USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 818 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 19 LYS NZ :NH3+ -161:sc= 1.76 (180deg=0.586) USER MOD Set 1.2: A 109 SER OG : rot -98:sc= 1.07 USER MOD Set 2.1: A 102 GLN : amide:sc= 1.72 K(o=4,f=-3.6) USER MOD Set 2.2: A 105 LYS NZ :NH3+ -170:sc= 2.31 (180deg=1.17) USER MOD Set 3.1: A 69 SER OG : rot -42:sc= 1.95 USER MOD Set 3.2: A 76 GLN : amide:sc= 0.67 K(o=2.6,f=-1.9!) USER MOD Single : A 8 LYS NZ :NH3+ 173:sc= 1.22 (180deg=1.18) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 88:sc= 1.26 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 4:sc= 0.0344 USER MOD Single : A 17 SER OG : rot 83:sc= 1.32 USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.305 USER MOD Single : A 28 LYS NZ :NH3+ 179:sc= 1.2 (180deg=1.19) USER MOD Single : A 32 GLN : amide:sc= 0.528 K(o=0.53,f=-4!) USER MOD Single : A 33 CYS SG : rot 180:sc= 0.0347 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0.326 K(o=0.33,f=-3.6!) USER MOD Single : A 38 THR OG1 : rot 85:sc= 1.15 USER MOD Single : A 41 GLN : amide:sc= 0.745 K(o=0.75,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 84:sc= 1.26 USER MOD Single : A 47 ASN : amide:sc= -0.0126 K(o=-0.013,f=-0.9) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.805 K(o=0.8,f=0) USER MOD Single : A 58 ASN : amide:sc= 0.37 K(o=0.37,f=-6.2!) USER MOD Single : A 63 GLN : amide:sc= 0.723 K(o=0.72,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 30:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -19:sc= 1.19 USER MOD Single : A 78 TYR OH : rot -87:sc= 0.0133 USER MOD Single : A 87 CYS SG : rot -170:sc= -0.384 USER MOD Single : A 90 THR OG1 : rot 73:sc= 0.949 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 162:sc= 1.13 (180deg=0.857) USER MOD Single : A 96 SER OG : rot 69:sc= 1.29 USER MOD Single : A 100 GLN : amide:sc= 1.67 K(o=1.7,f=-7.3!) USER MOD Single : A 107 MET CE :methyl 180:sc= -0.0698 (180deg=-0.0698) USER MOD Single : A 108 CYS SG : rot 78:sc= 0.48 USER MOD ----------------------------------------------------------------- ATOM 77 N ALA A 6 -4.544 9.196 -8.465 1.00 0.00 N ATOM 78 CA ALA A 6 -4.466 10.653 -8.403 1.00 0.00 C ATOM 79 C ALA A 6 -3.245 11.188 -7.625 1.00 0.00 C ATOM 80 O ALA A 6 -2.842 12.322 -7.876 1.00 0.00 O ATOM 81 CB ALA A 6 -5.776 11.164 -7.788 1.00 0.00 C ATOM 0 HA ALA A 6 -4.330 11.027 -9.418 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.750 12.252 -7.728 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.615 10.856 -8.411 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.895 10.748 -6.788 1.00 0.00 H new ATOM 87 N LEU A 7 -2.647 10.418 -6.705 1.00 0.00 N ATOM 88 CA LEU A 7 -1.598 10.893 -5.786 1.00 0.00 C ATOM 89 C LEU A 7 -0.330 11.300 -6.544 1.00 0.00 C ATOM 90 O LEU A 7 0.015 12.479 -6.604 1.00 0.00 O ATOM 91 CB LEU A 7 -1.364 9.802 -4.708 1.00 0.00 C ATOM 92 CG LEU A 7 -0.547 10.187 -3.452 1.00 0.00 C ATOM 93 CD1 LEU A 7 0.950 10.394 -3.718 1.00 0.00 C ATOM 94 CD2 LEU A 7 -1.130 11.420 -2.751 1.00 0.00 C ATOM 0 H LEU A 7 -2.880 9.434 -6.575 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.917 11.803 -5.279 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.339 9.446 -4.376 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.863 8.961 -5.187 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.631 9.324 -2.792 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.451 10.661 -2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.381 9.473 -4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.083 11.195 -4.445 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.528 11.658 -1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.122 12.267 -3.438 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.155 11.213 -2.443 1.00 0.00 H new ATOM 106 N LYS A 8 0.346 10.343 -7.184 1.00 0.00 N ATOM 107 CA LYS A 8 1.593 10.594 -7.928 1.00 0.00 C ATOM 108 C LYS A 8 1.366 11.505 -9.153 1.00 0.00 C ATOM 109 O LYS A 8 2.236 12.307 -9.497 1.00 0.00 O ATOM 110 CB LYS A 8 2.236 9.245 -8.301 1.00 0.00 C ATOM 111 CG LYS A 8 2.721 8.481 -7.054 1.00 0.00 C ATOM 112 CD LYS A 8 3.272 7.082 -7.370 1.00 0.00 C ATOM 113 CE LYS A 8 4.539 7.117 -8.239 1.00 0.00 C ATOM 114 NZ LYS A 8 5.078 5.748 -8.468 1.00 0.00 N ATOM 0 H LYS A 8 0.047 9.368 -7.204 1.00 0.00 H new ATOM 0 HA LYS A 8 2.286 11.142 -7.289 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.514 8.635 -8.843 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.077 9.416 -8.973 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.496 9.065 -6.558 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.894 8.387 -6.350 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.493 6.565 -6.436 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.504 6.502 -7.881 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.312 7.585 -9.197 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.297 7.732 -7.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.860 5.793 -9.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.426 5.357 -7.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.325 5.137 -8.843 1.00 0.00 H new ATOM 128 N THR A 9 0.158 11.461 -9.737 1.00 0.00 N ATOM 129 CA THR A 9 -0.331 12.357 -10.792 1.00 0.00 C ATOM 130 C THR A 9 -0.428 13.809 -10.316 1.00 0.00 C ATOM 131 O THR A 9 0.026 14.699 -11.029 1.00 0.00 O ATOM 132 CB THR A 9 -1.670 11.821 -11.291 1.00 0.00 C ATOM 133 OG1 THR A 9 -1.497 10.495 -11.743 1.00 0.00 O ATOM 134 CG2 THR A 9 -2.218 12.637 -12.449 1.00 0.00 C ATOM 0 H THR A 9 -0.538 10.764 -9.471 1.00 0.00 H new ATOM 0 HA THR A 9 0.382 12.373 -11.616 1.00 0.00 H new ATOM 0 HB THR A 9 -2.373 11.877 -10.460 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.354 10.144 -12.063 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.172 12.218 -12.770 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.364 13.669 -12.130 1.00 0.00 H new ATOM 0 HG23 THR A 9 -1.512 12.610 -13.279 1.00 0.00 H new ATOM 142 N THR A 10 -0.955 14.058 -9.108 1.00 0.00 N ATOM 143 CA THR A 10 -1.023 15.400 -8.497 1.00 0.00 C ATOM 144 C THR A 10 0.379 15.932 -8.228 1.00 0.00 C ATOM 145 O THR A 10 0.665 17.074 -8.580 1.00 0.00 O ATOM 146 CB THR A 10 -1.868 15.388 -7.213 1.00 0.00 C ATOM 147 OG1 THR A 10 -3.173 14.969 -7.534 1.00 0.00 O ATOM 148 CG2 THR A 10 -1.981 16.779 -6.584 1.00 0.00 C ATOM 0 H THR A 10 -1.352 13.326 -8.518 1.00 0.00 H new ATOM 0 HA THR A 10 -1.515 16.070 -9.203 1.00 0.00 H new ATOM 0 HB THR A 10 -1.379 14.718 -6.506 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.225 13.992 -7.482 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.587 16.721 -5.680 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.986 17.146 -6.332 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.451 17.462 -7.292 1.00 0.00 H new ATOM 156 N LEU A 11 1.269 15.109 -7.663 1.00 0.00 N ATOM 157 CA LEU A 11 2.673 15.477 -7.443 1.00 0.00 C ATOM 158 C LEU A 11 3.358 15.905 -8.748 1.00 0.00 C ATOM 159 O LEU A 11 3.912 17.003 -8.801 1.00 0.00 O ATOM 160 CB LEU A 11 3.422 14.316 -6.757 1.00 0.00 C ATOM 161 CG LEU A 11 2.970 14.011 -5.316 1.00 0.00 C ATOM 162 CD1 LEU A 11 3.731 12.786 -4.791 1.00 0.00 C ATOM 163 CD2 LEU A 11 3.227 15.209 -4.393 1.00 0.00 C ATOM 0 H LEU A 11 1.037 14.168 -7.345 1.00 0.00 H new ATOM 0 HA LEU A 11 2.702 16.342 -6.780 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.296 13.416 -7.359 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.487 14.547 -6.747 1.00 0.00 H new ATOM 0 HG LEU A 11 1.899 13.809 -5.326 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.412 12.569 -3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.521 11.927 -5.428 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.801 12.991 -4.800 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.899 14.967 -3.382 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.292 15.439 -4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.673 16.074 -4.757 1.00 0.00 H new ATOM 175 N ASP A 12 3.252 15.111 -9.817 1.00 0.00 N ATOM 176 CA ASP A 12 3.770 15.466 -11.144 1.00 0.00 C ATOM 177 C ASP A 12 3.186 16.792 -11.663 1.00 0.00 C ATOM 178 O ASP A 12 3.945 17.686 -12.034 1.00 0.00 O ATOM 179 CB ASP A 12 3.501 14.318 -12.125 1.00 0.00 C ATOM 180 CG ASP A 12 4.093 14.607 -13.513 1.00 0.00 C ATOM 181 OD1 ASP A 12 5.337 14.550 -13.655 1.00 0.00 O ATOM 182 OD2 ASP A 12 3.314 14.862 -14.461 1.00 0.00 O ATOM 0 H ASP A 12 2.801 14.197 -9.787 1.00 0.00 H new ATOM 0 HA ASP A 12 4.846 15.619 -11.058 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.928 13.396 -11.732 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.426 14.159 -12.214 1.00 0.00 H new ATOM 187 N LYS A 13 1.859 16.979 -11.603 1.00 0.00 N ATOM 188 CA LYS A 13 1.205 18.237 -11.994 1.00 0.00 C ATOM 189 C LYS A 13 1.660 19.430 -11.137 1.00 0.00 C ATOM 190 O LYS A 13 1.887 20.514 -11.674 1.00 0.00 O ATOM 191 CB LYS A 13 -0.326 18.064 -11.944 1.00 0.00 C ATOM 192 CG LYS A 13 -0.898 17.164 -13.056 1.00 0.00 C ATOM 193 CD LYS A 13 -0.849 17.805 -14.450 1.00 0.00 C ATOM 194 CE LYS A 13 -1.527 16.874 -15.467 1.00 0.00 C ATOM 195 NZ LYS A 13 -1.524 17.451 -16.838 1.00 0.00 N ATOM 0 H LYS A 13 1.209 16.262 -11.282 1.00 0.00 H new ATOM 0 HA LYS A 13 1.507 18.466 -13.016 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.601 17.645 -10.976 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.794 19.046 -12.011 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.341 16.227 -13.076 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.932 16.916 -12.815 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.352 18.772 -14.435 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.185 17.988 -14.742 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.014 15.913 -15.477 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.554 16.684 -15.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.991 16.792 -17.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.036 18.356 -16.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.543 17.609 -17.146 1.00 0.00 H new ATOM 209 N VAL A 14 1.864 19.250 -9.830 1.00 0.00 N ATOM 210 CA VAL A 14 2.455 20.274 -8.946 1.00 0.00 C ATOM 211 C VAL A 14 3.901 20.580 -9.360 1.00 0.00 C ATOM 212 O VAL A 14 4.236 21.748 -9.536 1.00 0.00 O ATOM 213 CB VAL A 14 2.338 19.898 -7.454 1.00 0.00 C ATOM 214 CG1 VAL A 14 3.217 20.760 -6.535 1.00 0.00 C ATOM 215 CG2 VAL A 14 0.880 20.023 -6.977 1.00 0.00 C ATOM 0 H VAL A 14 1.624 18.385 -9.346 1.00 0.00 H new ATOM 0 HA VAL A 14 1.877 21.190 -9.068 1.00 0.00 H new ATOM 0 HB VAL A 14 2.686 18.867 -7.386 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.085 20.441 -5.501 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.263 20.645 -6.819 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.928 21.806 -6.631 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.818 19.754 -5.923 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.541 21.050 -7.110 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.248 19.354 -7.560 1.00 0.00 H new ATOM 225 N VAL A 15 4.725 19.550 -9.587 1.00 0.00 N ATOM 226 CA VAL A 15 6.133 19.669 -10.009 1.00 0.00 C ATOM 227 C VAL A 15 6.300 20.419 -11.343 1.00 0.00 C ATOM 228 O VAL A 15 7.260 21.177 -11.485 1.00 0.00 O ATOM 229 CB VAL A 15 6.803 18.276 -10.048 1.00 0.00 C ATOM 230 CG1 VAL A 15 8.088 18.200 -10.886 1.00 0.00 C ATOM 231 CG2 VAL A 15 7.134 17.803 -8.622 1.00 0.00 C ATOM 0 H VAL A 15 4.425 18.581 -9.480 1.00 0.00 H new ATOM 0 HA VAL A 15 6.642 20.279 -9.262 1.00 0.00 H new ATOM 0 HB VAL A 15 6.069 17.630 -10.530 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.484 17.185 -10.853 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.865 18.469 -11.919 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.827 18.892 -10.482 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.605 16.821 -8.665 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.815 18.512 -8.152 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.216 17.740 -8.037 1.00 0.00 H new ATOM 241 N THR A 16 5.380 20.255 -12.306 1.00 0.00 N ATOM 242 CA THR A 16 5.409 20.980 -13.590 1.00 0.00 C ATOM 243 C THR A 16 4.768 22.364 -13.510 1.00 0.00 C ATOM 244 O THR A 16 5.224 23.275 -14.198 1.00 0.00 O ATOM 245 CB THR A 16 4.766 20.151 -14.707 1.00 0.00 C ATOM 246 OG1 THR A 16 3.442 19.815 -14.358 1.00 0.00 O ATOM 247 CG2 THR A 16 5.562 18.870 -14.969 1.00 0.00 C ATOM 0 H THR A 16 4.591 19.614 -12.218 1.00 0.00 H new ATOM 0 HA THR A 16 6.461 21.135 -13.828 1.00 0.00 H new ATOM 0 HB THR A 16 4.765 20.754 -15.615 1.00 0.00 H new ATOM 0 HG1 THR A 16 3.208 20.246 -13.509 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.084 18.301 -15.766 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.578 19.128 -15.267 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.592 18.268 -14.061 1.00 0.00 H new ATOM 255 N SER A 17 3.761 22.559 -12.657 1.00 0.00 N ATOM 256 CA SER A 17 3.124 23.873 -12.452 1.00 0.00 C ATOM 257 C SER A 17 4.035 24.867 -11.709 1.00 0.00 C ATOM 258 O SER A 17 4.061 26.054 -12.039 1.00 0.00 O ATOM 259 CB SER A 17 1.804 23.730 -11.672 1.00 0.00 C ATOM 260 OG SER A 17 0.871 22.906 -12.354 1.00 0.00 O ATOM 0 H SER A 17 3.360 21.815 -12.086 1.00 0.00 H new ATOM 0 HA SER A 17 2.929 24.269 -13.448 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.008 23.309 -10.688 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.368 24.716 -11.513 1.00 0.00 H new ATOM 0 HG SER A 17 1.062 21.965 -12.159 1.00 0.00 H new ATOM 266 N HIS A 18 4.805 24.388 -10.725 1.00 0.00 N ATOM 267 CA HIS A 18 5.806 25.159 -9.983 1.00 0.00 C ATOM 268 C HIS A 18 7.064 24.290 -9.816 1.00 0.00 C ATOM 269 O HIS A 18 7.019 23.266 -9.137 1.00 0.00 O ATOM 270 CB HIS A 18 5.243 25.546 -8.600 1.00 0.00 C ATOM 271 CG HIS A 18 3.951 26.327 -8.641 1.00 0.00 C ATOM 272 ND1 HIS A 18 3.821 27.695 -8.728 1.00 0.00 N ATOM 273 CD2 HIS A 18 2.687 25.804 -8.585 1.00 0.00 C ATOM 274 CE1 HIS A 18 2.507 27.985 -8.740 1.00 0.00 C ATOM 275 NE2 HIS A 18 1.768 26.861 -8.656 1.00 0.00 N ATOM 0 H HIS A 18 4.745 23.419 -10.414 1.00 0.00 H new ATOM 0 HA HIS A 18 6.056 26.071 -10.525 1.00 0.00 H new ATOM 0 HB2 HIS A 18 5.084 24.637 -8.020 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.991 26.135 -8.070 1.00 0.00 H new ATOM 0 HD2 HIS A 18 2.440 24.756 -8.501 1.00 0.00 H new ATOM 0 HE1 HIS A 18 2.100 28.983 -8.808 1.00 0.00 H new ATOM 0 HE2 HIS A 18 0.750 26.793 -8.646 1.00 0.00 H new ATOM 283 N LYS A 19 8.197 24.666 -10.429 1.00 0.00 N ATOM 284 CA LYS A 19 9.358 23.761 -10.479 1.00 0.00 C ATOM 285 C LYS A 19 9.953 23.440 -9.100 1.00 0.00 C ATOM 286 O LYS A 19 10.405 22.314 -8.906 1.00 0.00 O ATOM 287 CB LYS A 19 10.409 24.264 -11.483 1.00 0.00 C ATOM 288 CG LYS A 19 9.927 24.058 -12.932 1.00 0.00 C ATOM 289 CD LYS A 19 11.075 24.186 -13.943 1.00 0.00 C ATOM 290 CE LYS A 19 10.553 23.882 -15.356 1.00 0.00 C ATOM 291 NZ LYS A 19 11.654 23.690 -16.337 1.00 0.00 N ATOM 0 H LYS A 19 8.335 25.567 -10.887 1.00 0.00 H new ATOM 0 HA LYS A 19 8.988 22.803 -10.844 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.608 25.321 -11.308 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.348 23.733 -11.329 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.470 23.073 -13.025 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.155 24.791 -13.165 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.494 25.192 -13.908 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.879 23.497 -13.685 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.935 22.985 -15.327 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.913 24.699 -15.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.284 23.809 -17.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.400 24.393 -16.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.049 22.734 -16.233 1.00 0.00 H new ATOM 305 N VAL A 20 9.936 24.371 -8.143 1.00 0.00 N ATOM 306 CA VAL A 20 10.278 24.075 -6.735 1.00 0.00 C ATOM 307 C VAL A 20 9.037 23.528 -6.020 1.00 0.00 C ATOM 308 O VAL A 20 7.950 24.082 -6.151 1.00 0.00 O ATOM 309 CB VAL A 20 10.827 25.318 -5.996 1.00 0.00 C ATOM 310 CG1 VAL A 20 10.870 25.146 -4.469 1.00 0.00 C ATOM 311 CG2 VAL A 20 12.244 25.654 -6.482 1.00 0.00 C ATOM 0 H VAL A 20 9.688 25.346 -8.312 1.00 0.00 H new ATOM 0 HA VAL A 20 11.071 23.327 -6.726 1.00 0.00 H new ATOM 0 HB VAL A 20 10.135 26.127 -6.227 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.265 26.053 -4.012 1.00 0.00 H new ATOM 0 HG12 VAL A 20 9.863 24.960 -4.095 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.513 24.303 -4.216 1.00 0.00 H new ATOM 0 HG21 VAL A 20 12.613 26.531 -5.950 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.905 24.809 -6.289 1.00 0.00 H new ATOM 0 HG23 VAL A 20 12.222 25.861 -7.552 1.00 0.00 H new ATOM 321 N VAL A 21 9.216 22.486 -5.209 1.00 0.00 N ATOM 322 CA VAL A 21 8.171 21.945 -4.331 1.00 0.00 C ATOM 323 C VAL A 21 8.753 21.699 -2.938 1.00 0.00 C ATOM 324 O VAL A 21 9.775 21.028 -2.798 1.00 0.00 O ATOM 325 CB VAL A 21 7.564 20.639 -4.900 1.00 0.00 C ATOM 326 CG1 VAL A 21 6.326 20.224 -4.090 1.00 0.00 C ATOM 327 CG2 VAL A 21 7.154 20.784 -6.374 1.00 0.00 C ATOM 0 H VAL A 21 10.102 21.985 -5.140 1.00 0.00 H new ATOM 0 HA VAL A 21 7.365 22.676 -4.268 1.00 0.00 H new ATOM 0 HB VAL A 21 8.340 19.877 -4.826 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.912 19.304 -4.504 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.610 20.059 -3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.577 21.014 -4.140 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.734 19.843 -6.729 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.408 21.573 -6.468 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.029 21.039 -6.972 1.00 0.00 H new ATOM 337 N LEU A 22 8.102 22.250 -1.911 1.00 0.00 N ATOM 338 CA LEU A 22 8.379 21.962 -0.503 1.00 0.00 C ATOM 339 C LEU A 22 7.330 20.982 0.025 1.00 0.00 C ATOM 340 O LEU A 22 6.133 21.266 -0.045 1.00 0.00 O ATOM 341 CB LEU A 22 8.328 23.267 0.324 1.00 0.00 C ATOM 342 CG LEU A 22 9.597 24.138 0.375 1.00 0.00 C ATOM 343 CD1 LEU A 22 10.758 23.399 1.054 1.00 0.00 C ATOM 344 CD2 LEU A 22 10.025 24.672 -0.998 1.00 0.00 C ATOM 0 H LEU A 22 7.349 22.926 -2.039 1.00 0.00 H new ATOM 0 HA LEU A 22 9.373 21.524 -0.413 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.517 23.880 -0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.062 23.004 1.348 1.00 0.00 H new ATOM 0 HG LEU A 22 9.334 25.007 0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.638 24.043 1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.477 23.139 2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.986 22.490 0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.925 25.277 -0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.229 23.835 -1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.225 25.283 -1.416 1.00 0.00 H new ATOM 356 N PHE A 23 7.783 19.866 0.594 1.00 0.00 N ATOM 357 CA PHE A 23 6.957 18.919 1.344 1.00 0.00 C ATOM 358 C PHE A 23 7.122 19.253 2.826 1.00 0.00 C ATOM 359 O PHE A 23 8.232 19.192 3.352 1.00 0.00 O ATOM 360 CB PHE A 23 7.390 17.488 0.984 1.00 0.00 C ATOM 361 CG PHE A 23 7.211 17.174 -0.491 1.00 0.00 C ATOM 362 CD1 PHE A 23 5.934 17.280 -1.076 1.00 0.00 C ATOM 363 CD2 PHE A 23 8.317 16.831 -1.294 1.00 0.00 C ATOM 364 CE1 PHE A 23 5.768 17.076 -2.456 1.00 0.00 C ATOM 365 CE2 PHE A 23 8.144 16.598 -2.669 1.00 0.00 C ATOM 366 CZ PHE A 23 6.873 16.731 -3.255 1.00 0.00 C ATOM 0 H PHE A 23 8.763 19.587 0.545 1.00 0.00 H new ATOM 0 HA PHE A 23 5.898 18.991 1.096 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.437 17.350 1.256 1.00 0.00 H new ATOM 0 HB3 PHE A 23 6.811 16.778 1.575 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.079 17.519 -0.461 1.00 0.00 H new ATOM 0 HD2 PHE A 23 9.299 16.747 -0.852 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.791 17.184 -2.904 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.990 16.316 -3.278 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.745 16.569 -4.315 1.00 0.00 H new ATOM 376 N MET A 24 6.028 19.630 3.497 1.00 0.00 N ATOM 377 CA MET A 24 6.075 20.217 4.849 1.00 0.00 C ATOM 378 C MET A 24 4.792 20.039 5.669 1.00 0.00 C ATOM 379 O MET A 24 3.715 19.806 5.127 1.00 0.00 O ATOM 380 CB MET A 24 6.449 21.707 4.692 1.00 0.00 C ATOM 381 CG MET A 24 5.565 22.481 3.693 1.00 0.00 C ATOM 382 SD MET A 24 6.192 24.138 3.309 1.00 0.00 S ATOM 383 CE MET A 24 5.491 25.062 4.695 1.00 0.00 C ATOM 0 H MET A 24 5.084 19.539 3.122 1.00 0.00 H new ATOM 0 HA MET A 24 6.825 19.678 5.428 1.00 0.00 H new ATOM 0 HB2 MET A 24 6.384 22.190 5.667 1.00 0.00 H new ATOM 0 HB3 MET A 24 7.488 21.777 4.370 1.00 0.00 H new ATOM 0 HG2 MET A 24 5.486 21.908 2.769 1.00 0.00 H new ATOM 0 HG3 MET A 24 4.558 22.567 4.102 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.780 26.110 4.617 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.404 24.982 4.673 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.866 24.652 5.633 1.00 0.00 H new ATOM 393 N LYS A 25 4.903 20.158 6.995 1.00 0.00 N ATOM 394 CA LYS A 25 3.780 20.001 7.939 1.00 0.00 C ATOM 395 C LYS A 25 2.883 21.255 8.019 1.00 0.00 C ATOM 396 O LYS A 25 1.722 21.165 8.422 1.00 0.00 O ATOM 397 CB LYS A 25 4.338 19.637 9.326 1.00 0.00 C ATOM 398 CG LYS A 25 5.165 18.339 9.314 1.00 0.00 C ATOM 399 CD LYS A 25 5.488 17.826 10.726 1.00 0.00 C ATOM 400 CE LYS A 25 6.379 18.803 11.513 1.00 0.00 C ATOM 401 NZ LYS A 25 6.684 18.288 12.879 1.00 0.00 N ATOM 0 H LYS A 25 5.788 20.370 7.456 1.00 0.00 H new ATOM 0 HA LYS A 25 3.141 19.198 7.570 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.960 20.455 9.689 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.511 19.529 10.028 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.618 17.570 8.769 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.096 18.511 8.773 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.559 17.664 11.273 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.988 16.860 10.654 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.309 18.967 10.969 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.881 19.769 11.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.286 18.971 13.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.797 18.155 13.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.182 17.378 12.804 1.00 0.00 H new ATOM 415 N GLY A 26 3.416 22.414 7.608 1.00 0.00 N ATOM 416 CA GLY A 26 2.668 23.670 7.407 1.00 0.00 C ATOM 417 C GLY A 26 1.939 23.704 6.056 1.00 0.00 C ATOM 418 O GLY A 26 1.870 22.685 5.366 1.00 0.00 O ATOM 0 H GLY A 26 4.410 22.510 7.399 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.943 23.791 8.212 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.356 24.514 7.468 1.00 0.00 H new ATOM 422 N THR A 27 1.394 24.863 5.680 1.00 0.00 N ATOM 423 CA THR A 27 0.660 25.093 4.418 1.00 0.00 C ATOM 424 C THR A 27 1.228 26.298 3.667 1.00 0.00 C ATOM 425 O THR A 27 2.071 27.032 4.183 1.00 0.00 O ATOM 426 CB THR A 27 -0.844 25.292 4.691 1.00 0.00 C ATOM 427 OG1 THR A 27 -1.026 26.508 5.379 1.00 0.00 O ATOM 428 CG2 THR A 27 -1.467 24.179 5.533 1.00 0.00 C ATOM 0 H THR A 27 1.449 25.700 6.260 1.00 0.00 H new ATOM 0 HA THR A 27 0.785 24.210 3.792 1.00 0.00 H new ATOM 0 HB THR A 27 -1.338 25.286 3.720 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.980 26.644 5.556 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.526 24.387 5.684 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.354 23.226 5.017 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.965 24.130 6.499 1.00 0.00 H new ATOM 436 N LYS A 28 0.730 26.544 2.452 1.00 0.00 N ATOM 437 CA LYS A 28 1.011 27.776 1.697 1.00 0.00 C ATOM 438 C LYS A 28 0.359 29.041 2.303 1.00 0.00 C ATOM 439 O LYS A 28 0.825 30.155 2.053 1.00 0.00 O ATOM 440 CB LYS A 28 0.617 27.561 0.223 1.00 0.00 C ATOM 441 CG LYS A 28 -0.897 27.450 -0.030 1.00 0.00 C ATOM 442 CD LYS A 28 -1.213 27.012 -1.469 1.00 0.00 C ATOM 443 CE LYS A 28 -0.734 28.033 -2.512 1.00 0.00 C ATOM 444 NZ LYS A 28 -0.977 27.551 -3.895 1.00 0.00 N ATOM 0 H LYS A 28 0.118 25.894 1.959 1.00 0.00 H new ATOM 0 HA LYS A 28 2.081 27.972 1.761 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.010 28.388 -0.368 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.099 26.653 -0.139 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.329 26.734 0.669 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.368 28.413 0.167 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.741 26.049 -1.664 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.288 26.867 -1.574 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.251 28.981 -2.360 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.330 28.224 -2.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.658 28.271 -4.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.450 26.668 -4.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.993 27.376 -4.028 1.00 0.00 H new ATOM 458 N ASP A 29 -0.692 28.875 3.115 1.00 0.00 N ATOM 459 CA ASP A 29 -1.360 29.959 3.850 1.00 0.00 C ATOM 460 C ASP A 29 -0.642 30.299 5.172 1.00 0.00 C ATOM 461 O ASP A 29 -0.622 31.462 5.585 1.00 0.00 O ATOM 462 CB ASP A 29 -2.815 29.548 4.109 1.00 0.00 C ATOM 463 CG ASP A 29 -3.628 30.673 4.769 1.00 0.00 C ATOM 464 OD1 ASP A 29 -3.935 31.674 4.079 1.00 0.00 O ATOM 465 OD2 ASP A 29 -3.971 30.543 5.968 1.00 0.00 O ATOM 0 H ASP A 29 -1.113 27.961 3.284 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.327 30.864 3.243 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.285 29.268 3.166 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.833 28.666 4.749 1.00 0.00 H new ATOM 470 N PHE A 30 -0.013 29.300 5.809 1.00 0.00 N ATOM 471 CA PHE A 30 0.755 29.437 7.045 1.00 0.00 C ATOM 472 C PHE A 30 1.914 28.416 7.071 1.00 0.00 C ATOM 473 O PHE A 30 1.685 27.238 7.376 1.00 0.00 O ATOM 474 CB PHE A 30 -0.184 29.275 8.253 1.00 0.00 C ATOM 475 CG PHE A 30 0.515 29.462 9.586 1.00 0.00 C ATOM 476 CD1 PHE A 30 0.873 30.755 10.019 1.00 0.00 C ATOM 477 CD2 PHE A 30 0.832 28.347 10.390 1.00 0.00 C ATOM 478 CE1 PHE A 30 1.540 30.931 11.245 1.00 0.00 C ATOM 479 CE2 PHE A 30 1.496 28.527 11.615 1.00 0.00 C ATOM 480 CZ PHE A 30 1.852 29.817 12.044 1.00 0.00 C ATOM 0 H PHE A 30 -0.029 28.341 5.461 1.00 0.00 H new ATOM 0 HA PHE A 30 1.200 30.431 7.095 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.996 29.997 8.172 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.635 28.283 8.223 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.635 31.613 9.408 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.564 27.353 10.063 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.813 31.923 11.573 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.734 27.671 12.229 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.364 29.952 12.985 1.00 0.00 H new ATOM 490 N PRO A 31 3.160 28.832 6.752 1.00 0.00 N ATOM 491 CA PRO A 31 4.320 27.946 6.749 1.00 0.00 C ATOM 492 C PRO A 31 4.792 27.634 8.176 1.00 0.00 C ATOM 493 O PRO A 31 4.439 28.327 9.131 1.00 0.00 O ATOM 494 CB PRO A 31 5.387 28.685 5.932 1.00 0.00 C ATOM 495 CG PRO A 31 5.075 30.153 6.209 1.00 0.00 C ATOM 496 CD PRO A 31 3.549 30.168 6.316 1.00 0.00 C ATOM 0 HA PRO A 31 4.091 26.974 6.311 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.395 28.419 6.251 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.316 28.451 4.870 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.547 30.499 7.128 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.429 30.799 5.406 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.216 30.923 7.028 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.094 30.413 5.356 1.00 0.00 H new ATOM 504 N GLN A 32 5.627 26.597 8.315 1.00 0.00 N ATOM 505 CA GLN A 32 6.300 26.270 9.574 1.00 0.00 C ATOM 506 C GLN A 32 7.613 27.060 9.694 1.00 0.00 C ATOM 507 O GLN A 32 8.354 27.220 8.719 1.00 0.00 O ATOM 508 CB GLN A 32 6.497 24.747 9.722 1.00 0.00 C ATOM 509 CG GLN A 32 7.462 24.106 8.706 1.00 0.00 C ATOM 510 CD GLN A 32 7.562 22.592 8.875 1.00 0.00 C ATOM 511 OE1 GLN A 32 6.943 21.826 8.150 1.00 0.00 O ATOM 512 NE2 GLN A 32 8.324 22.101 9.830 1.00 0.00 N ATOM 0 H GLN A 32 5.855 25.959 7.552 1.00 0.00 H new ATOM 0 HA GLN A 32 5.666 26.574 10.407 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.865 24.541 10.727 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.525 24.261 9.632 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.125 24.335 7.695 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.452 24.548 8.820 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.845 22.730 10.441 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.393 21.092 9.959 1.00 0.00 H new ATOM 521 N CYS A 33 7.897 27.557 10.901 1.00 0.00 N ATOM 522 CA CYS A 33 9.079 28.369 11.194 1.00 0.00 C ATOM 523 C CYS A 33 10.396 27.568 11.136 1.00 0.00 C ATOM 524 O CYS A 33 10.417 26.336 11.237 1.00 0.00 O ATOM 525 CB CYS A 33 8.870 29.093 12.537 1.00 0.00 C ATOM 526 SG CYS A 33 8.697 27.905 13.904 1.00 0.00 S ATOM 0 H CYS A 33 7.302 27.403 11.715 1.00 0.00 H new ATOM 0 HA CYS A 33 9.190 29.117 10.409 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.714 29.755 12.732 1.00 0.00 H new ATOM 0 HB3 CYS A 33 7.980 29.719 12.481 1.00 0.00 H new ATOM 0 HG CYS A 33 8.525 28.549 15.020 1.00 0.00 H new ATOM 532 N GLY A 34 11.515 28.284 10.969 1.00 0.00 N ATOM 533 CA GLY A 34 12.858 27.701 10.864 1.00 0.00 C ATOM 534 C GLY A 34 13.130 27.188 9.454 1.00 0.00 C ATOM 535 O GLY A 34 13.381 27.987 8.552 1.00 0.00 O ATOM 0 H GLY A 34 11.512 29.302 10.902 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.604 28.450 11.131 1.00 0.00 H new ATOM 0 HA3 GLY A 34 12.958 26.883 11.577 1.00 0.00 H new ATOM 539 N PHE A 35 13.096 25.864 9.270 1.00 0.00 N ATOM 540 CA PHE A 35 13.511 25.166 8.045 1.00 0.00 C ATOM 541 C PHE A 35 12.773 25.669 6.797 1.00 0.00 C ATOM 542 O PHE A 35 13.365 26.346 5.955 1.00 0.00 O ATOM 543 CB PHE A 35 13.341 23.638 8.241 1.00 0.00 C ATOM 544 CG PHE A 35 14.527 22.892 8.840 1.00 0.00 C ATOM 545 CD1 PHE A 35 15.322 23.459 9.859 1.00 0.00 C ATOM 546 CD2 PHE A 35 14.847 21.608 8.351 1.00 0.00 C ATOM 547 CE1 PHE A 35 16.433 22.759 10.363 1.00 0.00 C ATOM 548 CE2 PHE A 35 15.958 20.908 8.857 1.00 0.00 C ATOM 549 CZ PHE A 35 16.754 21.487 9.861 1.00 0.00 C ATOM 0 H PHE A 35 12.768 25.225 9.994 1.00 0.00 H new ATOM 0 HA PHE A 35 14.564 25.387 7.868 1.00 0.00 H new ATOM 0 HB2 PHE A 35 12.475 23.471 8.881 1.00 0.00 H new ATOM 0 HB3 PHE A 35 13.113 23.193 7.272 1.00 0.00 H new ATOM 0 HD1 PHE A 35 15.076 24.434 10.253 1.00 0.00 H new ATOM 0 HD2 PHE A 35 14.235 21.159 7.583 1.00 0.00 H new ATOM 0 HE1 PHE A 35 17.041 23.201 11.138 1.00 0.00 H new ATOM 0 HE2 PHE A 35 16.199 19.927 8.475 1.00 0.00 H new ATOM 0 HZ PHE A 35 17.611 20.954 10.246 1.00 0.00 H new ATOM 559 N SER A 36 11.482 25.360 6.663 1.00 0.00 N ATOM 560 CA SER A 36 10.709 25.678 5.450 1.00 0.00 C ATOM 561 C SER A 36 10.664 27.189 5.197 1.00 0.00 C ATOM 562 O SER A 36 10.916 27.625 4.078 1.00 0.00 O ATOM 563 CB SER A 36 9.293 25.098 5.557 1.00 0.00 C ATOM 564 OG SER A 36 9.363 23.735 5.944 1.00 0.00 O ATOM 0 H SER A 36 10.941 24.885 7.385 1.00 0.00 H new ATOM 0 HA SER A 36 11.210 25.219 4.597 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.712 25.664 6.285 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.779 25.188 4.600 1.00 0.00 H new ATOM 0 HG SER A 36 8.457 23.368 6.013 1.00 0.00 H new ATOM 570 N GLN A 37 10.485 27.993 6.251 1.00 0.00 N ATOM 571 CA GLN A 37 10.534 29.461 6.217 1.00 0.00 C ATOM 572 C GLN A 37 11.842 29.979 5.593 1.00 0.00 C ATOM 573 O GLN A 37 11.804 30.852 4.724 1.00 0.00 O ATOM 574 CB GLN A 37 10.357 29.930 7.676 1.00 0.00 C ATOM 575 CG GLN A 37 10.474 31.446 7.911 1.00 0.00 C ATOM 576 CD GLN A 37 10.281 31.813 9.387 1.00 0.00 C ATOM 577 OE1 GLN A 37 10.740 31.130 10.298 1.00 0.00 O ATOM 578 NE2 GLN A 37 9.592 32.893 9.694 1.00 0.00 N ATOM 0 H GLN A 37 10.295 27.628 7.184 1.00 0.00 H new ATOM 0 HA GLN A 37 9.744 29.864 5.583 1.00 0.00 H new ATOM 0 HB2 GLN A 37 9.379 29.601 8.027 1.00 0.00 H new ATOM 0 HB3 GLN A 37 11.102 29.427 8.292 1.00 0.00 H new ATOM 0 HG2 GLN A 37 11.452 31.791 7.576 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.730 31.965 7.308 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.201 33.476 8.954 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.450 33.146 10.672 1.00 0.00 H new ATOM 587 N THR A 38 12.998 29.434 5.994 1.00 0.00 N ATOM 588 CA THR A 38 14.311 29.776 5.446 1.00 0.00 C ATOM 589 C THR A 38 14.438 29.309 3.999 1.00 0.00 C ATOM 590 O THR A 38 14.752 30.111 3.124 1.00 0.00 O ATOM 591 CB THR A 38 15.398 29.187 6.352 1.00 0.00 C ATOM 592 OG1 THR A 38 15.278 29.751 7.638 1.00 0.00 O ATOM 593 CG2 THR A 38 16.796 29.501 5.843 1.00 0.00 C ATOM 0 H THR A 38 13.044 28.726 6.727 1.00 0.00 H new ATOM 0 HA THR A 38 14.434 30.859 5.426 1.00 0.00 H new ATOM 0 HB THR A 38 15.262 28.106 6.367 1.00 0.00 H new ATOM 0 HG1 THR A 38 14.616 29.247 8.156 1.00 0.00 H new ATOM 0 HG21 THR A 38 17.535 29.064 6.515 1.00 0.00 H new ATOM 0 HG22 THR A 38 16.922 29.083 4.844 1.00 0.00 H new ATOM 0 HG23 THR A 38 16.935 30.581 5.804 1.00 0.00 H new ATOM 601 N VAL A 39 14.137 28.036 3.726 1.00 0.00 N ATOM 602 CA VAL A 39 14.267 27.446 2.376 1.00 0.00 C ATOM 603 C VAL A 39 13.350 28.145 1.358 1.00 0.00 C ATOM 604 O VAL A 39 13.801 28.454 0.257 1.00 0.00 O ATOM 605 CB VAL A 39 14.032 25.916 2.387 1.00 0.00 C ATOM 606 CG1 VAL A 39 14.049 25.319 0.968 1.00 0.00 C ATOM 607 CG2 VAL A 39 15.103 25.195 3.223 1.00 0.00 C ATOM 0 H VAL A 39 13.796 27.380 4.429 1.00 0.00 H new ATOM 0 HA VAL A 39 15.296 27.612 2.058 1.00 0.00 H new ATOM 0 HB VAL A 39 13.047 25.765 2.829 1.00 0.00 H new ATOM 0 HG11 VAL A 39 13.880 24.244 1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.262 25.779 0.370 1.00 0.00 H new ATOM 0 HG13 VAL A 39 15.017 25.511 0.504 1.00 0.00 H new ATOM 0 HG21 VAL A 39 14.912 24.122 3.212 1.00 0.00 H new ATOM 0 HG22 VAL A 39 16.088 25.392 2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 39 15.069 25.559 4.250 1.00 0.00 H new ATOM 617 N VAL A 40 12.098 28.455 1.726 1.00 0.00 N ATOM 618 CA VAL A 40 11.156 29.199 0.871 1.00 0.00 C ATOM 619 C VAL A 40 11.708 30.585 0.521 1.00 0.00 C ATOM 620 O VAL A 40 11.700 30.947 -0.652 1.00 0.00 O ATOM 621 CB VAL A 40 9.757 29.304 1.527 1.00 0.00 C ATOM 622 CG1 VAL A 40 8.864 30.384 0.889 1.00 0.00 C ATOM 623 CG2 VAL A 40 9.038 27.945 1.437 1.00 0.00 C ATOM 0 H VAL A 40 11.706 28.195 2.631 1.00 0.00 H new ATOM 0 HA VAL A 40 11.041 28.639 -0.057 1.00 0.00 H new ATOM 0 HB VAL A 40 9.923 29.592 2.565 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.899 30.404 1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.345 31.357 0.985 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.715 30.156 -0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.054 28.023 1.900 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.926 27.661 0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.625 27.188 1.957 1.00 0.00 H new ATOM 633 N GLN A 41 12.224 31.344 1.500 1.00 0.00 N ATOM 634 CA GLN A 41 12.776 32.681 1.239 1.00 0.00 C ATOM 635 C GLN A 41 14.018 32.628 0.339 1.00 0.00 C ATOM 636 O GLN A 41 14.115 33.432 -0.587 1.00 0.00 O ATOM 637 CB GLN A 41 13.097 33.382 2.569 1.00 0.00 C ATOM 638 CG GLN A 41 11.822 33.885 3.268 1.00 0.00 C ATOM 639 CD GLN A 41 12.133 34.430 4.662 1.00 0.00 C ATOM 640 OE1 GLN A 41 12.199 35.630 4.897 1.00 0.00 O ATOM 641 NE2 GLN A 41 12.359 33.566 5.630 1.00 0.00 N ATOM 0 H GLN A 41 12.270 31.055 2.477 1.00 0.00 H new ATOM 0 HA GLN A 41 12.021 33.255 0.702 1.00 0.00 H new ATOM 0 HB2 GLN A 41 13.624 32.691 3.227 1.00 0.00 H new ATOM 0 HB3 GLN A 41 13.767 34.222 2.386 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.358 34.665 2.665 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.102 33.071 3.346 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.306 32.565 5.443 1.00 0.00 H new ATOM 0 HE22 GLN A 41 12.587 33.898 6.567 1.00 0.00 H new ATOM 650 N ILE A 42 14.926 31.666 0.553 1.00 0.00 N ATOM 651 CA ILE A 42 16.146 31.496 -0.265 1.00 0.00 C ATOM 652 C ILE A 42 15.796 31.243 -1.736 1.00 0.00 C ATOM 653 O ILE A 42 16.279 31.956 -2.614 1.00 0.00 O ATOM 654 CB ILE A 42 17.025 30.361 0.338 1.00 0.00 C ATOM 655 CG1 ILE A 42 17.702 30.858 1.638 1.00 0.00 C ATOM 656 CG2 ILE A 42 18.092 29.850 -0.655 1.00 0.00 C ATOM 657 CD1 ILE A 42 18.419 29.758 2.432 1.00 0.00 C ATOM 0 H ILE A 42 14.839 30.978 1.301 1.00 0.00 H new ATOM 0 HA ILE A 42 16.725 32.419 -0.242 1.00 0.00 H new ATOM 0 HB ILE A 42 16.367 29.521 0.560 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.422 31.636 1.385 1.00 0.00 H new ATOM 0 HG13 ILE A 42 16.947 31.317 2.275 1.00 0.00 H new ATOM 0 HG21 ILE A 42 18.678 29.060 -0.185 1.00 0.00 H new ATOM 0 HG22 ILE A 42 17.602 29.458 -1.546 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.751 30.672 -0.936 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.866 30.189 3.328 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.701 28.989 2.719 1.00 0.00 H new ATOM 0 HD13 ILE A 42 19.199 29.313 1.814 1.00 0.00 H new ATOM 669 N LEU A 43 14.935 30.258 -2.010 1.00 0.00 N ATOM 670 CA LEU A 43 14.574 29.857 -3.376 1.00 0.00 C ATOM 671 C LEU A 43 13.761 30.935 -4.087 1.00 0.00 C ATOM 672 O LEU A 43 14.088 31.323 -5.211 1.00 0.00 O ATOM 673 CB LEU A 43 13.811 28.527 -3.320 1.00 0.00 C ATOM 674 CG LEU A 43 14.662 27.350 -2.808 1.00 0.00 C ATOM 675 CD1 LEU A 43 13.745 26.153 -2.578 1.00 0.00 C ATOM 676 CD2 LEU A 43 15.766 26.950 -3.801 1.00 0.00 C ATOM 0 H LEU A 43 14.466 29.713 -1.287 1.00 0.00 H new ATOM 0 HA LEU A 43 15.486 29.726 -3.958 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.941 28.644 -2.674 1.00 0.00 H new ATOM 0 HB3 LEU A 43 13.439 28.289 -4.316 1.00 0.00 H new ATOM 0 HG LEU A 43 15.149 27.663 -1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 43 14.332 25.309 -2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.987 26.412 -1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 43 13.260 25.881 -3.515 1.00 0.00 H new ATOM 0 HD21 LEU A 43 16.337 26.116 -3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 43 15.314 26.652 -4.747 1.00 0.00 H new ATOM 0 HD23 LEU A 43 16.430 27.798 -3.968 1.00 0.00 H new ATOM 688 N LYS A 44 12.732 31.469 -3.420 1.00 0.00 N ATOM 689 CA LYS A 44 11.933 32.577 -3.947 1.00 0.00 C ATOM 690 C LYS A 44 12.859 33.711 -4.418 1.00 0.00 C ATOM 691 O LYS A 44 12.823 34.058 -5.598 1.00 0.00 O ATOM 692 CB LYS A 44 10.924 33.022 -2.873 1.00 0.00 C ATOM 693 CG LYS A 44 9.959 34.107 -3.375 1.00 0.00 C ATOM 694 CD LYS A 44 8.977 34.514 -2.269 1.00 0.00 C ATOM 695 CE LYS A 44 7.992 35.565 -2.800 1.00 0.00 C ATOM 696 NZ LYS A 44 7.024 35.999 -1.755 1.00 0.00 N ATOM 0 H LYS A 44 12.431 31.145 -2.501 1.00 0.00 H new ATOM 0 HA LYS A 44 11.361 32.264 -4.820 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.350 32.157 -2.540 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.466 33.398 -2.005 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.524 34.979 -3.705 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.408 33.738 -4.240 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.432 33.639 -1.916 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.524 34.915 -1.416 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.546 36.431 -3.163 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.448 35.155 -3.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.377 36.709 -2.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.477 35.178 -1.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.541 36.414 -0.954 1.00 0.00 H new ATOM 710 N SER A 45 13.759 34.171 -3.535 1.00 0.00 N ATOM 711 CA SER A 45 14.717 35.268 -3.771 1.00 0.00 C ATOM 712 C SER A 45 15.785 34.958 -4.838 1.00 0.00 C ATOM 713 O SER A 45 16.181 35.861 -5.582 1.00 0.00 O ATOM 714 CB SER A 45 15.444 35.639 -2.465 1.00 0.00 C ATOM 715 OG SER A 45 14.543 35.926 -1.404 1.00 0.00 O ATOM 0 H SER A 45 13.845 33.775 -2.599 1.00 0.00 H new ATOM 0 HA SER A 45 14.111 36.095 -4.142 1.00 0.00 H new ATOM 0 HB2 SER A 45 16.097 34.818 -2.171 1.00 0.00 H new ATOM 0 HB3 SER A 45 16.081 36.506 -2.641 1.00 0.00 H new ATOM 0 HG SER A 45 14.268 35.090 -0.973 1.00 0.00 H new ATOM 721 N LEU A 46 16.226 33.693 -4.956 1.00 0.00 N ATOM 722 CA LEU A 46 17.079 33.215 -6.054 1.00 0.00 C ATOM 723 C LEU A 46 16.390 33.387 -7.426 1.00 0.00 C ATOM 724 O LEU A 46 17.080 33.521 -8.437 1.00 0.00 O ATOM 725 CB LEU A 46 17.458 31.752 -5.745 1.00 0.00 C ATOM 726 CG LEU A 46 18.340 31.034 -6.785 1.00 0.00 C ATOM 727 CD1 LEU A 46 19.669 31.763 -7.026 1.00 0.00 C ATOM 728 CD2 LEU A 46 18.613 29.604 -6.298 1.00 0.00 C ATOM 0 H LEU A 46 15.995 32.965 -4.280 1.00 0.00 H new ATOM 0 HA LEU A 46 17.989 33.812 -6.123 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.975 31.729 -4.786 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.538 31.180 -5.625 1.00 0.00 H new ATOM 0 HG LEU A 46 17.804 31.023 -7.734 1.00 0.00 H new ATOM 0 HD11 LEU A 46 20.254 31.218 -7.766 1.00 0.00 H new ATOM 0 HD12 LEU A 46 19.470 32.771 -7.391 1.00 0.00 H new ATOM 0 HD13 LEU A 46 20.228 31.819 -6.092 1.00 0.00 H new ATOM 0 HD21 LEU A 46 19.237 29.085 -7.026 1.00 0.00 H new ATOM 0 HD22 LEU A 46 19.128 29.639 -5.338 1.00 0.00 H new ATOM 0 HD23 LEU A 46 17.669 29.072 -6.184 1.00 0.00 H new ATOM 740 N ASN A 47 15.048 33.407 -7.424 1.00 0.00 N ATOM 741 CA ASN A 47 14.083 33.753 -8.488 1.00 0.00 C ATOM 742 C ASN A 47 13.286 32.511 -8.931 1.00 0.00 C ATOM 743 O ASN A 47 13.184 32.212 -10.124 1.00 0.00 O ATOM 744 CB ASN A 47 14.688 34.565 -9.657 1.00 0.00 C ATOM 745 CG ASN A 47 13.636 35.193 -10.572 1.00 0.00 C ATOM 746 OD1 ASN A 47 12.473 35.361 -10.221 1.00 0.00 O ATOM 747 ND2 ASN A 47 14.023 35.579 -11.776 1.00 0.00 N ATOM 0 H ASN A 47 14.549 33.150 -6.572 1.00 0.00 H new ATOM 0 HA ASN A 47 13.369 34.451 -8.050 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.322 35.353 -9.251 1.00 0.00 H new ATOM 0 HB3 ASN A 47 15.330 33.912 -10.249 1.00 0.00 H new ATOM 0 HD21 ASN A 47 13.355 36.016 -12.411 1.00 0.00 H new ATOM 0 HD22 ASN A 47 14.990 35.440 -12.070 1.00 0.00 H new ATOM 754 N ALA A 48 12.775 31.746 -7.957 1.00 0.00 N ATOM 755 CA ALA A 48 12.186 30.419 -8.219 1.00 0.00 C ATOM 756 C ALA A 48 10.649 30.360 -8.031 1.00 0.00 C ATOM 757 O ALA A 48 10.161 30.809 -6.987 1.00 0.00 O ATOM 758 CB ALA A 48 12.867 29.381 -7.316 1.00 0.00 C ATOM 0 H ALA A 48 12.756 32.022 -6.975 1.00 0.00 H new ATOM 0 HA ALA A 48 12.363 30.199 -9.272 1.00 0.00 H new ATOM 0 HB1 ALA A 48 12.437 28.397 -7.504 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.935 29.357 -7.531 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.713 29.651 -6.271 1.00 0.00 H new ATOM 764 N PRO A 49 9.891 29.768 -8.985 1.00 0.00 N ATOM 765 CA PRO A 49 8.474 29.459 -8.810 1.00 0.00 C ATOM 766 C PRO A 49 8.337 28.203 -7.938 1.00 0.00 C ATOM 767 O PRO A 49 8.867 27.139 -8.271 1.00 0.00 O ATOM 768 CB PRO A 49 7.920 29.256 -10.225 1.00 0.00 C ATOM 769 CG PRO A 49 9.122 28.734 -11.011 1.00 0.00 C ATOM 770 CD PRO A 49 10.306 29.433 -10.344 1.00 0.00 C ATOM 0 HA PRO A 49 7.919 30.248 -8.303 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.095 28.543 -10.234 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.541 30.188 -10.644 1.00 0.00 H new ATOM 0 HG2 PRO A 49 9.206 27.649 -10.945 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.051 28.985 -12.069 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.181 28.783 -10.331 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.584 30.331 -10.895 1.00 0.00 H new ATOM 778 N PHE A 50 7.621 28.336 -6.817 1.00 0.00 N ATOM 779 CA PHE A 50 7.541 27.316 -5.768 1.00 0.00 C ATOM 780 C PHE A 50 6.104 27.011 -5.308 1.00 0.00 C ATOM 781 O PHE A 50 5.190 27.817 -5.508 1.00 0.00 O ATOM 782 CB PHE A 50 8.445 27.726 -4.589 1.00 0.00 C ATOM 783 CG PHE A 50 7.847 28.740 -3.635 1.00 0.00 C ATOM 784 CD1 PHE A 50 7.819 30.108 -3.972 1.00 0.00 C ATOM 785 CD2 PHE A 50 7.299 28.309 -2.414 1.00 0.00 C ATOM 786 CE1 PHE A 50 7.200 31.032 -3.112 1.00 0.00 C ATOM 787 CE2 PHE A 50 6.682 29.233 -1.555 1.00 0.00 C ATOM 788 CZ PHE A 50 6.625 30.594 -1.906 1.00 0.00 C ATOM 0 H PHE A 50 7.072 29.170 -6.610 1.00 0.00 H new ATOM 0 HA PHE A 50 7.900 26.379 -6.195 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.706 26.831 -4.025 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.374 28.132 -4.989 1.00 0.00 H new ATOM 0 HD1 PHE A 50 8.273 30.447 -4.891 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.353 27.267 -2.137 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.166 32.078 -3.378 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.251 28.898 -0.623 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.140 31.302 -1.250 1.00 0.00 H new ATOM 798 N GLU A 51 5.922 25.852 -4.666 1.00 0.00 N ATOM 799 CA GLU A 51 4.689 25.461 -3.983 1.00 0.00 C ATOM 800 C GLU A 51 5.012 24.821 -2.623 1.00 0.00 C ATOM 801 O GLU A 51 6.000 24.101 -2.477 1.00 0.00 O ATOM 802 CB GLU A 51 3.869 24.513 -4.878 1.00 0.00 C ATOM 803 CG GLU A 51 2.546 24.013 -4.271 1.00 0.00 C ATOM 804 CD GLU A 51 1.569 25.153 -3.937 1.00 0.00 C ATOM 805 OE1 GLU A 51 1.798 25.874 -2.938 1.00 0.00 O ATOM 806 OE2 GLU A 51 0.552 25.316 -4.652 1.00 0.00 O ATOM 0 H GLU A 51 6.651 25.141 -4.607 1.00 0.00 H new ATOM 0 HA GLU A 51 4.085 26.348 -3.793 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.649 25.025 -5.815 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.486 23.649 -5.124 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.069 23.326 -4.970 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.760 23.448 -3.364 1.00 0.00 H new ATOM 813 N SER A 52 4.161 25.063 -1.630 1.00 0.00 N ATOM 814 CA SER A 52 4.278 24.535 -0.265 1.00 0.00 C ATOM 815 C SER A 52 3.201 23.461 -0.034 1.00 0.00 C ATOM 816 O SER A 52 2.062 23.770 0.322 1.00 0.00 O ATOM 817 CB SER A 52 4.152 25.676 0.759 1.00 0.00 C ATOM 818 OG SER A 52 5.286 26.533 0.709 1.00 0.00 O ATOM 0 H SER A 52 3.339 25.654 -1.754 1.00 0.00 H new ATOM 0 HA SER A 52 5.258 24.076 -0.135 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.248 26.251 0.559 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.050 25.260 1.761 1.00 0.00 H new ATOM 0 HG SER A 52 5.182 27.251 1.368 1.00 0.00 H new ATOM 824 N VAL A 53 3.550 22.190 -0.264 1.00 0.00 N ATOM 825 CA VAL A 53 2.628 21.046 -0.179 1.00 0.00 C ATOM 826 C VAL A 53 2.516 20.593 1.277 1.00 0.00 C ATOM 827 O VAL A 53 3.510 20.213 1.896 1.00 0.00 O ATOM 828 CB VAL A 53 3.087 19.878 -1.084 1.00 0.00 C ATOM 829 CG1 VAL A 53 2.206 18.627 -0.919 1.00 0.00 C ATOM 830 CG2 VAL A 53 3.062 20.296 -2.563 1.00 0.00 C ATOM 0 H VAL A 53 4.500 21.920 -0.520 1.00 0.00 H new ATOM 0 HA VAL A 53 1.648 21.362 -0.536 1.00 0.00 H new ATOM 0 HB VAL A 53 4.103 19.633 -0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.570 17.837 -1.575 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.247 18.287 0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.176 18.870 -1.180 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.388 19.461 -3.183 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.048 20.582 -2.843 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.732 21.143 -2.713 1.00 0.00 H new ATOM 840 N ASN A 54 1.288 20.610 1.799 1.00 0.00 N ATOM 841 CA ASN A 54 0.969 20.116 3.135 1.00 0.00 C ATOM 842 C ASN A 54 0.980 18.578 3.179 1.00 0.00 C ATOM 843 O ASN A 54 0.243 17.923 2.437 1.00 0.00 O ATOM 844 CB ASN A 54 -0.398 20.669 3.558 1.00 0.00 C ATOM 845 CG ASN A 54 -0.793 20.174 4.946 1.00 0.00 C ATOM 846 OD1 ASN A 54 -1.715 19.385 5.113 1.00 0.00 O ATOM 847 ND2 ASN A 54 -0.081 20.605 5.969 1.00 0.00 N ATOM 0 H ASN A 54 0.478 20.973 1.297 1.00 0.00 H new ATOM 0 HA ASN A 54 1.731 20.460 3.834 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -0.369 21.759 3.553 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.154 20.367 2.833 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.296 20.281 6.912 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.684 21.262 5.817 1.00 0.00 H new ATOM 854 N ILE A 55 1.799 17.999 4.059 1.00 0.00 N ATOM 855 CA ILE A 55 1.923 16.542 4.266 1.00 0.00 C ATOM 856 C ILE A 55 1.550 16.148 5.711 1.00 0.00 C ATOM 857 O ILE A 55 1.022 16.965 6.468 1.00 0.00 O ATOM 858 CB ILE A 55 3.345 16.062 3.852 1.00 0.00 C ATOM 859 CG1 ILE A 55 4.464 16.519 4.817 1.00 0.00 C ATOM 860 CG2 ILE A 55 3.674 16.518 2.419 1.00 0.00 C ATOM 861 CD1 ILE A 55 5.722 15.653 4.730 1.00 0.00 C ATOM 0 H ILE A 55 2.414 18.539 4.667 1.00 0.00 H new ATOM 0 HA ILE A 55 1.209 16.028 3.622 1.00 0.00 H new ATOM 0 HB ILE A 55 3.316 14.974 3.902 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.726 17.554 4.596 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.085 16.498 5.839 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.672 16.173 2.147 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.944 16.098 1.727 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.639 17.606 2.366 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.469 16.025 5.431 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.472 14.622 4.980 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.123 15.694 3.717 1.00 0.00 H new ATOM 873 N LEU A 56 1.826 14.894 6.091 1.00 0.00 N ATOM 874 CA LEU A 56 1.764 14.335 7.457 1.00 0.00 C ATOM 875 C LEU A 56 0.323 14.049 7.902 1.00 0.00 C ATOM 876 O LEU A 56 0.003 12.902 8.205 1.00 0.00 O ATOM 877 CB LEU A 56 2.546 15.227 8.465 1.00 0.00 C ATOM 878 CG LEU A 56 3.625 14.502 9.296 1.00 0.00 C ATOM 879 CD1 LEU A 56 3.057 13.325 10.102 1.00 0.00 C ATOM 880 CD2 LEU A 56 4.796 14.052 8.407 1.00 0.00 C ATOM 0 H LEU A 56 2.118 14.192 5.411 1.00 0.00 H new ATOM 0 HA LEU A 56 2.263 13.366 7.441 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.021 16.038 7.913 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.831 15.684 9.149 1.00 0.00 H new ATOM 0 HG LEU A 56 4.002 15.224 10.021 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.859 12.851 10.668 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.294 13.690 10.790 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.614 12.598 9.421 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.542 13.544 9.018 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.429 13.370 7.640 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.248 14.923 7.932 1.00 0.00 H new ATOM 892 N GLU A 57 -0.548 15.058 7.887 1.00 0.00 N ATOM 893 CA GLU A 57 -1.990 14.896 8.109 1.00 0.00 C ATOM 894 C GLU A 57 -2.631 14.114 6.947 1.00 0.00 C ATOM 895 O GLU A 57 -3.434 13.207 7.170 1.00 0.00 O ATOM 896 CB GLU A 57 -2.632 16.284 8.283 1.00 0.00 C ATOM 897 CG GLU A 57 -4.101 16.195 8.708 1.00 0.00 C ATOM 898 CD GLU A 57 -4.685 17.588 8.978 1.00 0.00 C ATOM 899 OE1 GLU A 57 -4.530 18.102 10.112 1.00 0.00 O ATOM 900 OE2 GLU A 57 -5.318 18.172 8.066 1.00 0.00 O ATOM 0 H GLU A 57 -0.271 16.025 7.718 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.161 14.318 9.017 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.074 16.849 9.029 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.560 16.835 7.346 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.679 15.700 7.927 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.186 15.582 9.605 1.00 0.00 H new ATOM 907 N ASN A 58 -2.220 14.410 5.705 1.00 0.00 N ATOM 908 CA ASN A 58 -2.589 13.639 4.514 1.00 0.00 C ATOM 909 C ASN A 58 -1.828 12.297 4.481 1.00 0.00 C ATOM 910 O ASN A 58 -0.618 12.263 4.247 1.00 0.00 O ATOM 911 CB ASN A 58 -2.334 14.503 3.264 1.00 0.00 C ATOM 912 CG ASN A 58 -2.811 13.828 1.979 1.00 0.00 C ATOM 913 OD1 ASN A 58 -2.411 12.718 1.655 1.00 0.00 O ATOM 914 ND2 ASN A 58 -3.677 14.465 1.213 1.00 0.00 N ATOM 0 H ASN A 58 -1.613 15.204 5.499 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.649 13.386 4.538 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.843 15.460 3.378 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -1.268 14.716 3.185 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.012 14.032 0.352 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.011 15.390 1.482 1.00 0.00 H new ATOM 921 N GLU A 59 -2.538 11.188 4.701 1.00 0.00 N ATOM 922 CA GLU A 59 -1.959 9.841 4.835 1.00 0.00 C ATOM 923 C GLU A 59 -1.471 9.248 3.502 1.00 0.00 C ATOM 924 O GLU A 59 -0.518 8.466 3.484 1.00 0.00 O ATOM 925 CB GLU A 59 -3.009 8.952 5.527 1.00 0.00 C ATOM 926 CG GLU A 59 -2.505 7.546 5.870 1.00 0.00 C ATOM 927 CD GLU A 59 -3.339 6.929 7.003 1.00 0.00 C ATOM 928 OE1 GLU A 59 -3.025 7.195 8.188 1.00 0.00 O ATOM 929 OE2 GLU A 59 -4.305 6.184 6.714 1.00 0.00 O ATOM 0 H GLU A 59 -3.554 11.197 4.794 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.055 9.898 5.441 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.339 9.442 6.443 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.882 8.866 4.879 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.557 6.910 4.986 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.457 7.593 6.167 1.00 0.00 H new ATOM 936 N LEU A 60 -2.062 9.645 2.369 1.00 0.00 N ATOM 937 CA LEU A 60 -1.606 9.234 1.039 1.00 0.00 C ATOM 938 C LEU A 60 -0.238 9.846 0.715 1.00 0.00 C ATOM 939 O LEU A 60 0.663 9.130 0.289 1.00 0.00 O ATOM 940 CB LEU A 60 -2.662 9.600 -0.023 1.00 0.00 C ATOM 941 CG LEU A 60 -4.038 8.918 0.139 1.00 0.00 C ATOM 942 CD1 LEU A 60 -4.997 9.466 -0.926 1.00 0.00 C ATOM 943 CD2 LEU A 60 -3.943 7.390 0.008 1.00 0.00 C ATOM 0 H LEU A 60 -2.873 10.263 2.350 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.483 8.151 1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.808 10.680 -0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.265 9.347 -1.006 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.409 9.139 1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.971 8.989 -0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.104 10.543 -0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.598 9.255 -1.918 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.934 6.952 0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.550 7.133 -0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.278 6.999 0.778 1.00 0.00 H new ATOM 955 N LEU A 61 -0.037 11.140 0.997 1.00 0.00 N ATOM 956 CA LEU A 61 1.263 11.814 0.856 1.00 0.00 C ATOM 957 C LEU A 61 2.299 11.273 1.853 1.00 0.00 C ATOM 958 O LEU A 61 3.437 11.031 1.457 1.00 0.00 O ATOM 959 CB LEU A 61 1.077 13.341 1.006 1.00 0.00 C ATOM 960 CG LEU A 61 0.362 14.014 -0.188 1.00 0.00 C ATOM 961 CD1 LEU A 61 0.075 15.483 0.142 1.00 0.00 C ATOM 962 CD2 LEU A 61 1.215 13.960 -1.463 1.00 0.00 C ATOM 0 H LEU A 61 -0.778 11.755 1.333 1.00 0.00 H new ATOM 0 HA LEU A 61 1.653 11.604 -0.140 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.507 13.539 1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.055 13.804 1.136 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.566 13.469 -0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.429 15.954 -0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.564 15.540 1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.013 16.002 0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.679 14.443 -2.280 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.159 14.478 -1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.414 12.921 -1.724 1.00 0.00 H new ATOM 974 N ARG A 62 1.899 11.005 3.108 1.00 0.00 N ATOM 975 CA ARG A 62 2.771 10.416 4.146 1.00 0.00 C ATOM 976 C ARG A 62 3.421 9.093 3.686 1.00 0.00 C ATOM 977 O ARG A 62 4.582 8.828 3.992 1.00 0.00 O ATOM 978 CB ARG A 62 1.954 10.204 5.438 1.00 0.00 C ATOM 979 CG ARG A 62 2.839 10.084 6.696 1.00 0.00 C ATOM 980 CD ARG A 62 2.107 9.454 7.892 1.00 0.00 C ATOM 981 NE ARG A 62 0.842 10.150 8.207 1.00 0.00 N ATOM 982 CZ ARG A 62 -0.332 9.599 8.490 1.00 0.00 C ATOM 983 NH1 ARG A 62 -0.494 8.304 8.624 1.00 0.00 N ATOM 984 NH2 ARG A 62 -1.380 10.378 8.629 1.00 0.00 N ATOM 0 H ARG A 62 0.952 11.192 3.436 1.00 0.00 H new ATOM 0 HA ARG A 62 3.588 11.112 4.337 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.262 11.037 5.565 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.351 9.301 5.337 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.718 9.484 6.459 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.196 11.075 6.977 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.898 8.406 7.676 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.758 9.476 8.766 1.00 0.00 H new ATOM 0 HE ARG A 62 0.875 11.169 8.207 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.302 7.676 8.510 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.416 7.925 8.842 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.283 11.387 8.519 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.291 9.974 8.846 1.00 0.00 H new ATOM 998 N GLN A 63 2.673 8.268 2.944 1.00 0.00 N ATOM 999 CA GLN A 63 3.148 6.998 2.379 1.00 0.00 C ATOM 1000 C GLN A 63 3.852 7.181 1.024 1.00 0.00 C ATOM 1001 O GLN A 63 4.926 6.619 0.808 1.00 0.00 O ATOM 1002 CB GLN A 63 1.940 6.062 2.203 1.00 0.00 C ATOM 1003 CG GLN A 63 1.343 5.590 3.540 1.00 0.00 C ATOM 1004 CD GLN A 63 0.012 4.873 3.320 1.00 0.00 C ATOM 1005 OE1 GLN A 63 -0.082 3.651 3.301 1.00 0.00 O ATOM 1006 NE2 GLN A 63 -1.061 5.609 3.114 1.00 0.00 N ATOM 0 H GLN A 63 1.700 8.468 2.714 1.00 0.00 H new ATOM 0 HA GLN A 63 3.881 6.576 3.067 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.169 6.577 1.629 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.244 5.192 1.620 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.043 4.920 4.039 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.195 6.446 4.199 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.992 6.627 3.128 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.961 5.161 2.940 1.00 0.00 H new ATOM 1015 N GLY A 64 3.265 7.965 0.108 1.00 0.00 N ATOM 1016 CA GLY A 64 3.703 8.050 -1.290 1.00 0.00 C ATOM 1017 C GLY A 64 4.975 8.853 -1.525 1.00 0.00 C ATOM 1018 O GLY A 64 5.736 8.516 -2.432 1.00 0.00 O ATOM 0 H GLY A 64 2.466 8.563 0.320 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.856 7.039 -1.668 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.900 8.492 -1.879 1.00 0.00 H new ATOM 1022 N LEU A 65 5.253 9.879 -0.713 1.00 0.00 N ATOM 1023 CA LEU A 65 6.450 10.714 -0.886 1.00 0.00 C ATOM 1024 C LEU A 65 7.751 9.961 -0.603 1.00 0.00 C ATOM 1025 O LEU A 65 8.774 10.282 -1.204 1.00 0.00 O ATOM 1026 CB LEU A 65 6.329 11.981 -0.025 1.00 0.00 C ATOM 1027 CG LEU A 65 5.295 12.980 -0.573 1.00 0.00 C ATOM 1028 CD1 LEU A 65 5.061 14.077 0.466 1.00 0.00 C ATOM 1029 CD2 LEU A 65 5.767 13.628 -1.882 1.00 0.00 C ATOM 0 H LEU A 65 4.664 10.153 0.073 1.00 0.00 H new ATOM 0 HA LEU A 65 6.502 11.001 -1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.052 11.699 0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.302 12.469 0.034 1.00 0.00 H new ATOM 0 HG LEU A 65 4.374 12.434 -0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.329 14.789 0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.687 13.631 1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.999 14.594 0.667 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.009 14.327 -2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.700 14.163 -1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.927 12.855 -2.634 1.00 0.00 H new ATOM 1041 N LYS A 66 7.720 8.916 0.230 1.00 0.00 N ATOM 1042 CA LYS A 66 8.879 8.043 0.460 1.00 0.00 C ATOM 1043 C LYS A 66 9.314 7.321 -0.832 1.00 0.00 C ATOM 1044 O LYS A 66 10.506 7.260 -1.128 1.00 0.00 O ATOM 1045 CB LYS A 66 8.551 7.049 1.591 1.00 0.00 C ATOM 1046 CG LYS A 66 8.260 7.754 2.928 1.00 0.00 C ATOM 1047 CD LYS A 66 8.014 6.736 4.048 1.00 0.00 C ATOM 1048 CE LYS A 66 7.707 7.468 5.363 1.00 0.00 C ATOM 1049 NZ LYS A 66 7.505 6.517 6.489 1.00 0.00 N ATOM 0 H LYS A 66 6.893 8.650 0.764 1.00 0.00 H new ATOM 0 HA LYS A 66 9.728 8.655 0.767 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.687 6.449 1.304 1.00 0.00 H new ATOM 0 HB3 LYS A 66 9.387 6.362 1.721 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.100 8.396 3.194 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.388 8.398 2.820 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.182 6.084 3.782 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.890 6.100 4.172 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.527 8.146 5.602 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.813 8.080 5.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.300 7.048 7.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.707 5.887 6.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.367 5.951 6.624 1.00 0.00 H new ATOM 1063 N GLU A 67 8.353 6.852 -1.638 1.00 0.00 N ATOM 1064 CA GLU A 67 8.608 6.273 -2.965 1.00 0.00 C ATOM 1065 C GLU A 67 8.971 7.361 -3.995 1.00 0.00 C ATOM 1066 O GLU A 67 9.930 7.205 -4.753 1.00 0.00 O ATOM 1067 CB GLU A 67 7.373 5.477 -3.422 1.00 0.00 C ATOM 1068 CG GLU A 67 7.649 4.655 -4.689 1.00 0.00 C ATOM 1069 CD GLU A 67 6.394 3.904 -5.152 1.00 0.00 C ATOM 1070 OE1 GLU A 67 6.074 2.837 -4.573 1.00 0.00 O ATOM 1071 OE2 GLU A 67 5.734 4.368 -6.113 1.00 0.00 O ATOM 0 H GLU A 67 7.365 6.864 -1.385 1.00 0.00 H new ATOM 0 HA GLU A 67 9.463 5.601 -2.893 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.056 4.810 -2.620 1.00 0.00 H new ATOM 0 HB3 GLU A 67 6.549 6.165 -3.610 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.995 5.315 -5.485 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.451 3.942 -4.495 1.00 0.00 H new ATOM 1078 N TYR A 68 8.228 8.476 -4.016 1.00 0.00 N ATOM 1079 CA TYR A 68 8.392 9.553 -5.004 1.00 0.00 C ATOM 1080 C TYR A 68 9.748 10.283 -4.897 1.00 0.00 C ATOM 1081 O TYR A 68 10.339 10.654 -5.912 1.00 0.00 O ATOM 1082 CB TYR A 68 7.225 10.541 -4.835 1.00 0.00 C ATOM 1083 CG TYR A 68 7.040 11.514 -5.986 1.00 0.00 C ATOM 1084 CD1 TYR A 68 6.255 11.141 -7.095 1.00 0.00 C ATOM 1085 CD2 TYR A 68 7.615 12.800 -5.936 1.00 0.00 C ATOM 1086 CE1 TYR A 68 6.050 12.044 -8.157 1.00 0.00 C ATOM 1087 CE2 TYR A 68 7.419 13.705 -6.995 1.00 0.00 C ATOM 1088 CZ TYR A 68 6.638 13.330 -8.112 1.00 0.00 C ATOM 1089 OH TYR A 68 6.450 14.207 -9.136 1.00 0.00 O ATOM 0 H TYR A 68 7.487 8.658 -3.339 1.00 0.00 H new ATOM 0 HA TYR A 68 8.382 9.106 -5.998 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.303 9.974 -4.706 1.00 0.00 H new ATOM 0 HB3 TYR A 68 7.380 11.110 -3.918 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.808 10.158 -7.131 1.00 0.00 H new ATOM 0 HD2 TYR A 68 8.208 13.092 -5.082 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.445 11.755 -9.004 1.00 0.00 H new ATOM 0 HE2 TYR A 68 7.866 14.687 -6.955 1.00 0.00 H new ATOM 0 HH TYR A 68 5.579 14.041 -9.553 1.00 0.00 H new ATOM 1099 N SER A 69 10.247 10.491 -3.672 1.00 0.00 N ATOM 1100 CA SER A 69 11.481 11.251 -3.405 1.00 0.00 C ATOM 1101 C SER A 69 12.695 10.406 -2.973 1.00 0.00 C ATOM 1102 O SER A 69 13.819 10.892 -3.074 1.00 0.00 O ATOM 1103 CB SER A 69 11.208 12.317 -2.330 1.00 0.00 C ATOM 1104 OG SER A 69 10.957 11.768 -1.043 1.00 0.00 O ATOM 0 H SER A 69 9.802 10.133 -2.827 1.00 0.00 H new ATOM 0 HA SER A 69 11.753 11.696 -4.362 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.064 12.989 -2.270 1.00 0.00 H new ATOM 0 HB3 SER A 69 10.351 12.918 -2.634 1.00 0.00 H new ATOM 0 HG SER A 69 10.372 10.987 -1.129 1.00 0.00 H new ATOM 1110 N SER A 70 12.490 9.182 -2.465 1.00 0.00 N ATOM 1111 CA SER A 70 13.505 8.242 -1.928 1.00 0.00 C ATOM 1112 C SER A 70 14.153 8.683 -0.595 1.00 0.00 C ATOM 1113 O SER A 70 14.542 7.838 0.217 1.00 0.00 O ATOM 1114 CB SER A 70 14.612 7.923 -2.955 1.00 0.00 C ATOM 1115 OG SER A 70 14.081 7.357 -4.146 1.00 0.00 O ATOM 0 H SER A 70 11.550 8.789 -2.411 1.00 0.00 H new ATOM 0 HA SER A 70 12.931 7.339 -1.718 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.156 8.836 -3.198 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.330 7.232 -2.513 1.00 0.00 H new ATOM 0 HG SER A 70 14.811 7.170 -4.773 1.00 0.00 H new ATOM 1121 N TRP A 71 14.268 9.992 -0.345 1.00 0.00 N ATOM 1122 CA TRP A 71 14.900 10.582 0.839 1.00 0.00 C ATOM 1123 C TRP A 71 14.010 10.467 2.102 1.00 0.00 C ATOM 1124 O TRP A 71 12.840 10.872 2.054 1.00 0.00 O ATOM 1125 CB TRP A 71 15.226 12.043 0.519 1.00 0.00 C ATOM 1126 CG TRP A 71 15.822 12.849 1.635 1.00 0.00 C ATOM 1127 CD1 TRP A 71 15.127 13.645 2.477 1.00 0.00 C ATOM 1128 CD2 TRP A 71 17.218 12.954 2.064 1.00 0.00 C ATOM 1129 NE1 TRP A 71 15.985 14.269 3.360 1.00 0.00 N ATOM 1130 CE2 TRP A 71 17.290 13.881 3.148 1.00 0.00 C ATOM 1131 CE3 TRP A 71 18.430 12.353 1.656 1.00 0.00 C ATOM 1132 CZ2 TRP A 71 18.500 14.220 3.770 1.00 0.00 C ATOM 1133 CZ3 TRP A 71 19.651 12.688 2.274 1.00 0.00 C ATOM 1134 CH2 TRP A 71 19.691 13.621 3.324 1.00 0.00 C ATOM 0 H TRP A 71 13.909 10.697 -0.988 1.00 0.00 H new ATOM 0 HA TRP A 71 15.812 10.032 1.071 1.00 0.00 H new ATOM 0 HB2 TRP A 71 15.916 12.063 -0.324 1.00 0.00 H new ATOM 0 HB3 TRP A 71 14.310 12.535 0.193 1.00 0.00 H new ATOM 0 HD1 TRP A 71 14.055 13.774 2.461 1.00 0.00 H new ATOM 0 HE1 TRP A 71 15.691 14.932 4.077 1.00 0.00 H new ATOM 0 HE3 TRP A 71 18.420 11.625 0.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 18.517 14.932 4.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 20.566 12.223 1.937 1.00 0.00 H new ATOM 0 HH2 TRP A 71 20.633 13.877 3.786 1.00 0.00 H new ATOM 1145 N PRO A 72 14.533 9.946 3.234 1.00 0.00 N ATOM 1146 CA PRO A 72 13.795 9.844 4.492 1.00 0.00 C ATOM 1147 C PRO A 72 13.786 11.183 5.248 1.00 0.00 C ATOM 1148 O PRO A 72 14.741 11.954 5.153 1.00 0.00 O ATOM 1149 CB PRO A 72 14.525 8.760 5.287 1.00 0.00 C ATOM 1150 CG PRO A 72 15.979 8.927 4.847 1.00 0.00 C ATOM 1151 CD PRO A 72 15.856 9.350 3.384 1.00 0.00 C ATOM 0 HA PRO A 72 12.746 9.595 4.330 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.410 8.902 6.362 1.00 0.00 H new ATOM 0 HB3 PRO A 72 14.145 7.765 5.055 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.495 9.680 5.442 1.00 0.00 H new ATOM 0 HG3 PRO A 72 16.540 7.999 4.952 1.00 0.00 H new ATOM 0 HD2 PRO A 72 16.635 10.065 3.120 1.00 0.00 H new ATOM 0 HD3 PRO A 72 15.972 8.492 2.721 1.00 0.00 H new ATOM 1159 N THR A 73 12.714 11.413 6.028 1.00 0.00 N ATOM 1160 CA THR A 73 12.451 12.554 6.941 1.00 0.00 C ATOM 1161 C THR A 73 11.998 13.827 6.212 1.00 0.00 C ATOM 1162 O THR A 73 12.265 14.024 5.024 1.00 0.00 O ATOM 1163 CB THR A 73 13.579 12.861 7.945 1.00 0.00 C ATOM 1164 OG1 THR A 73 14.665 13.466 7.294 1.00 0.00 O ATOM 1165 CG2 THR A 73 14.075 11.614 8.685 1.00 0.00 C ATOM 0 H THR A 73 11.938 10.751 6.041 1.00 0.00 H new ATOM 0 HA THR A 73 11.612 12.199 7.540 1.00 0.00 H new ATOM 0 HB THR A 73 13.152 13.540 8.683 1.00 0.00 H new ATOM 0 HG1 THR A 73 14.607 13.293 6.331 1.00 0.00 H new ATOM 0 HG21 THR A 73 14.869 11.894 9.378 1.00 0.00 H new ATOM 0 HG22 THR A 73 13.250 11.168 9.240 1.00 0.00 H new ATOM 0 HG23 THR A 73 14.460 10.892 7.964 1.00 0.00 H new ATOM 1173 N PHE A 74 11.305 14.694 6.960 1.00 0.00 N ATOM 1174 CA PHE A 74 10.651 15.920 6.484 1.00 0.00 C ATOM 1175 C PHE A 74 10.795 17.073 7.512 1.00 0.00 C ATOM 1176 O PHE A 74 10.998 16.789 8.699 1.00 0.00 O ATOM 1177 CB PHE A 74 9.175 15.590 6.198 1.00 0.00 C ATOM 1178 CG PHE A 74 8.974 14.648 5.022 1.00 0.00 C ATOM 1179 CD1 PHE A 74 9.016 15.147 3.705 1.00 0.00 C ATOM 1180 CD2 PHE A 74 8.765 13.271 5.238 1.00 0.00 C ATOM 1181 CE1 PHE A 74 8.863 14.274 2.612 1.00 0.00 C ATOM 1182 CE2 PHE A 74 8.616 12.398 4.145 1.00 0.00 C ATOM 1183 CZ PHE A 74 8.672 12.898 2.832 1.00 0.00 C ATOM 0 H PHE A 74 11.179 14.553 7.962 1.00 0.00 H new ATOM 0 HA PHE A 74 11.131 16.269 5.570 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.733 15.144 7.089 1.00 0.00 H new ATOM 0 HB3 PHE A 74 8.636 16.517 6.005 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.166 16.203 3.534 1.00 0.00 H new ATOM 0 HD2 PHE A 74 8.719 12.885 6.246 1.00 0.00 H new ATOM 0 HE1 PHE A 74 8.892 14.661 1.604 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.458 11.343 4.314 1.00 0.00 H new ATOM 0 HZ PHE A 74 8.568 12.226 1.993 1.00 0.00 H new ATOM 1193 N PRO A 75 10.677 18.360 7.107 1.00 0.00 N ATOM 1194 CA PRO A 75 10.357 18.855 5.765 1.00 0.00 C ATOM 1195 C PRO A 75 11.488 18.601 4.759 1.00 0.00 C ATOM 1196 O PRO A 75 12.641 18.395 5.136 1.00 0.00 O ATOM 1197 CB PRO A 75 10.064 20.351 5.934 1.00 0.00 C ATOM 1198 CG PRO A 75 10.915 20.741 7.139 1.00 0.00 C ATOM 1199 CD PRO A 75 10.838 19.492 8.015 1.00 0.00 C ATOM 0 HA PRO A 75 9.500 18.325 5.350 1.00 0.00 H new ATOM 0 HB2 PRO A 75 10.341 20.918 5.045 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.005 20.536 6.113 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.941 20.974 6.853 1.00 0.00 H new ATOM 0 HG3 PRO A 75 10.519 21.619 7.649 1.00 0.00 H new ATOM 0 HD2 PRO A 75 11.741 19.383 8.615 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.000 19.555 8.709 1.00 0.00 H new ATOM 1207 N GLN A 76 11.135 18.594 3.472 1.00 0.00 N ATOM 1208 CA GLN A 76 12.028 18.217 2.372 1.00 0.00 C ATOM 1209 C GLN A 76 11.828 19.159 1.174 1.00 0.00 C ATOM 1210 O GLN A 76 10.699 19.542 0.850 1.00 0.00 O ATOM 1211 CB GLN A 76 11.734 16.759 1.975 1.00 0.00 C ATOM 1212 CG GLN A 76 12.737 16.166 0.971 1.00 0.00 C ATOM 1213 CD GLN A 76 12.127 15.015 0.170 1.00 0.00 C ATOM 1214 OE1 GLN A 76 11.884 15.128 -1.023 1.00 0.00 O ATOM 1215 NE2 GLN A 76 11.835 13.882 0.774 1.00 0.00 N ATOM 0 H GLN A 76 10.201 18.856 3.158 1.00 0.00 H new ATOM 0 HA GLN A 76 13.066 18.303 2.692 1.00 0.00 H new ATOM 0 HB2 GLN A 76 11.729 16.143 2.874 1.00 0.00 H new ATOM 0 HB3 GLN A 76 10.733 16.705 1.547 1.00 0.00 H new ATOM 0 HG2 GLN A 76 13.072 16.947 0.288 1.00 0.00 H new ATOM 0 HG3 GLN A 76 13.618 15.810 1.505 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.030 13.769 1.769 1.00 0.00 H new ATOM 0 HE22 GLN A 76 11.413 13.117 0.247 1.00 0.00 H new ATOM 1224 N LEU A 77 12.930 19.502 0.498 1.00 0.00 N ATOM 1225 CA LEU A 77 12.943 20.243 -0.760 1.00 0.00 C ATOM 1226 C LEU A 77 13.013 19.284 -1.963 1.00 0.00 C ATOM 1227 O LEU A 77 13.681 18.254 -1.929 1.00 0.00 O ATOM 1228 CB LEU A 77 14.131 21.224 -0.693 1.00 0.00 C ATOM 1229 CG LEU A 77 14.381 22.063 -1.959 1.00 0.00 C ATOM 1230 CD1 LEU A 77 13.156 22.902 -2.337 1.00 0.00 C ATOM 1231 CD2 LEU A 77 15.613 22.960 -1.757 1.00 0.00 C ATOM 0 H LEU A 77 13.866 19.262 0.825 1.00 0.00 H new ATOM 0 HA LEU A 77 12.021 20.807 -0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 77 13.970 21.903 0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 77 15.035 20.656 -0.473 1.00 0.00 H new ATOM 0 HG LEU A 77 14.569 21.378 -2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 77 13.374 23.479 -3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.308 22.244 -2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.914 23.581 -1.519 1.00 0.00 H new ATOM 0 HD21 LEU A 77 15.784 23.551 -2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 77 15.443 23.627 -0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.487 22.339 -1.559 1.00 0.00 H new ATOM 1243 N TYR A 78 12.350 19.648 -3.058 1.00 0.00 N ATOM 1244 CA TYR A 78 12.333 18.920 -4.328 1.00 0.00 C ATOM 1245 C TYR A 78 12.227 19.916 -5.491 1.00 0.00 C ATOM 1246 O TYR A 78 11.492 20.902 -5.386 1.00 0.00 O ATOM 1247 CB TYR A 78 11.148 17.942 -4.298 1.00 0.00 C ATOM 1248 CG TYR A 78 11.075 16.944 -5.439 1.00 0.00 C ATOM 1249 CD1 TYR A 78 10.518 17.318 -6.681 1.00 0.00 C ATOM 1250 CD2 TYR A 78 11.504 15.618 -5.235 1.00 0.00 C ATOM 1251 CE1 TYR A 78 10.389 16.366 -7.713 1.00 0.00 C ATOM 1252 CE2 TYR A 78 11.372 14.662 -6.261 1.00 0.00 C ATOM 1253 CZ TYR A 78 10.797 15.031 -7.498 1.00 0.00 C ATOM 1254 OH TYR A 78 10.617 14.090 -8.464 1.00 0.00 O ATOM 0 H TYR A 78 11.784 20.496 -3.087 1.00 0.00 H new ATOM 0 HA TYR A 78 13.253 18.354 -4.472 1.00 0.00 H new ATOM 0 HB2 TYR A 78 11.184 17.388 -3.360 1.00 0.00 H new ATOM 0 HB3 TYR A 78 10.225 18.522 -4.290 1.00 0.00 H new ATOM 0 HD1 TYR A 78 10.190 18.335 -6.841 1.00 0.00 H new ATOM 0 HD2 TYR A 78 11.936 15.333 -4.287 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.978 16.658 -8.668 1.00 0.00 H new ATOM 0 HE2 TYR A 78 11.710 13.648 -6.103 1.00 0.00 H new ATOM 0 HH TYR A 78 9.723 13.698 -8.376 1.00 0.00 H new ATOM 1264 N ILE A 79 12.955 19.705 -6.592 1.00 0.00 N ATOM 1265 CA ILE A 79 12.949 20.610 -7.753 1.00 0.00 C ATOM 1266 C ILE A 79 12.916 19.819 -9.071 1.00 0.00 C ATOM 1267 O ILE A 79 13.815 19.018 -9.325 1.00 0.00 O ATOM 1268 CB ILE A 79 14.133 21.622 -7.760 1.00 0.00 C ATOM 1269 CG1 ILE A 79 14.565 22.210 -6.394 1.00 0.00 C ATOM 1270 CG2 ILE A 79 13.726 22.802 -8.665 1.00 0.00 C ATOM 1271 CD1 ILE A 79 15.570 21.335 -5.632 1.00 0.00 C ATOM 0 H ILE A 79 13.569 18.899 -6.707 1.00 0.00 H new ATOM 0 HA ILE A 79 12.036 21.199 -7.663 1.00 0.00 H new ATOM 0 HB ILE A 79 14.994 21.050 -8.106 1.00 0.00 H new ATOM 0 HG12 ILE A 79 15.004 23.195 -6.555 1.00 0.00 H new ATOM 0 HG13 ILE A 79 13.680 22.353 -5.775 1.00 0.00 H new ATOM 0 HG21 ILE A 79 14.534 23.534 -8.694 1.00 0.00 H new ATOM 0 HG22 ILE A 79 13.531 22.437 -9.673 1.00 0.00 H new ATOM 0 HG23 ILE A 79 12.826 23.271 -8.268 1.00 0.00 H new ATOM 0 HD11 ILE A 79 15.824 21.813 -4.686 1.00 0.00 H new ATOM 0 HD12 ILE A 79 15.128 20.358 -5.438 1.00 0.00 H new ATOM 0 HD13 ILE A 79 16.473 21.212 -6.231 1.00 0.00 H new ATOM 1283 N ASP A 80 11.873 20.047 -9.879 1.00 0.00 N ATOM 1284 CA ASP A 80 11.646 19.627 -11.284 1.00 0.00 C ATOM 1285 C ASP A 80 11.588 18.108 -11.573 1.00 0.00 C ATOM 1286 O ASP A 80 10.973 17.682 -12.553 1.00 0.00 O ATOM 1287 CB ASP A 80 12.692 20.299 -12.182 1.00 0.00 C ATOM 1288 CG ASP A 80 12.335 20.189 -13.673 1.00 0.00 C ATOM 1289 OD1 ASP A 80 11.275 20.720 -14.079 1.00 0.00 O ATOM 1290 OD2 ASP A 80 13.130 19.603 -14.447 1.00 0.00 O ATOM 0 H ASP A 80 11.078 20.587 -9.536 1.00 0.00 H new ATOM 0 HA ASP A 80 10.632 19.958 -11.506 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.782 21.350 -11.908 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.666 19.840 -12.009 1.00 0.00 H new ATOM 1295 N GLY A 81 12.220 17.293 -10.728 1.00 0.00 N ATOM 1296 CA GLY A 81 12.418 15.855 -10.904 1.00 0.00 C ATOM 1297 C GLY A 81 13.411 15.206 -9.934 1.00 0.00 C ATOM 1298 O GLY A 81 13.600 13.992 -10.008 1.00 0.00 O ATOM 0 H GLY A 81 12.628 17.636 -9.858 1.00 0.00 H new ATOM 0 HA2 GLY A 81 11.454 15.357 -10.798 1.00 0.00 H new ATOM 0 HA3 GLY A 81 12.760 15.674 -11.923 1.00 0.00 H new ATOM 1302 N GLU A 82 14.047 15.973 -9.039 1.00 0.00 N ATOM 1303 CA GLU A 82 14.999 15.469 -8.040 1.00 0.00 C ATOM 1304 C GLU A 82 14.741 16.076 -6.652 1.00 0.00 C ATOM 1305 O GLU A 82 14.347 17.239 -6.528 1.00 0.00 O ATOM 1306 CB GLU A 82 16.449 15.780 -8.456 1.00 0.00 C ATOM 1307 CG GLU A 82 16.879 15.064 -9.742 1.00 0.00 C ATOM 1308 CD GLU A 82 18.385 15.239 -9.986 1.00 0.00 C ATOM 1309 OE1 GLU A 82 18.811 16.338 -10.415 1.00 0.00 O ATOM 1310 OE2 GLU A 82 19.156 14.278 -9.755 1.00 0.00 O ATOM 0 H GLU A 82 13.911 16.983 -8.988 1.00 0.00 H new ATOM 0 HA GLU A 82 14.855 14.390 -7.986 1.00 0.00 H new ATOM 0 HB2 GLU A 82 16.557 16.856 -8.594 1.00 0.00 H new ATOM 0 HB3 GLU A 82 17.121 15.493 -7.647 1.00 0.00 H new ATOM 0 HG2 GLU A 82 16.638 14.003 -9.671 1.00 0.00 H new ATOM 0 HG3 GLU A 82 16.320 15.462 -10.589 1.00 0.00 H new ATOM 1317 N PHE A 83 15.016 15.294 -5.602 1.00 0.00 N ATOM 1318 CA PHE A 83 15.034 15.771 -4.218 1.00 0.00 C ATOM 1319 C PHE A 83 16.313 16.551 -3.902 1.00 0.00 C ATOM 1320 O PHE A 83 17.356 16.403 -4.548 1.00 0.00 O ATOM 1321 CB PHE A 83 14.805 14.603 -3.241 1.00 0.00 C ATOM 1322 CG PHE A 83 16.067 13.850 -2.861 1.00 0.00 C ATOM 1323 CD1 PHE A 83 16.531 12.781 -3.650 1.00 0.00 C ATOM 1324 CD2 PHE A 83 16.810 14.265 -1.739 1.00 0.00 C ATOM 1325 CE1 PHE A 83 17.740 12.139 -3.322 1.00 0.00 C ATOM 1326 CE2 PHE A 83 18.026 13.640 -1.427 1.00 0.00 C ATOM 1327 CZ PHE A 83 18.492 12.574 -2.216 1.00 0.00 C ATOM 0 H PHE A 83 15.234 14.302 -5.692 1.00 0.00 H new ATOM 0 HA PHE A 83 14.210 16.473 -4.090 1.00 0.00 H new ATOM 0 HB2 PHE A 83 14.339 14.989 -2.334 1.00 0.00 H new ATOM 0 HB3 PHE A 83 14.099 13.903 -3.689 1.00 0.00 H new ATOM 0 HD1 PHE A 83 15.960 12.454 -4.506 1.00 0.00 H new ATOM 0 HD2 PHE A 83 16.442 15.067 -1.117 1.00 0.00 H new ATOM 0 HE1 PHE A 83 18.091 11.311 -3.921 1.00 0.00 H new ATOM 0 HE2 PHE A 83 18.605 13.978 -0.580 1.00 0.00 H new ATOM 0 HZ PHE A 83 19.426 12.090 -1.973 1.00 0.00 H new ATOM 1337 N PHE A 84 16.209 17.368 -2.857 1.00 0.00 N ATOM 1338 CA PHE A 84 17.304 18.057 -2.208 1.00 0.00 C ATOM 1339 C PHE A 84 17.173 17.881 -0.684 1.00 0.00 C ATOM 1340 O PHE A 84 16.091 17.636 -0.138 1.00 0.00 O ATOM 1341 CB PHE A 84 17.310 19.530 -2.645 1.00 0.00 C ATOM 1342 CG PHE A 84 18.680 20.177 -2.638 1.00 0.00 C ATOM 1343 CD1 PHE A 84 19.173 20.814 -1.482 1.00 0.00 C ATOM 1344 CD2 PHE A 84 19.480 20.120 -3.796 1.00 0.00 C ATOM 1345 CE1 PHE A 84 20.465 21.370 -1.483 1.00 0.00 C ATOM 1346 CE2 PHE A 84 20.767 20.689 -3.800 1.00 0.00 C ATOM 1347 CZ PHE A 84 21.261 21.310 -2.642 1.00 0.00 C ATOM 0 H PHE A 84 15.309 17.573 -2.423 1.00 0.00 H new ATOM 0 HA PHE A 84 18.265 17.635 -2.503 1.00 0.00 H new ATOM 0 HB2 PHE A 84 16.893 19.600 -3.650 1.00 0.00 H new ATOM 0 HB3 PHE A 84 16.651 20.095 -1.986 1.00 0.00 H new ATOM 0 HD1 PHE A 84 18.559 20.875 -0.596 1.00 0.00 H new ATOM 0 HD2 PHE A 84 19.104 19.637 -4.686 1.00 0.00 H new ATOM 0 HE1 PHE A 84 20.847 21.845 -0.591 1.00 0.00 H new ATOM 0 HE2 PHE A 84 21.374 20.648 -4.693 1.00 0.00 H new ATOM 0 HZ PHE A 84 22.251 21.741 -2.641 1.00 0.00 H new ATOM 1357 N GLY A 85 18.312 17.989 -0.007 1.00 0.00 N ATOM 1358 CA GLY A 85 18.441 17.835 1.448 1.00 0.00 C ATOM 1359 C GLY A 85 17.726 18.918 2.271 1.00 0.00 C ATOM 1360 O GLY A 85 17.099 19.835 1.735 1.00 0.00 O ATOM 0 H GLY A 85 19.201 18.192 -0.465 1.00 0.00 H new ATOM 0 HA2 GLY A 85 18.046 16.860 1.734 1.00 0.00 H new ATOM 0 HA3 GLY A 85 19.499 17.839 1.708 1.00 0.00 H new ATOM 1364 N GLY A 86 17.828 18.801 3.602 1.00 0.00 N ATOM 1365 CA GLY A 86 17.174 19.695 4.575 1.00 0.00 C ATOM 1366 C GLY A 86 17.733 21.122 4.584 1.00 0.00 C ATOM 1367 O GLY A 86 18.608 21.468 3.790 1.00 0.00 O ATOM 0 H GLY A 86 18.380 18.066 4.045 1.00 0.00 H new ATOM 0 HA2 GLY A 86 16.107 19.735 4.356 1.00 0.00 H new ATOM 0 HA3 GLY A 86 17.279 19.268 5.573 1.00 0.00 H new ATOM 1371 N CYS A 87 17.232 21.972 5.487 1.00 0.00 N ATOM 1372 CA CYS A 87 17.582 23.401 5.520 1.00 0.00 C ATOM 1373 C CYS A 87 19.082 23.641 5.732 1.00 0.00 C ATOM 1374 O CYS A 87 19.669 24.461 5.032 1.00 0.00 O ATOM 1375 CB CYS A 87 16.730 24.092 6.594 1.00 0.00 C ATOM 1376 SG CYS A 87 17.012 25.889 6.530 1.00 0.00 S ATOM 0 H CYS A 87 16.574 21.692 6.215 1.00 0.00 H new ATOM 0 HA CYS A 87 17.361 23.837 4.546 1.00 0.00 H new ATOM 0 HB2 CYS A 87 15.675 23.873 6.433 1.00 0.00 H new ATOM 0 HB3 CYS A 87 16.988 23.708 7.581 1.00 0.00 H new ATOM 0 HG CYS A 87 16.460 26.452 7.564 1.00 0.00 H new ATOM 1382 N ASP A 88 19.722 22.899 6.636 1.00 0.00 N ATOM 1383 CA ASP A 88 21.165 23.025 6.895 1.00 0.00 C ATOM 1384 C ASP A 88 21.984 22.732 5.629 1.00 0.00 C ATOM 1385 O ASP A 88 22.822 23.537 5.230 1.00 0.00 O ATOM 1386 CB ASP A 88 21.556 22.087 8.042 1.00 0.00 C ATOM 1387 CG ASP A 88 23.045 22.211 8.398 1.00 0.00 C ATOM 1388 OD1 ASP A 88 23.424 23.223 9.033 1.00 0.00 O ATOM 1389 OD2 ASP A 88 23.826 21.288 8.058 1.00 0.00 O ATOM 0 H ASP A 88 19.260 22.194 7.211 1.00 0.00 H new ATOM 0 HA ASP A 88 21.387 24.052 7.186 1.00 0.00 H new ATOM 0 HB2 ASP A 88 20.952 22.315 8.920 1.00 0.00 H new ATOM 0 HB3 ASP A 88 21.334 21.057 7.761 1.00 0.00 H new ATOM 1394 N ILE A 89 21.659 21.635 4.932 1.00 0.00 N ATOM 1395 CA ILE A 89 22.266 21.273 3.635 1.00 0.00 C ATOM 1396 C ILE A 89 21.991 22.369 2.593 1.00 0.00 C ATOM 1397 O ILE A 89 22.911 22.773 1.883 1.00 0.00 O ATOM 1398 CB ILE A 89 21.768 19.875 3.177 1.00 0.00 C ATOM 1399 CG1 ILE A 89 22.237 18.785 4.176 1.00 0.00 C ATOM 1400 CG2 ILE A 89 22.265 19.547 1.754 1.00 0.00 C ATOM 1401 CD1 ILE A 89 21.648 17.390 3.924 1.00 0.00 C ATOM 0 H ILE A 89 20.961 20.964 5.252 1.00 0.00 H new ATOM 0 HA ILE A 89 23.348 21.204 3.748 1.00 0.00 H new ATOM 0 HB ILE A 89 20.678 19.893 3.158 1.00 0.00 H new ATOM 0 HG12 ILE A 89 23.324 18.718 4.136 1.00 0.00 H new ATOM 0 HG13 ILE A 89 21.973 19.099 5.186 1.00 0.00 H new ATOM 0 HG21 ILE A 89 21.901 18.563 1.459 1.00 0.00 H new ATOM 0 HG22 ILE A 89 21.891 20.296 1.056 1.00 0.00 H new ATOM 0 HG23 ILE A 89 23.355 19.550 1.739 1.00 0.00 H new ATOM 0 HD11 ILE A 89 22.031 16.693 4.670 1.00 0.00 H new ATOM 0 HD12 ILE A 89 20.561 17.436 3.994 1.00 0.00 H new ATOM 0 HD13 ILE A 89 21.933 17.049 2.929 1.00 0.00 H new ATOM 1413 N THR A 90 20.760 22.896 2.547 1.00 0.00 N ATOM 1414 CA THR A 90 20.329 23.964 1.626 1.00 0.00 C ATOM 1415 C THR A 90 21.103 25.254 1.872 1.00 0.00 C ATOM 1416 O THR A 90 21.601 25.840 0.921 1.00 0.00 O ATOM 1417 CB THR A 90 18.812 24.188 1.721 1.00 0.00 C ATOM 1418 OG1 THR A 90 18.143 22.980 1.446 1.00 0.00 O ATOM 1419 CG2 THR A 90 18.311 25.201 0.692 1.00 0.00 C ATOM 0 H THR A 90 20.012 22.584 3.167 1.00 0.00 H new ATOM 0 HA THR A 90 20.554 23.643 0.609 1.00 0.00 H new ATOM 0 HB THR A 90 18.613 24.557 2.727 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.243 22.370 2.207 1.00 0.00 H new ATOM 0 HG21 THR A 90 17.233 25.325 0.799 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.805 26.159 0.854 1.00 0.00 H new ATOM 0 HG23 THR A 90 18.537 24.842 -0.312 1.00 0.00 H new ATOM 1427 N VAL A 91 21.244 25.681 3.128 1.00 0.00 N ATOM 1428 CA VAL A 91 22.009 26.875 3.525 1.00 0.00 C ATOM 1429 C VAL A 91 23.508 26.718 3.215 1.00 0.00 C ATOM 1430 O VAL A 91 24.113 27.651 2.694 1.00 0.00 O ATOM 1431 CB VAL A 91 21.768 27.204 5.018 1.00 0.00 C ATOM 1432 CG1 VAL A 91 22.737 28.263 5.578 1.00 0.00 C ATOM 1433 CG2 VAL A 91 20.334 27.727 5.220 1.00 0.00 C ATOM 0 H VAL A 91 20.821 25.198 3.920 1.00 0.00 H new ATOM 0 HA VAL A 91 21.650 27.716 2.932 1.00 0.00 H new ATOM 0 HB VAL A 91 21.936 26.271 5.556 1.00 0.00 H new ATOM 0 HG11 VAL A 91 22.510 28.444 6.629 1.00 0.00 H new ATOM 0 HG12 VAL A 91 23.762 27.904 5.485 1.00 0.00 H new ATOM 0 HG13 VAL A 91 22.625 29.191 5.017 1.00 0.00 H new ATOM 0 HG21 VAL A 91 20.175 27.955 6.274 1.00 0.00 H new ATOM 0 HG22 VAL A 91 20.189 28.630 4.627 1.00 0.00 H new ATOM 0 HG23 VAL A 91 19.621 26.966 4.902 1.00 0.00 H new ATOM 1443 N GLU A 92 24.103 25.550 3.490 1.00 0.00 N ATOM 1444 CA GLU A 92 25.501 25.257 3.140 1.00 0.00 C ATOM 1445 C GLU A 92 25.714 25.255 1.616 1.00 0.00 C ATOM 1446 O GLU A 92 26.679 25.848 1.125 1.00 0.00 O ATOM 1447 CB GLU A 92 25.926 23.902 3.730 1.00 0.00 C ATOM 1448 CG GLU A 92 26.134 23.925 5.253 1.00 0.00 C ATOM 1449 CD GLU A 92 27.386 24.712 5.667 1.00 0.00 C ATOM 1450 OE1 GLU A 92 28.515 24.281 5.333 1.00 0.00 O ATOM 1451 OE2 GLU A 92 27.255 25.759 6.344 1.00 0.00 O ATOM 0 H GLU A 92 23.629 24.780 3.962 1.00 0.00 H new ATOM 0 HA GLU A 92 26.120 26.046 3.566 1.00 0.00 H new ATOM 0 HB2 GLU A 92 25.168 23.157 3.488 1.00 0.00 H new ATOM 0 HB3 GLU A 92 26.852 23.582 3.251 1.00 0.00 H new ATOM 0 HG2 GLU A 92 25.258 24.366 5.729 1.00 0.00 H new ATOM 0 HG3 GLU A 92 26.215 22.902 5.620 1.00 0.00 H new ATOM 1458 N ALA A 93 24.799 24.647 0.853 1.00 0.00 N ATOM 1459 CA ALA A 93 24.842 24.621 -0.606 1.00 0.00 C ATOM 1460 C ALA A 93 24.685 26.023 -1.211 1.00 0.00 C ATOM 1461 O ALA A 93 25.428 26.375 -2.124 1.00 0.00 O ATOM 1462 CB ALA A 93 23.748 23.661 -1.094 1.00 0.00 C ATOM 0 H ALA A 93 23.996 24.152 1.242 1.00 0.00 H new ATOM 0 HA ALA A 93 25.818 24.268 -0.938 1.00 0.00 H new ATOM 0 HB1 ALA A 93 23.757 23.622 -2.183 1.00 0.00 H new ATOM 0 HB2 ALA A 93 23.934 22.664 -0.694 1.00 0.00 H new ATOM 0 HB3 ALA A 93 22.775 24.014 -0.752 1.00 0.00 H new ATOM 1468 N TYR A 94 23.768 26.845 -0.695 1.00 0.00 N ATOM 1469 CA TYR A 94 23.553 28.232 -1.130 1.00 0.00 C ATOM 1470 C TYR A 94 24.762 29.140 -0.845 1.00 0.00 C ATOM 1471 O TYR A 94 25.134 29.973 -1.673 1.00 0.00 O ATOM 1472 CB TYR A 94 22.284 28.754 -0.438 1.00 0.00 C ATOM 1473 CG TYR A 94 21.815 30.120 -0.898 1.00 0.00 C ATOM 1474 CD1 TYR A 94 21.401 30.315 -2.232 1.00 0.00 C ATOM 1475 CD2 TYR A 94 21.753 31.191 0.016 1.00 0.00 C ATOM 1476 CE1 TYR A 94 20.927 31.573 -2.654 1.00 0.00 C ATOM 1477 CE2 TYR A 94 21.281 32.451 -0.399 1.00 0.00 C ATOM 1478 CZ TYR A 94 20.865 32.644 -1.734 1.00 0.00 C ATOM 1479 OH TYR A 94 20.401 33.863 -2.129 1.00 0.00 O ATOM 0 H TYR A 94 23.138 26.560 0.055 1.00 0.00 H new ATOM 0 HA TYR A 94 23.429 28.248 -2.213 1.00 0.00 H new ATOM 0 HB2 TYR A 94 21.479 28.037 -0.601 1.00 0.00 H new ATOM 0 HB3 TYR A 94 22.464 28.792 0.636 1.00 0.00 H new ATOM 0 HD1 TYR A 94 21.448 29.496 -2.934 1.00 0.00 H new ATOM 0 HD2 TYR A 94 22.069 31.045 1.038 1.00 0.00 H new ATOM 0 HE1 TYR A 94 20.612 31.718 -3.677 1.00 0.00 H new ATOM 0 HE2 TYR A 94 21.237 33.270 0.304 1.00 0.00 H new ATOM 0 HH TYR A 94 20.425 34.484 -1.371 1.00 0.00 H new ATOM 1489 N LYS A 95 25.428 28.937 0.296 1.00 0.00 N ATOM 1490 CA LYS A 95 26.690 29.602 0.650 1.00 0.00 C ATOM 1491 C LYS A 95 27.871 29.121 -0.225 1.00 0.00 C ATOM 1492 O LYS A 95 28.784 29.890 -0.524 1.00 0.00 O ATOM 1493 CB LYS A 95 26.915 29.345 2.150 1.00 0.00 C ATOM 1494 CG LYS A 95 28.170 30.029 2.722 1.00 0.00 C ATOM 1495 CD LYS A 95 28.234 29.936 4.255 1.00 0.00 C ATOM 1496 CE LYS A 95 28.188 28.479 4.741 1.00 0.00 C ATOM 1497 NZ LYS A 95 28.271 28.369 6.220 1.00 0.00 N ATOM 0 H LYS A 95 25.100 28.293 1.015 1.00 0.00 H new ATOM 0 HA LYS A 95 26.631 30.673 0.456 1.00 0.00 H new ATOM 0 HB2 LYS A 95 26.042 29.691 2.702 1.00 0.00 H new ATOM 0 HB3 LYS A 95 26.992 28.271 2.316 1.00 0.00 H new ATOM 0 HG2 LYS A 95 29.060 29.568 2.294 1.00 0.00 H new ATOM 0 HG3 LYS A 95 28.179 31.077 2.423 1.00 0.00 H new ATOM 0 HD2 LYS A 95 29.150 30.409 4.610 1.00 0.00 H new ATOM 0 HD3 LYS A 95 27.401 30.490 4.688 1.00 0.00 H new ATOM 0 HE2 LYS A 95 27.264 28.014 4.397 1.00 0.00 H new ATOM 0 HE3 LYS A 95 29.011 27.924 4.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 27.937 27.430 6.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 29.258 28.497 6.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 27.677 29.103 6.657 1.00 0.00 H new ATOM 1511 N SER A 96 27.838 27.862 -0.674 1.00 0.00 N ATOM 1512 CA SER A 96 28.881 27.247 -1.513 1.00 0.00 C ATOM 1513 C SER A 96 28.672 27.459 -3.030 1.00 0.00 C ATOM 1514 O SER A 96 29.568 27.154 -3.820 1.00 0.00 O ATOM 1515 CB SER A 96 28.954 25.739 -1.207 1.00 0.00 C ATOM 1516 OG SER A 96 29.146 25.487 0.179 1.00 0.00 O ATOM 0 H SER A 96 27.070 27.225 -0.462 1.00 0.00 H new ATOM 0 HA SER A 96 29.817 27.746 -1.262 1.00 0.00 H new ATOM 0 HB2 SER A 96 28.035 25.256 -1.540 1.00 0.00 H new ATOM 0 HB3 SER A 96 29.771 25.293 -1.774 1.00 0.00 H new ATOM 0 HG SER A 96 28.340 25.744 0.673 1.00 0.00 H new ATOM 1522 N GLY A 97 27.497 27.954 -3.454 1.00 0.00 N ATOM 1523 CA GLY A 97 27.116 28.147 -4.866 1.00 0.00 C ATOM 1524 C GLY A 97 26.443 26.924 -5.508 1.00 0.00 C ATOM 1525 O GLY A 97 26.042 26.970 -6.671 1.00 0.00 O ATOM 0 H GLY A 97 26.763 28.240 -2.806 1.00 0.00 H new ATOM 0 HA2 GLY A 97 26.439 28.999 -4.935 1.00 0.00 H new ATOM 0 HA3 GLY A 97 28.007 28.401 -5.440 1.00 0.00 H new ATOM 1529 N GLU A 98 26.320 25.827 -4.760 1.00 0.00 N ATOM 1530 CA GLU A 98 25.848 24.526 -5.245 1.00 0.00 C ATOM 1531 C GLU A 98 24.323 24.485 -5.395 1.00 0.00 C ATOM 1532 O GLU A 98 23.817 23.876 -6.339 1.00 0.00 O ATOM 1533 CB GLU A 98 26.314 23.407 -4.298 1.00 0.00 C ATOM 1534 CG GLU A 98 27.838 23.336 -4.171 1.00 0.00 C ATOM 1535 CD GLU A 98 28.265 22.103 -3.363 1.00 0.00 C ATOM 1536 OE1 GLU A 98 28.251 22.161 -2.112 1.00 0.00 O ATOM 1537 OE2 GLU A 98 28.623 21.067 -3.973 1.00 0.00 O ATOM 0 H GLU A 98 26.553 25.817 -3.767 1.00 0.00 H new ATOM 0 HA GLU A 98 26.279 24.371 -6.234 1.00 0.00 H new ATOM 0 HB2 GLU A 98 25.879 23.567 -3.312 1.00 0.00 H new ATOM 0 HB3 GLU A 98 25.939 22.450 -4.661 1.00 0.00 H new ATOM 0 HG2 GLU A 98 28.288 23.299 -5.163 1.00 0.00 H new ATOM 0 HG3 GLU A 98 28.209 24.239 -3.686 1.00 0.00 H new ATOM 1544 N LEU A 99 23.577 25.176 -4.518 1.00 0.00 N ATOM 1545 CA LEU A 99 22.119 25.278 -4.654 1.00 0.00 C ATOM 1546 C LEU A 99 21.772 26.035 -5.937 1.00 0.00 C ATOM 1547 O LEU A 99 20.946 25.569 -6.713 1.00 0.00 O ATOM 1548 CB LEU A 99 21.505 25.950 -3.408 1.00 0.00 C ATOM 1549 CG LEU A 99 19.960 25.957 -3.407 1.00 0.00 C ATOM 1550 CD1 LEU A 99 19.376 24.543 -3.249 1.00 0.00 C ATOM 1551 CD2 LEU A 99 19.446 26.859 -2.279 1.00 0.00 C ATOM 0 H LEU A 99 23.959 25.670 -3.711 1.00 0.00 H new ATOM 0 HA LEU A 99 21.691 24.278 -4.725 1.00 0.00 H new ATOM 0 HB2 LEU A 99 21.858 25.433 -2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 99 21.865 26.977 -3.345 1.00 0.00 H new ATOM 0 HG LEU A 99 19.632 26.343 -4.372 1.00 0.00 H new ATOM 0 HD11 LEU A 99 18.287 24.596 -3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 99 19.712 23.916 -4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 99 19.714 24.113 -2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 99 18.356 26.861 -2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 99 19.805 26.484 -1.321 1.00 0.00 H new ATOM 0 HD23 LEU A 99 19.811 27.875 -2.431 1.00 0.00 H new ATOM 1563 N GLN A 100 22.440 27.163 -6.189 1.00 0.00 N ATOM 1564 CA GLN A 100 22.271 27.976 -7.394 1.00 0.00 C ATOM 1565 C GLN A 100 22.545 27.134 -8.645 1.00 0.00 C ATOM 1566 O GLN A 100 21.707 27.108 -9.542 1.00 0.00 O ATOM 1567 CB GLN A 100 23.190 29.215 -7.359 1.00 0.00 C ATOM 1568 CG GLN A 100 22.919 30.199 -6.204 1.00 0.00 C ATOM 1569 CD GLN A 100 23.713 29.915 -4.925 1.00 0.00 C ATOM 1570 OE1 GLN A 100 23.916 28.777 -4.528 1.00 0.00 O ATOM 1571 NE2 GLN A 100 24.189 30.916 -4.224 1.00 0.00 N ATOM 0 H GLN A 100 23.131 27.545 -5.544 1.00 0.00 H new ATOM 0 HA GLN A 100 21.239 28.326 -7.429 1.00 0.00 H new ATOM 0 HB2 GLN A 100 24.225 28.879 -7.294 1.00 0.00 H new ATOM 0 HB3 GLN A 100 23.088 29.750 -8.303 1.00 0.00 H new ATOM 0 HG2 GLN A 100 23.150 31.209 -6.543 1.00 0.00 H new ATOM 0 HG3 GLN A 100 21.855 30.178 -5.968 1.00 0.00 H new ATOM 0 HE21 GLN A 100 24.033 31.875 -4.534 1.00 0.00 H new ATOM 0 HE22 GLN A 100 24.715 30.735 -3.369 1.00 0.00 H new ATOM 1580 N GLU A 101 23.660 26.390 -8.675 1.00 0.00 N ATOM 1581 CA GLU A 101 24.005 25.479 -9.772 1.00 0.00 C ATOM 1582 C GLU A 101 22.896 24.440 -10.022 1.00 0.00 C ATOM 1583 O GLU A 101 22.430 24.294 -11.153 1.00 0.00 O ATOM 1584 CB GLU A 101 25.337 24.786 -9.433 1.00 0.00 C ATOM 1585 CG GLU A 101 25.837 23.831 -10.523 1.00 0.00 C ATOM 1586 CD GLU A 101 26.964 22.948 -9.982 1.00 0.00 C ATOM 1587 OE1 GLU A 101 26.654 21.928 -9.318 1.00 0.00 O ATOM 1588 OE2 GLU A 101 28.154 23.263 -10.219 1.00 0.00 O ATOM 0 H GLU A 101 24.355 26.405 -7.928 1.00 0.00 H new ATOM 0 HA GLU A 101 24.108 26.054 -10.692 1.00 0.00 H new ATOM 0 HB2 GLU A 101 26.096 25.548 -9.255 1.00 0.00 H new ATOM 0 HB3 GLU A 101 25.219 24.230 -8.503 1.00 0.00 H new ATOM 0 HG2 GLU A 101 25.015 23.208 -10.875 1.00 0.00 H new ATOM 0 HG3 GLU A 101 26.193 24.402 -11.380 1.00 0.00 H new ATOM 1595 N GLN A 102 22.463 23.710 -8.985 1.00 0.00 N ATOM 1596 CA GLN A 102 21.488 22.630 -9.144 1.00 0.00 C ATOM 1597 C GLN A 102 20.060 23.145 -9.383 1.00 0.00 C ATOM 1598 O GLN A 102 19.321 22.532 -10.150 1.00 0.00 O ATOM 1599 CB GLN A 102 21.566 21.657 -7.960 1.00 0.00 C ATOM 1600 CG GLN A 102 22.922 20.925 -7.863 1.00 0.00 C ATOM 1601 CD GLN A 102 23.255 20.077 -9.097 1.00 0.00 C ATOM 1602 OE1 GLN A 102 22.452 19.286 -9.580 1.00 0.00 O ATOM 1603 NE2 GLN A 102 24.422 20.214 -9.690 1.00 0.00 N ATOM 0 H GLN A 102 22.776 23.851 -8.025 1.00 0.00 H new ATOM 0 HA GLN A 102 21.753 22.082 -10.048 1.00 0.00 H new ATOM 0 HB2 GLN A 102 21.390 22.206 -7.035 1.00 0.00 H new ATOM 0 HB3 GLN A 102 20.768 20.920 -8.051 1.00 0.00 H new ATOM 0 HG2 GLN A 102 23.712 21.661 -7.715 1.00 0.00 H new ATOM 0 HG3 GLN A 102 22.916 20.282 -6.983 1.00 0.00 H new ATOM 0 HE21 GLN A 102 25.112 20.864 -9.313 1.00 0.00 H new ATOM 0 HE22 GLN A 102 24.636 19.670 -10.526 1.00 0.00 H new ATOM 1612 N VAL A 103 19.671 24.284 -8.794 1.00 0.00 N ATOM 1613 CA VAL A 103 18.385 24.943 -9.084 1.00 0.00 C ATOM 1614 C VAL A 103 18.365 25.462 -10.526 1.00 0.00 C ATOM 1615 O VAL A 103 17.383 25.218 -11.216 1.00 0.00 O ATOM 1616 CB VAL A 103 18.051 26.067 -8.074 1.00 0.00 C ATOM 1617 CG1 VAL A 103 16.829 26.907 -8.501 1.00 0.00 C ATOM 1618 CG2 VAL A 103 17.734 25.471 -6.689 1.00 0.00 C ATOM 0 H VAL A 103 20.237 24.776 -8.103 1.00 0.00 H new ATOM 0 HA VAL A 103 17.603 24.192 -8.973 1.00 0.00 H new ATOM 0 HB VAL A 103 18.932 26.708 -8.040 1.00 0.00 H new ATOM 0 HG11 VAL A 103 16.641 27.680 -7.756 1.00 0.00 H new ATOM 0 HG12 VAL A 103 17.027 27.374 -9.466 1.00 0.00 H new ATOM 0 HG13 VAL A 103 15.955 26.262 -8.583 1.00 0.00 H new ATOM 0 HG21 VAL A 103 17.501 26.275 -5.991 1.00 0.00 H new ATOM 0 HG22 VAL A 103 16.878 24.801 -6.769 1.00 0.00 H new ATOM 0 HG23 VAL A 103 18.598 24.914 -6.326 1.00 0.00 H new ATOM 1628 N GLU A 104 19.428 26.106 -11.025 1.00 0.00 N ATOM 1629 CA GLU A 104 19.506 26.524 -12.433 1.00 0.00 C ATOM 1630 C GLU A 104 19.400 25.319 -13.382 1.00 0.00 C ATOM 1631 O GLU A 104 18.622 25.355 -14.339 1.00 0.00 O ATOM 1632 CB GLU A 104 20.813 27.285 -12.702 1.00 0.00 C ATOM 1633 CG GLU A 104 20.780 28.743 -12.217 1.00 0.00 C ATOM 1634 CD GLU A 104 19.874 29.617 -13.098 1.00 0.00 C ATOM 1635 OE1 GLU A 104 20.311 30.031 -14.198 1.00 0.00 O ATOM 1636 OE2 GLU A 104 18.726 29.916 -12.689 1.00 0.00 O ATOM 0 H GLU A 104 20.250 26.350 -10.473 1.00 0.00 H new ATOM 0 HA GLU A 104 18.662 27.187 -12.624 1.00 0.00 H new ATOM 0 HB2 GLU A 104 21.635 26.765 -12.211 1.00 0.00 H new ATOM 0 HB3 GLU A 104 21.020 27.270 -13.772 1.00 0.00 H new ATOM 0 HG2 GLU A 104 20.426 28.775 -11.187 1.00 0.00 H new ATOM 0 HG3 GLU A 104 21.791 29.150 -12.219 1.00 0.00 H new ATOM 1643 N LYS A 105 20.089 24.211 -13.077 1.00 0.00 N ATOM 1644 CA LYS A 105 19.971 22.956 -13.826 1.00 0.00 C ATOM 1645 C LYS A 105 18.515 22.449 -13.841 1.00 0.00 C ATOM 1646 O LYS A 105 17.984 22.136 -14.907 1.00 0.00 O ATOM 1647 CB LYS A 105 20.922 21.916 -13.201 1.00 0.00 C ATOM 1648 CG LYS A 105 21.050 20.636 -14.046 1.00 0.00 C ATOM 1649 CD LYS A 105 21.584 19.453 -13.222 1.00 0.00 C ATOM 1650 CE LYS A 105 20.469 18.854 -12.345 1.00 0.00 C ATOM 1651 NZ LYS A 105 20.972 17.766 -11.471 1.00 0.00 N ATOM 0 H LYS A 105 20.747 24.162 -12.299 1.00 0.00 H new ATOM 0 HA LYS A 105 20.254 23.125 -14.865 1.00 0.00 H new ATOM 0 HB2 LYS A 105 21.908 22.362 -13.076 1.00 0.00 H new ATOM 0 HB3 LYS A 105 20.562 21.654 -12.206 1.00 0.00 H new ATOM 0 HG2 LYS A 105 20.076 20.378 -14.462 1.00 0.00 H new ATOM 0 HG3 LYS A 105 21.717 20.822 -14.887 1.00 0.00 H new ATOM 0 HD2 LYS A 105 21.979 18.687 -13.890 1.00 0.00 H new ATOM 0 HD3 LYS A 105 22.410 19.785 -12.593 1.00 0.00 H new ATOM 0 HE2 LYS A 105 20.031 19.640 -11.730 1.00 0.00 H new ATOM 0 HE3 LYS A 105 19.674 18.468 -12.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 20.168 17.279 -11.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 21.516 17.087 -12.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 21.585 18.168 -10.734 1.00 0.00 H new ATOM 1665 N ALA A 106 17.845 22.415 -12.685 1.00 0.00 N ATOM 1666 CA ALA A 106 16.447 21.995 -12.557 1.00 0.00 C ATOM 1667 C ALA A 106 15.455 22.955 -13.252 1.00 0.00 C ATOM 1668 O ALA A 106 14.435 22.506 -13.771 1.00 0.00 O ATOM 1669 CB ALA A 106 16.140 21.842 -11.064 1.00 0.00 C ATOM 0 H ALA A 106 18.267 22.684 -11.796 1.00 0.00 H new ATOM 0 HA ALA A 106 16.315 21.044 -13.072 1.00 0.00 H new ATOM 0 HB1 ALA A 106 15.104 21.529 -10.936 1.00 0.00 H new ATOM 0 HB2 ALA A 106 16.802 21.091 -10.632 1.00 0.00 H new ATOM 0 HB3 ALA A 106 16.296 22.796 -10.561 1.00 0.00 H new ATOM 1675 N MET A 107 15.753 24.258 -13.318 1.00 0.00 N ATOM 1676 CA MET A 107 14.944 25.240 -14.055 1.00 0.00 C ATOM 1677 C MET A 107 15.094 25.079 -15.576 1.00 0.00 C ATOM 1678 O MET A 107 14.099 25.207 -16.292 1.00 0.00 O ATOM 1679 CB MET A 107 15.293 26.672 -13.614 1.00 0.00 C ATOM 1680 CG MET A 107 14.836 26.958 -12.175 1.00 0.00 C ATOM 1681 SD MET A 107 13.050 26.935 -11.911 1.00 0.00 S ATOM 1682 CE MET A 107 13.070 26.737 -10.113 1.00 0.00 C ATOM 0 H MET A 107 16.568 24.665 -12.859 1.00 0.00 H new ATOM 0 HA MET A 107 13.898 25.051 -13.814 1.00 0.00 H new ATOM 0 HB2 MET A 107 16.370 26.822 -13.689 1.00 0.00 H new ATOM 0 HB3 MET A 107 14.824 27.385 -14.292 1.00 0.00 H new ATOM 0 HG2 MET A 107 15.294 26.222 -11.513 1.00 0.00 H new ATOM 0 HG3 MET A 107 15.218 27.935 -11.878 1.00 0.00 H new ATOM 0 HE1 MET A 107 12.047 26.699 -9.740 1.00 0.00 H new ATOM 0 HE2 MET A 107 13.585 25.812 -9.855 1.00 0.00 H new ATOM 0 HE3 MET A 107 13.591 27.581 -9.660 1.00 0.00 H new ATOM 1692 N CYS A 108 16.294 24.739 -16.064 1.00 0.00 N ATOM 1693 CA CYS A 108 16.535 24.404 -17.474 1.00 0.00 C ATOM 1694 C CYS A 108 15.893 23.058 -17.884 1.00 0.00 C ATOM 1695 O CYS A 108 15.347 22.964 -18.986 1.00 0.00 O ATOM 1696 CB CYS A 108 18.053 24.385 -17.730 1.00 0.00 C ATOM 1697 SG CYS A 108 18.774 26.027 -17.424 1.00 0.00 S ATOM 0 H CYS A 108 17.133 24.688 -15.486 1.00 0.00 H new ATOM 0 HA CYS A 108 16.060 25.168 -18.090 1.00 0.00 H new ATOM 0 HB2 CYS A 108 18.527 23.647 -17.083 1.00 0.00 H new ATOM 0 HB3 CYS A 108 18.250 24.081 -18.758 1.00 0.00 H new ATOM 0 HG CYS A 108 18.908 26.211 -16.144 1.00 0.00 H new ATOM 1703 N SER A 109 15.975 22.054 -16.995 1.00 0.00 N ATOM 1704 CA SER A 109 15.451 20.672 -17.080 1.00 0.00 C ATOM 1705 C SER A 109 16.315 19.766 -17.975 1.00 0.00 C ATOM 1706 O SER A 109 17.153 19.021 -17.414 1.00 0.00 O ATOM 1707 CB SER A 109 13.975 20.609 -17.496 1.00 0.00 C ATOM 1708 OG SER A 109 13.181 21.257 -16.523 1.00 0.00 O ATOM 1709 OXT SER A 109 16.163 19.784 -19.221 1.00 0.00 O ATOM 0 H SER A 109 16.458 22.200 -16.108 1.00 0.00 H new ATOM 0 HA SER A 109 15.510 20.284 -16.063 1.00 0.00 H new ATOM 0 HB2 SER A 109 13.840 21.086 -18.467 1.00 0.00 H new ATOM 0 HB3 SER A 109 13.661 19.571 -17.604 1.00 0.00 H new ATOM 0 HG SER A 109 12.793 20.589 -15.920 1.00 0.00 H new