRP A 123 13.335 -3.159 2.307 1.00 0.00 C ATOM 1836 C TRP A 123 13.199 -4.396 1.426 1.00 0.00 C ATOM 1837 O TRP A 123 12.289 -5.205 1.610 1.00 0.00 O ATOM 1838 CB TRP A 123 12.297 -2.114 1.892 1.00 0.00 C ATOM 1839 CG TRP A 123 11.790 -1.279 3.031 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.569 0.066 3.018 1.00 0.00 C ATOM 1841 CD2 TRP A 123 11.433 -1.730 4.346 1.00 0.00 C ATOM 1842 NE1 TRP A 123 11.104 0.479 4.243 1.00 0.00 N ATOM 1843 CE2 TRP A 123 11.014 -0.610 5.071 1.00 0.00 C ATOM 1844 CE3 TRP A 123 11.429 -2.970 4.983 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.598 -0.700 6.391 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 11.016 -3.057 6.294 1.00 0.00 C ATOM 1847 CH2 TRP A 123 10.605 -1.926 6.986 1.00 0.00 C ATOM 0 H TRP A 123 14.739 -1.686 1.786 1.00 0.00 H new ATOM 0 HA TRP A 123 13.156 -3.444 3.344 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.736 -1.458 1.140 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.454 -2.620 1.421 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.735 0.712 2.169 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.865 1.438 4.495 1.00 0.00 H new ATOM 0 HE3 TRP A 123 11.747 -3.855 4.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 10.277 0.178 6.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 11.012 -4.017 6.790 1.00 0.00 H new ATOM 0 HH2 TRP A 123 10.285 -2.019 8.013 1.00 0.00 H new ATOM 1858 N ILE A 124 14.110 -4.537 0.468 1.00 0.00 N ATOM 1859 CA ILE A 124 14.094 -5.675 -0.444 1.00 0.00 C ATOM 1860 C ILE A 124 15.422 -6.422 -0.413 1.00 0.00 C ATOM 1861 O ILE A 124 15.656 -7.327 -1.215 1.00 0.00 O ATOM 1862 CB ILE A 124 13.799 -5.235 -1.891 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.750 -4.113 -2.312 1.00 0.00 C ATOM 1864 CG2 ILE A 124 12.351 -4.788 -2.022 1.00 0.00 C ATOM 1865 CD1 ILE A 124 15.719 -4.519 -3.400 1.00 0.00 C ATOM 0 H ILE A 124 14.869 -3.876 0.303 1.00 0.00 H new ATOM 0 HA ILE A 124 13.298 -6.338 -0.106 1.00 0.00 H new ATOM 0 HB ILE A 124 13.958 -6.086 -2.554 1.00 0.00 H new ATOM 0 HG12 ILE A 124 14.164 -3.262 -2.658 1.00 0.00 H new ATOM 0 HG13 ILE A 124 15.314 -3.779 -1.441 1.00 0.00 H new ATOM 0 HG21 ILE A 124 12.157 -4.480 -3.049 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.690 -5.614 -1.760 1.00 0.00 H new ATOM 0 HG23 ILE A 124 12.167 -3.949 -1.351 1.00 0.00 H new ATOM 0 HD11 ILE A 124 16.362 -3.675 -3.648 1.00 0.00 H new ATOM 0 HD12 ILE A 124 16.331 -5.351 -3.051 1.00 0.00 H new ATOM 0 HD13 ILE A 124 15.163 -4.825 -4.287 1.00 0.00 H new ATOM 1877 N ARG A 125 16.290 -6.036 0.517 1.00 0.00 N ATOM 1878 CA ARG A 125 17.599 -6.667 0.654 1.00 0.00 C ATOM 1879 C ARG A 125 17.459 -8.126 1.081 1.00 0.00 C ATOM 1880 O ARG A 125 17.253 -8.420 2.260 1.00 0.00 O ATOM 1881 CB ARG A 125 18.451 -5.905 1.670 1.00 0.00 C ATOM 1882 CG ARG A 125 19.935 -6.218 1.575 1.00 0.00 C ATOM 1883 CD ARG A 125 20.523 -6.552 2.936 1.00 0.00 C ATOM 1884 NE ARG A 125 20.386 -5.445 3.878 1.00 0.00 N ATOM 1885 CZ ARG A 125 21.337 -5.082 4.733 1.00 0.00 C ATOM 1886 NH1 ARG A 125 22.491 -5.736 4.764 1.00 0.00 N ATOM 1887 NH2 ARG A 125 21.137 -4.064 5.557 1.00 0.00 N ATOM 0 H ARG A 125 16.111 -5.289 1.188 1.00 0.00 H new ATOM 0 HA ARG A 125 18.092 -6.638 -0.318 1.00 0.00 H new ATOM 0 HB2 ARG A 125 18.304 -4.835 1.525 1.00 0.00 H new ATOM 0 HB3 ARG A 125 18.102 -6.142 2.675 1.00 0.00 H new ATOM 0 HG2 ARG A 125 20.088 -7.057 0.896 1.00 0.00 H new ATOM 0 HG3 ARG A 125 20.462 -5.363 1.150 1.00 0.00 H new ATOM 0 HD2 ARG A 125 20.026 -7.434 3.339 1.00 0.00 H new ATOM 0 HD3 ARG A 125 21.578 -6.804 2.823 1.00 0.00 H new ATOM 0 HE ARG A 125 19.511 -4.921 3.880 1.00 0.00 H new ATOM 0 HH11 ARG A 125 22.650 -6.520 4.131 1.00 0.00 H new ATOM 0 HH12 ARG A 125 23.219 -5.455 5.421 1.00 0.00 H new ATOM 0 HH21 ARG A 125 20.252 -3.557 5.536 1.00 0.00 H new ATOM 0 HH22 ARG A 125 21.868 -3.787 6.212 1.00 0.00 H new ATOM 1901 N GLY A 126 17.576 -9.034 0.117 1.00 0.00 N ATOM 1902 CA GLY A 126 17.463 -10.450 0.415 1.00 0.00 C ATOM 1903 C GLY A 126 16.233 -11.081 -0.210 1.00 0.00 C ATOM 1904 O GLY A 126 16.012 -12.285 -0.079 1.00 0.00 O ATOM 0 H GLY A 126 17.747 -8.815 -0.864 1.00 0.00 H new ATOM 0 HA2 GLY A 126 18.354 -10.965 0.056 1.00 0.00 H new ATOM 0 HA3 GLY A 126 17.429 -10.589 1.496 1.00 0.00 H new ATOM 1908 N CYS A 127 15.430 -10.266 -0.887 1.00 0.00 N ATOM 1909 CA CYS A 127 14.217 -10.747 -1.532 1.00 0.00 C ATOM 1910 C CYS A 127 14.530 -11.752 -2.634 1.00 0.00 C ATOM 1911 O CYS A 127 15.682 -12.146 -2.821 1.00 0.00 O ATOM 1912 CB CYS A 127 13.433 -9.578 -2.093 1.00 0.00 C ATOM 1913 SG CYS A 127 12.217 -8.870 -0.937 1.00 0.00 S ATOM 0 H CYS A 127 15.600 -9.267 -1.002 1.00 0.00 H new ATOM 0 HA CYS A 127 13.615 -11.258 -0.781 1.00 0.00 H new ATOM 0 HB2 CYS A 127 14.132 -8.796 -2.391 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.914 -9.903 -2.995 1.00 0.00 H new ATOM 1918 N ARG A 128 13.498 -12.167 -3.361 1.00 0.00 N ATOM 1919 CA ARG A 128 13.663 -13.130 -4.444 1.00 0.00 C ATOM 1920 C ARG A 128 12.980 -12.642 -5.719 1.00 0.00 C ATOM 1921 O ARG A 128 11.866 -13.059 -6.037 1.00 0.00 O ATOM 1922 CB ARG A 128 13.098 -14.492 -4.036 1.00 0.00 C ATOM 1923 CG ARG A 128 11.814 -14.403 -3.227 1.00 0.00 C ATOM 1924 CD ARG A 128 12.005 -14.939 -1.818 1.00 0.00 C ATOM 1925 NE ARG A 128 11.810 -16.385 -1.750 1.00 0.00 N ATOM 1926 CZ ARG A 128 11.466 -17.032 -0.641 1.00 0.00 C ATOM 1927 NH1 ARG A 128 11.281 -16.365 0.490 1.00 0.00 N ATOM 1928 NH2 ARG A 128 11.308 -18.348 -0.662 1.00 0.00 N ATOM 0 H ARG A 128 12.538 -11.852 -3.220 1.00 0.00 H new ATOM 0 HA ARG A 128 14.730 -13.233 -4.644 1.00 0.00 H new ATOM 0 HB2 ARG A 128 12.911 -15.082 -4.933 1.00 0.00 H new ATOM 0 HB3 ARG A 128 13.848 -15.027 -3.453 1.00 0.00 H new ATOM 0 HG2 ARG A 128 11.483 -13.365 -3.181 1.00 0.00 H new ATOM 0 HG3 ARG A 128 11.027 -14.967 -3.728 1.00 0.00 H new ATOM 0 HD2 ARG A 128 13.008 -14.692 -1.469 1.00 0.00 H new ATOM 0 HD3 ARG A 128 11.303 -14.447 -1.145 1.00 0.00 H new ATOM 0 HE ARG A 128 11.946 -16.929 -2.602 1.00 0.00 H new ATOM 0 HH11 ARG A 128 11.403 -15.352 0.511 1.00 0.00 H new ATOM 0 HH12 ARG A 128 11.017 -16.864 1.339 1.00 0.00 H new ATOM 0 HH21 ARG A 128 11.450 -18.865 -1.530 1.00 0.00 H new ATOM 0 HH22 ARG A 128 11.044 -18.844 0.190 1.00 0.00 H new ATOM 1942 N LEU A 129 13.656 -11.757 -6.445 1.00 0.00 N ATOM 1943 CA LEU A 129 13.116 -11.214 -7.686 1.00 0.00 C ATOM 1944 C LEU A 129 14.228 -10.644 -8.560 1.00 0.00 C ATOM 1945 O LEU A 129 15.212 -10.120 -7.996 1.00 0.00 O ATOM 1946 CB LEU A 129 12.081 -10.128 -7.385 1.00 0.00 C ATOM 1947 CG LEU A 129 12.532 -9.064 -6.384 1.00 0.00 C ATOM 1948 CD1 LEU A 129 12.440 -7.677 -7.001 1.00 0.00 C ATOM 1949 CD2 LEU A 129 11.699 -9.142 -5.115 1.00 0.00 C ATOM 1950 OXT LEU A 129 14.107 -10.727 -9.800 1.00 0.00 O ATOM 0 H LEU A 129 14.579 -11.401 -6.195 1.00 0.00 H new ATOM 0 HA LEU A 129 12.633 -12.027 -8.228 1.00 0.00 H new ATOM 0 HB2 LEU A 129 11.812 -9.635 -8.319 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.178 -10.604 -7.004 1.00 0.00 H new ATOM 0 HG LEU A 129 13.573 -9.254 -6.124 1.00 0.00 H new ATOM 0 HD11 LEU A 129 12.765 -6.933 -6.274 1.00 0.00 H new ATOM 0 HD12 LEU A 129 13.080 -7.627 -7.882 1.00 0.00 H new ATOM 0 HD13 LEU A 129 11.409 -7.475 -7.290 1.00 0.00 H new ATOM 0 HD21 LEU A 129 12.033 -8.378 -4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 129 10.649 -8.977 -5.358 1.00 0.00 H new ATOM 0 HD23 LEU A 129 11.817 -10.127 -4.663 1.00 0.00 H new