USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 430 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 10 TYR OH : rot -1:sc= 0.192 USER MOD Set 1.2: A 32 LYS NZ :NH3+ -120:sc= 0.0566 (180deg=-0.466) USER MOD Set 2.1: A 8 THR OG1 : rot 180:sc= 0.0241 USER MOD Set 2.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 72:sc= 0.0731 USER MOD Single : A 13 GLN : amide:sc=-0.00523 K(o=-0.0052,f=-1.9!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -41:sc= 0.383 USER MOD Single : A 20 MET CE :methyl -129:sc= -8.94! (180deg=-19.4!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc=-0.00291 USER MOD Single : A 26 THR OG1 : rot -84:sc= 0.0665 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 150:sc= 0.137 USER MOD Single : A 40 LYS NZ :NH3+ -141:sc= -0.364 (180deg=-2.16!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc=-0.00545 (180deg=-0.00545) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0.16 X(o=0.16,f=0) USER MOD Single : A 58 MET CE :methyl -134:sc= -11.4! (180deg=-13.6!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N ASP A 5 0.157 -32.431 6.023 1.00 0.00 N ATOM 61 CA ASP A 5 -0.413 -31.790 7.243 1.00 0.00 C ATOM 62 C ASP A 5 -1.661 -30.981 6.881 1.00 0.00 C ATOM 63 O ASP A 5 -1.601 -29.783 6.691 1.00 0.00 O ATOM 64 CB ASP A 5 0.689 -30.866 7.763 1.00 0.00 C ATOM 65 CG ASP A 5 1.275 -31.443 9.054 1.00 0.00 C ATOM 66 OD1 ASP A 5 0.845 -32.514 9.451 1.00 0.00 O ATOM 67 OD2 ASP A 5 2.144 -30.804 9.623 1.00 0.00 O ATOM 0 HA ASP A 5 -0.714 -32.525 7.990 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.472 -30.759 7.012 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.286 -29.870 7.948 1.00 0.00 H new ATOM 72 N CYS A 6 -2.792 -31.626 6.787 1.00 0.00 N ATOM 73 CA CYS A 6 -4.037 -30.885 6.442 1.00 0.00 C ATOM 74 C CYS A 6 -4.749 -30.431 7.717 1.00 0.00 C ATOM 75 O CYS A 6 -4.925 -31.191 8.648 1.00 0.00 O ATOM 76 CB CYS A 6 -4.901 -31.885 5.678 1.00 0.00 C ATOM 77 SG CYS A 6 -3.943 -32.591 4.315 1.00 0.00 S ATOM 0 H CYS A 6 -2.907 -32.629 6.933 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.833 -29.991 5.852 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -5.239 -32.676 6.347 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.793 -31.391 5.292 1.00 0.00 H new ATOM 82 N CYS A 7 -5.159 -29.196 7.764 1.00 0.00 N ATOM 83 CA CYS A 7 -5.862 -28.690 8.976 1.00 0.00 C ATOM 84 C CYS A 7 -7.378 -28.782 8.785 1.00 0.00 C ATOM 85 O CYS A 7 -7.877 -28.721 7.678 1.00 0.00 O ATOM 86 CB CYS A 7 -5.420 -27.232 9.113 1.00 0.00 C ATOM 87 SG CYS A 7 -4.495 -27.030 10.657 1.00 0.00 S ATOM 0 H CYS A 7 -5.038 -28.514 7.016 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.621 -29.271 9.867 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.799 -26.947 8.264 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.289 -26.574 9.108 1.00 0.00 H new ATOM 92 N THR A 8 -8.113 -28.921 9.853 1.00 0.00 N ATOM 93 CA THR A 8 -9.596 -29.011 9.731 1.00 0.00 C ATOM 94 C THR A 8 -10.222 -27.644 10.018 1.00 0.00 C ATOM 95 O THR A 8 -11.346 -27.371 9.646 1.00 0.00 O ATOM 96 CB THR A 8 -10.022 -30.029 10.790 1.00 0.00 C ATOM 97 OG1 THR A 8 -9.515 -29.632 12.056 1.00 0.00 O ATOM 98 CG2 THR A 8 -9.470 -31.409 10.427 1.00 0.00 C ATOM 0 H THR A 8 -7.752 -28.976 10.805 1.00 0.00 H new ATOM 0 HA THR A 8 -9.915 -29.310 8.733 1.00 0.00 H new ATOM 0 HB THR A 8 -11.110 -30.076 10.832 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.788 -30.282 12.736 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.775 -32.133 11.183 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.860 -31.713 9.455 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.382 -31.366 10.384 1.00 0.00 H new ATOM 106 N SER A 9 -9.493 -26.783 10.672 1.00 0.00 N ATOM 107 CA SER A 9 -10.029 -25.427 10.985 1.00 0.00 C ATOM 108 C SER A 9 -8.908 -24.392 10.877 1.00 0.00 C ATOM 109 O SER A 9 -7.798 -24.617 11.317 1.00 0.00 O ATOM 110 CB SER A 9 -10.541 -25.521 12.423 1.00 0.00 C ATOM 111 OG SER A 9 -9.940 -26.635 13.068 1.00 0.00 O ATOM 0 H SER A 9 -8.545 -26.960 11.005 1.00 0.00 H new ATOM 0 HA SER A 9 -10.818 -25.121 10.298 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.307 -24.604 12.964 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.626 -25.626 12.428 1.00 0.00 H new ATOM 0 HG SER A 9 -10.267 -26.695 13.990 1.00 0.00 H new ATOM 117 N TYR A 10 -9.185 -23.259 10.292 1.00 0.00 N ATOM 118 CA TYR A 10 -8.126 -22.217 10.155 1.00 0.00 C ATOM 119 C TYR A 10 -8.136 -21.285 11.369 1.00 0.00 C ATOM 120 O TYR A 10 -8.983 -21.383 12.235 1.00 0.00 O ATOM 121 CB TYR A 10 -8.487 -21.452 8.882 1.00 0.00 C ATOM 122 CG TYR A 10 -8.519 -22.411 7.714 1.00 0.00 C ATOM 123 CD1 TYR A 10 -7.569 -23.436 7.622 1.00 0.00 C ATOM 124 CD2 TYR A 10 -9.500 -22.275 6.725 1.00 0.00 C ATOM 125 CE1 TYR A 10 -7.601 -24.325 6.539 1.00 0.00 C ATOM 126 CE2 TYR A 10 -9.531 -23.164 5.644 1.00 0.00 C ATOM 127 CZ TYR A 10 -8.582 -24.188 5.551 1.00 0.00 C ATOM 128 OH TYR A 10 -8.614 -25.064 4.485 1.00 0.00 O ATOM 0 H TYR A 10 -10.095 -23.009 9.904 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.126 -22.648 10.100 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.457 -20.969 8.997 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -7.758 -20.663 8.699 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.812 -23.541 8.385 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -10.233 -21.485 6.796 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.869 -25.116 6.467 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -10.288 -23.059 4.881 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.876 -25.704 4.565 1.00 0.00 H new ATOM 138 N ILE A 11 -7.197 -20.381 11.439 1.00 0.00 N ATOM 139 CA ILE A 11 -7.146 -19.442 12.596 1.00 0.00 C ATOM 140 C ILE A 11 -8.507 -18.766 12.784 1.00 0.00 C ATOM 141 O ILE A 11 -9.425 -18.972 12.015 1.00 0.00 O ATOM 142 CB ILE A 11 -6.074 -18.403 12.239 1.00 0.00 C ATOM 143 CG1 ILE A 11 -6.624 -17.434 11.188 1.00 0.00 C ATOM 144 CG2 ILE A 11 -4.825 -19.094 11.688 1.00 0.00 C ATOM 145 CD1 ILE A 11 -6.870 -18.182 9.876 1.00 0.00 C ATOM 0 H ILE A 11 -6.462 -20.252 10.744 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.910 -19.956 13.528 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.807 -17.853 13.141 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.553 -16.987 11.542 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.919 -16.619 11.026 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.074 -18.344 11.439 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.424 -19.774 12.440 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.086 -19.657 10.792 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.261 -17.490 9.130 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.932 -18.608 9.519 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.592 -18.982 10.043 1.00 0.00 H new ATOM 157 N SER A 12 -8.643 -17.960 13.801 1.00 0.00 N ATOM 158 CA SER A 12 -9.943 -17.271 14.041 1.00 0.00 C ATOM 159 C SER A 12 -9.865 -15.816 13.576 1.00 0.00 C ATOM 160 O SER A 12 -10.831 -15.081 13.634 1.00 0.00 O ATOM 161 CB SER A 12 -10.157 -17.339 15.553 1.00 0.00 C ATOM 162 OG SER A 12 -8.941 -17.687 16.196 1.00 0.00 O ATOM 0 H SER A 12 -7.909 -17.748 14.477 1.00 0.00 H new ATOM 0 HA SER A 12 -10.762 -17.736 13.493 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.512 -16.377 15.923 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.926 -18.074 15.788 1.00 0.00 H new ATOM 0 HG SER A 12 -8.322 -16.929 16.157 1.00 0.00 H new ATOM 168 N GLN A 13 -8.723 -15.395 13.110 1.00 0.00 N ATOM 169 CA GLN A 13 -8.582 -13.989 12.637 1.00 0.00 C ATOM 170 C GLN A 13 -7.549 -13.916 11.511 1.00 0.00 C ATOM 171 O GLN A 13 -7.115 -14.923 10.989 1.00 0.00 O ATOM 172 CB GLN A 13 -8.109 -13.201 13.859 1.00 0.00 C ATOM 173 CG GLN A 13 -6.779 -13.771 14.355 1.00 0.00 C ATOM 174 CD GLN A 13 -6.413 -13.114 15.689 1.00 0.00 C ATOM 175 OE1 GLN A 13 -7.237 -12.469 16.307 1.00 0.00 O ATOM 176 NE2 GLN A 13 -5.205 -13.252 16.163 1.00 0.00 N ATOM 0 H GLN A 13 -7.880 -15.964 13.036 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.515 -13.590 12.238 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.992 -12.148 13.602 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.857 -13.255 14.650 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.856 -14.851 14.478 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.995 -13.589 13.620 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.513 -13.793 15.645 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.953 -12.819 17.051 1.00 0.00 H new ATOM 185 N SER A 14 -7.155 -12.735 11.130 1.00 0.00 N ATOM 186 CA SER A 14 -6.154 -12.602 10.033 1.00 0.00 C ATOM 187 C SER A 14 -4.842 -13.293 10.417 1.00 0.00 C ATOM 188 O SER A 14 -4.434 -13.283 11.562 1.00 0.00 O ATOM 189 CB SER A 14 -5.937 -11.097 9.873 1.00 0.00 C ATOM 190 OG SER A 14 -5.607 -10.808 8.522 1.00 0.00 O ATOM 0 H SER A 14 -7.482 -11.855 11.529 1.00 0.00 H new ATOM 0 HA SER A 14 -6.497 -13.067 9.109 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.838 -10.556 10.162 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.138 -10.762 10.534 1.00 0.00 H new ATOM 0 HG SER A 14 -5.469 -9.843 8.418 1.00 0.00 H new ATOM 196 N ILE A 15 -4.179 -13.890 9.465 1.00 0.00 N ATOM 197 CA ILE A 15 -2.891 -14.580 9.765 1.00 0.00 C ATOM 198 C ILE A 15 -1.792 -13.543 10.029 1.00 0.00 C ATOM 199 O ILE A 15 -1.699 -12.548 9.338 1.00 0.00 O ATOM 200 CB ILE A 15 -2.575 -15.376 8.499 1.00 0.00 C ATOM 201 CG1 ILE A 15 -3.609 -16.498 8.320 1.00 0.00 C ATOM 202 CG2 ILE A 15 -1.165 -15.962 8.606 1.00 0.00 C ATOM 203 CD1 ILE A 15 -3.270 -17.683 9.228 1.00 0.00 C ATOM 0 H ILE A 15 -4.474 -13.930 8.489 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.953 -15.216 10.648 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.621 -14.718 7.631 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.606 -16.124 8.555 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.628 -16.822 7.279 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.938 -16.530 7.704 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.442 -15.154 8.717 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.109 -16.620 9.473 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.011 -18.470 9.091 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.282 -18.066 8.973 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.275 -17.357 10.268 1.00 0.00 H new ATOM 215 N PRO A 16 -0.994 -13.813 11.026 1.00 0.00 N ATOM 216 CA PRO A 16 0.112 -12.892 11.390 1.00 0.00 C ATOM 217 C PRO A 16 1.276 -13.016 10.403 1.00 0.00 C ATOM 218 O PRO A 16 2.263 -13.670 10.673 1.00 0.00 O ATOM 219 CB PRO A 16 0.528 -13.365 12.777 1.00 0.00 C ATOM 220 CG PRO A 16 0.120 -14.805 12.839 1.00 0.00 C ATOM 221 CD PRO A 16 -1.048 -14.988 11.901 1.00 0.00 C ATOM 0 HA PRO A 16 -0.187 -11.844 11.369 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.602 -13.253 12.926 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.036 -12.782 13.556 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.949 -15.451 12.549 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.159 -15.081 13.856 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.960 -15.913 11.331 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.992 -15.037 12.445 1.00 0.00 H new ATOM 229 N CYS A 17 1.176 -12.382 9.268 1.00 0.00 N ATOM 230 CA CYS A 17 2.285 -12.456 8.274 1.00 0.00 C ATOM 231 C CYS A 17 3.584 -11.940 8.904 1.00 0.00 C ATOM 232 O CYS A 17 4.669 -12.374 8.570 1.00 0.00 O ATOM 233 CB CYS A 17 1.871 -11.518 7.138 1.00 0.00 C ATOM 234 SG CYS A 17 0.216 -11.933 6.533 1.00 0.00 S ATOM 0 H CYS A 17 0.376 -11.816 8.985 1.00 0.00 H new ATOM 0 HA CYS A 17 2.456 -13.477 7.932 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.887 -10.486 7.488 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.590 -11.589 6.322 1.00 0.00 H new ATOM 239 N SER A 18 3.471 -10.998 9.804 1.00 0.00 N ATOM 240 CA SER A 18 4.686 -10.412 10.451 1.00 0.00 C ATOM 241 C SER A 18 5.383 -11.402 11.397 1.00 0.00 C ATOM 242 O SER A 18 6.278 -11.030 12.131 1.00 0.00 O ATOM 243 CB SER A 18 4.163 -9.209 11.235 1.00 0.00 C ATOM 244 OG SER A 18 5.258 -8.429 11.691 1.00 0.00 O ATOM 0 H SER A 18 2.584 -10.606 10.121 1.00 0.00 H new ATOM 0 HA SER A 18 5.436 -10.146 9.706 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.511 -8.606 10.604 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.565 -9.545 12.082 1.00 0.00 H new ATOM 0 HG SER A 18 5.970 -9.021 12.012 1.00 0.00 H new ATOM 250 N LEU A 19 5.002 -12.649 11.397 1.00 0.00 N ATOM 251 CA LEU A 19 5.675 -13.618 12.307 1.00 0.00 C ATOM 252 C LEU A 19 5.891 -14.958 11.599 1.00 0.00 C ATOM 253 O LEU A 19 6.363 -15.909 12.190 1.00 0.00 O ATOM 254 CB LEU A 19 4.718 -13.784 13.488 1.00 0.00 C ATOM 255 CG LEU A 19 5.230 -12.969 14.679 1.00 0.00 C ATOM 256 CD1 LEU A 19 4.508 -11.621 14.722 1.00 0.00 C ATOM 257 CD2 LEU A 19 4.958 -13.735 15.976 1.00 0.00 C ATOM 0 H LEU A 19 4.261 -13.037 10.813 1.00 0.00 H new ATOM 0 HA LEU A 19 6.658 -13.268 12.623 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.718 -13.451 13.209 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.639 -14.836 13.761 1.00 0.00 H new ATOM 0 HG LEU A 19 6.302 -12.804 14.573 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.872 -11.040 15.570 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.701 -11.075 13.798 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.436 -11.786 14.829 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.322 -13.155 16.824 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.886 -13.900 16.083 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.472 -14.696 15.946 1.00 0.00 H new ATOM 269 N MET A 20 5.550 -15.049 10.340 1.00 0.00 N ATOM 270 CA MET A 20 5.746 -16.341 9.619 1.00 0.00 C ATOM 271 C MET A 20 7.024 -16.301 8.775 1.00 0.00 C ATOM 272 O MET A 20 7.294 -15.344 8.076 1.00 0.00 O ATOM 273 CB MET A 20 4.518 -16.502 8.719 1.00 0.00 C ATOM 274 CG MET A 20 3.241 -16.184 9.505 1.00 0.00 C ATOM 275 SD MET A 20 2.770 -17.614 10.507 1.00 0.00 S ATOM 276 CE MET A 20 1.026 -17.178 10.723 1.00 0.00 C ATOM 0 H MET A 20 5.149 -14.293 9.785 1.00 0.00 H new ATOM 0 HA MET A 20 5.851 -17.174 10.314 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.599 -15.838 7.858 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.472 -17.520 8.333 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.403 -15.317 10.145 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.434 -15.927 8.818 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.769 -17.221 11.781 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.854 -16.169 10.348 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.404 -17.881 10.169 1.00 0.00 H new ATOM 286 N LYS A 21 7.808 -17.341 8.838 1.00 0.00 N ATOM 287 CA LYS A 21 9.070 -17.386 8.048 1.00 0.00 C ATOM 288 C LYS A 21 8.846 -18.101 6.707 1.00 0.00 C ATOM 289 O LYS A 21 9.401 -17.721 5.695 1.00 0.00 O ATOM 290 CB LYS A 21 10.046 -18.175 8.920 1.00 0.00 C ATOM 291 CG LYS A 21 11.256 -18.599 8.084 1.00 0.00 C ATOM 292 CD LYS A 21 12.513 -18.571 8.955 1.00 0.00 C ATOM 293 CE LYS A 21 13.754 -18.675 8.066 1.00 0.00 C ATOM 294 NZ LYS A 21 14.903 -18.453 8.988 1.00 0.00 N ATOM 0 H LYS A 21 7.627 -18.168 9.407 1.00 0.00 H new ATOM 0 HA LYS A 21 9.441 -16.389 7.809 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.370 -17.565 9.764 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.551 -19.054 9.333 1.00 0.00 H new ATOM 0 HG2 LYS A 21 11.101 -19.600 7.683 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.376 -17.929 7.232 1.00 0.00 H new ATOM 0 HD2 LYS A 21 12.545 -17.649 9.536 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.493 -19.396 9.667 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.816 -19.651 7.585 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.735 -17.929 7.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.793 -18.509 8.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.820 -17.513 9.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.899 -19.182 9.730 1.00 0.00 H new ATOM 308 N SER A 22 8.047 -19.138 6.686 1.00 0.00 N ATOM 309 CA SER A 22 7.813 -19.863 5.400 1.00 0.00 C ATOM 310 C SER A 22 6.512 -20.671 5.458 1.00 0.00 C ATOM 311 O SER A 22 6.359 -21.567 6.264 1.00 0.00 O ATOM 312 CB SER A 22 9.013 -20.797 5.250 1.00 0.00 C ATOM 313 OG SER A 22 9.088 -21.259 3.910 1.00 0.00 O ATOM 0 H SER A 22 7.551 -19.511 7.495 1.00 0.00 H new ATOM 0 HA SER A 22 7.715 -19.176 4.559 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.931 -20.273 5.517 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.918 -21.642 5.932 1.00 0.00 H new ATOM 0 HG SER A 22 9.858 -21.857 3.813 1.00 0.00 H new ATOM 319 N TYR A 23 5.576 -20.361 4.602 1.00 0.00 N ATOM 320 CA TYR A 23 4.283 -21.107 4.593 1.00 0.00 C ATOM 321 C TYR A 23 4.313 -22.212 3.529 1.00 0.00 C ATOM 322 O TYR A 23 5.165 -22.226 2.662 1.00 0.00 O ATOM 323 CB TYR A 23 3.230 -20.050 4.250 1.00 0.00 C ATOM 324 CG TYR A 23 3.304 -19.717 2.779 1.00 0.00 C ATOM 325 CD1 TYR A 23 2.591 -20.487 1.850 1.00 0.00 C ATOM 326 CD2 TYR A 23 4.083 -18.639 2.343 1.00 0.00 C ATOM 327 CE1 TYR A 23 2.660 -20.178 0.488 1.00 0.00 C ATOM 328 CE2 TYR A 23 4.151 -18.330 0.979 1.00 0.00 C ATOM 329 CZ TYR A 23 3.439 -19.100 0.051 1.00 0.00 C ATOM 330 OH TYR A 23 3.506 -18.796 -1.293 1.00 0.00 O ATOM 0 H TYR A 23 5.651 -19.620 3.905 1.00 0.00 H new ATOM 0 HA TYR A 23 4.076 -21.597 5.544 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.235 -20.419 4.500 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.395 -19.152 4.845 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.989 -21.318 2.186 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.632 -18.045 3.059 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.111 -20.772 -0.228 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.752 -17.498 0.643 1.00 0.00 H new ATOM 0 HH TYR A 23 4.089 -18.019 -1.424 1.00 0.00 H new ATOM 340 N PHE A 24 3.385 -23.133 3.578 1.00 0.00 N ATOM 341 CA PHE A 24 3.364 -24.223 2.560 1.00 0.00 C ATOM 342 C PHE A 24 1.928 -24.696 2.322 1.00 0.00 C ATOM 343 O PHE A 24 1.106 -24.689 3.217 1.00 0.00 O ATOM 344 CB PHE A 24 4.226 -25.348 3.148 1.00 0.00 C ATOM 345 CG PHE A 24 3.432 -26.162 4.149 1.00 0.00 C ATOM 346 CD1 PHE A 24 2.462 -27.075 3.707 1.00 0.00 C ATOM 347 CD2 PHE A 24 3.673 -26.009 5.521 1.00 0.00 C ATOM 348 CE1 PHE A 24 1.737 -27.831 4.638 1.00 0.00 C ATOM 349 CE2 PHE A 24 2.949 -26.766 6.449 1.00 0.00 C ATOM 350 CZ PHE A 24 1.981 -27.677 6.007 1.00 0.00 C ATOM 0 H PHE A 24 2.644 -23.177 4.277 1.00 0.00 H new ATOM 0 HA PHE A 24 3.748 -23.893 1.595 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.584 -25.995 2.347 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.106 -24.924 3.632 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.274 -27.195 2.650 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.418 -25.306 5.863 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.990 -28.533 4.299 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.137 -26.648 7.506 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.423 -28.261 6.724 1.00 0.00 H new ATOM 360 N GLU A 25 1.622 -25.116 1.127 1.00 0.00 N ATOM 361 CA GLU A 25 0.242 -25.598 0.842 1.00 0.00 C ATOM 362 C GLU A 25 0.169 -27.106 1.082 1.00 0.00 C ATOM 363 O GLU A 25 1.134 -27.819 0.897 1.00 0.00 O ATOM 364 CB GLU A 25 0.001 -25.273 -0.631 1.00 0.00 C ATOM 365 CG GLU A 25 0.907 -26.149 -1.500 1.00 0.00 C ATOM 366 CD GLU A 25 1.410 -25.335 -2.693 1.00 0.00 C ATOM 367 OE1 GLU A 25 0.587 -24.738 -3.368 1.00 0.00 O ATOM 368 OE2 GLU A 25 2.610 -25.322 -2.913 1.00 0.00 O ATOM 0 H GLU A 25 2.266 -25.147 0.337 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.507 -25.131 1.482 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.044 -25.446 -0.887 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.205 -24.219 -0.820 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.750 -26.513 -0.913 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.359 -27.024 -1.848 1.00 0.00 H new ATOM 375 N THR A 26 -0.964 -27.601 1.494 1.00 0.00 N ATOM 376 CA THR A 26 -1.078 -29.066 1.743 1.00 0.00 C ATOM 377 C THR A 26 -1.169 -29.819 0.414 1.00 0.00 C ATOM 378 O THR A 26 -0.989 -29.252 -0.645 1.00 0.00 O ATOM 379 CB THR A 26 -2.367 -29.238 2.551 1.00 0.00 C ATOM 380 OG1 THR A 26 -3.470 -28.764 1.791 1.00 0.00 O ATOM 381 CG2 THR A 26 -2.266 -28.448 3.855 1.00 0.00 C ATOM 0 H THR A 26 -1.811 -27.060 1.668 1.00 0.00 H new ATOM 0 HA THR A 26 -0.213 -29.463 2.275 1.00 0.00 H new ATOM 0 HB THR A 26 -2.511 -30.294 2.780 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.553 -27.794 1.904 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.185 -28.572 4.428 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.422 -28.816 4.439 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.119 -27.392 3.630 1.00 0.00 H new ATOM 389 N SER A 27 -1.450 -31.091 0.461 1.00 0.00 N ATOM 390 CA SER A 27 -1.554 -31.879 -0.801 1.00 0.00 C ATOM 391 C SER A 27 -3.009 -31.933 -1.273 1.00 0.00 C ATOM 392 O SER A 27 -3.924 -32.033 -0.480 1.00 0.00 O ATOM 393 CB SER A 27 -1.062 -33.279 -0.438 1.00 0.00 C ATOM 394 OG SER A 27 0.248 -33.196 0.104 1.00 0.00 O ATOM 0 H SER A 27 -1.612 -31.620 1.318 1.00 0.00 H new ATOM 0 HA SER A 27 -0.971 -31.438 -1.610 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.737 -33.737 0.285 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.061 -33.916 -1.322 1.00 0.00 H new ATOM 0 HG SER A 27 0.563 -34.094 0.338 1.00 0.00 H new ATOM 400 N SER A 28 -3.229 -31.875 -2.557 1.00 0.00 N ATOM 401 CA SER A 28 -4.626 -31.933 -3.073 1.00 0.00 C ATOM 402 C SER A 28 -5.224 -33.316 -2.809 1.00 0.00 C ATOM 403 O SER A 28 -6.399 -33.548 -3.013 1.00 0.00 O ATOM 404 CB SER A 28 -4.507 -31.674 -4.576 1.00 0.00 C ATOM 405 OG SER A 28 -5.732 -31.149 -5.064 1.00 0.00 O ATOM 0 H SER A 28 -2.504 -31.790 -3.270 1.00 0.00 H new ATOM 0 HA SER A 28 -5.278 -31.206 -2.589 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.695 -30.974 -4.772 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.262 -32.600 -5.097 1.00 0.00 H new ATOM 0 HG SER A 28 -5.656 -30.981 -6.027 1.00 0.00 H new ATOM 411 N GLU A 29 -4.418 -34.234 -2.356 1.00 0.00 N ATOM 412 CA GLU A 29 -4.926 -35.607 -2.074 1.00 0.00 C ATOM 413 C GLU A 29 -5.777 -35.606 -0.800 1.00 0.00 C ATOM 414 O GLU A 29 -6.550 -36.510 -0.559 1.00 0.00 O ATOM 415 CB GLU A 29 -3.669 -36.457 -1.878 1.00 0.00 C ATOM 416 CG GLU A 29 -3.969 -37.909 -2.253 1.00 0.00 C ATOM 417 CD GLU A 29 -2.764 -38.786 -1.904 1.00 0.00 C ATOM 418 OE1 GLU A 29 -2.350 -38.761 -0.757 1.00 0.00 O ATOM 419 OE2 GLU A 29 -2.275 -39.466 -2.792 1.00 0.00 O ATOM 0 H GLU A 29 -3.425 -34.093 -2.168 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.558 -35.988 -2.876 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.857 -36.072 -2.495 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.337 -36.400 -0.841 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.853 -38.258 -1.720 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.190 -37.983 -3.318 1.00 0.00 H new ATOM 426 N CYS A 30 -5.640 -34.597 0.017 1.00 0.00 N ATOM 427 CA CYS A 30 -6.443 -34.541 1.273 1.00 0.00 C ATOM 428 C CYS A 30 -7.909 -34.234 0.953 1.00 0.00 C ATOM 429 O CYS A 30 -8.233 -33.754 -0.115 1.00 0.00 O ATOM 430 CB CYS A 30 -5.821 -33.408 2.088 1.00 0.00 C ATOM 431 SG CYS A 30 -5.110 -34.083 3.611 1.00 0.00 S ATOM 0 H CYS A 30 -5.008 -33.810 -0.130 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.431 -35.487 1.814 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -5.049 -32.907 1.504 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.577 -32.660 2.327 1.00 0.00 H new ATOM 436 N SER A 31 -8.799 -34.512 1.867 1.00 0.00 N ATOM 437 CA SER A 31 -10.244 -34.239 1.610 1.00 0.00 C ATOM 438 C SER A 31 -10.466 -32.751 1.346 1.00 0.00 C ATOM 439 O SER A 31 -11.408 -32.355 0.691 1.00 0.00 O ATOM 440 CB SER A 31 -10.965 -34.675 2.885 1.00 0.00 C ATOM 441 OG SER A 31 -11.037 -36.093 2.927 1.00 0.00 O ATOM 0 H SER A 31 -8.589 -34.916 2.780 1.00 0.00 H new ATOM 0 HA SER A 31 -10.613 -34.771 0.733 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.435 -34.301 3.761 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.968 -34.248 2.913 1.00 0.00 H new ATOM 0 HG SER A 31 -11.498 -36.373 3.745 1.00 0.00 H new ATOM 447 N LYS A 32 -9.596 -31.931 1.849 1.00 0.00 N ATOM 448 CA LYS A 32 -9.733 -30.462 1.630 1.00 0.00 C ATOM 449 C LYS A 32 -8.354 -29.800 1.673 1.00 0.00 C ATOM 450 O LYS A 32 -7.468 -30.255 2.368 1.00 0.00 O ATOM 451 CB LYS A 32 -10.617 -29.959 2.773 1.00 0.00 C ATOM 452 CG LYS A 32 -9.830 -29.976 4.085 1.00 0.00 C ATOM 453 CD LYS A 32 -10.784 -29.730 5.257 1.00 0.00 C ATOM 454 CE LYS A 32 -11.372 -28.320 5.152 1.00 0.00 C ATOM 455 NZ LYS A 32 -10.265 -27.402 5.551 1.00 0.00 N ATOM 0 H LYS A 32 -8.789 -32.211 2.407 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.170 -30.227 0.660 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.963 -28.948 2.559 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.504 -30.587 2.862 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.327 -30.935 4.207 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.055 -29.210 4.066 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.584 -30.470 5.250 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.253 -29.844 6.202 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.711 -28.110 4.138 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.235 -28.204 5.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.556 -26.849 6.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.419 -27.960 5.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.048 -26.757 4.764 1.00 0.00 H new ATOM 469 N PRO A 33 -8.217 -28.748 0.914 1.00 0.00 N ATOM 470 CA PRO A 33 -6.930 -28.017 0.849 1.00 0.00 C ATOM 471 C PRO A 33 -6.678 -27.238 2.142 1.00 0.00 C ATOM 472 O PRO A 33 -7.449 -27.300 3.079 1.00 0.00 O ATOM 473 CB PRO A 33 -7.116 -27.063 -0.326 1.00 0.00 C ATOM 474 CG PRO A 33 -8.597 -26.874 -0.437 1.00 0.00 C ATOM 475 CD PRO A 33 -9.241 -28.145 0.053 1.00 0.00 C ATOM 0 HA PRO A 33 -6.074 -28.681 0.727 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.609 -26.115 -0.149 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.701 -27.480 -1.243 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.923 -26.022 0.159 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.883 -26.669 -1.469 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.158 -27.941 0.605 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.506 -28.803 -0.774 1.00 0.00 H new ATOM 483 N GLY A 34 -5.602 -26.504 2.191 1.00 0.00 N ATOM 484 CA GLY A 34 -5.285 -25.715 3.411 1.00 0.00 C ATOM 485 C GLY A 34 -3.808 -25.321 3.376 1.00 0.00 C ATOM 486 O GLY A 34 -2.952 -26.119 3.061 1.00 0.00 O ATOM 0 H GLY A 34 -4.925 -26.417 1.433 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.912 -24.824 3.457 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.498 -26.301 4.305 1.00 0.00 H new ATOM 490 N VAL A 35 -3.500 -24.098 3.701 1.00 0.00 N ATOM 491 CA VAL A 35 -2.071 -23.666 3.687 1.00 0.00 C ATOM 492 C VAL A 35 -1.605 -23.410 5.119 1.00 0.00 C ATOM 493 O VAL A 35 -2.160 -22.592 5.822 1.00 0.00 O ATOM 494 CB VAL A 35 -2.026 -22.375 2.846 1.00 0.00 C ATOM 495 CG1 VAL A 35 -3.301 -21.558 3.061 1.00 0.00 C ATOM 496 CG2 VAL A 35 -0.816 -21.528 3.252 1.00 0.00 C ATOM 0 H VAL A 35 -4.170 -23.380 3.975 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.412 -24.423 3.262 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.945 -22.651 1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.256 -20.649 2.461 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.167 -22.149 2.761 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.390 -21.293 4.115 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.792 -20.618 2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.893 -21.266 4.307 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.099 -22.097 3.085 1.00 0.00 H new ATOM 506 N ILE A 36 -0.593 -24.100 5.562 1.00 0.00 N ATOM 507 CA ILE A 36 -0.114 -23.885 6.952 1.00 0.00 C ATOM 508 C ILE A 36 1.111 -22.974 6.948 1.00 0.00 C ATOM 509 O ILE A 36 2.062 -23.200 6.230 1.00 0.00 O ATOM 510 CB ILE A 36 0.245 -25.279 7.474 1.00 0.00 C ATOM 511 CG1 ILE A 36 -1.033 -26.012 7.890 1.00 0.00 C ATOM 512 CG2 ILE A 36 1.180 -25.154 8.682 1.00 0.00 C ATOM 513 CD1 ILE A 36 -0.669 -27.257 8.703 1.00 0.00 C ATOM 0 H ILE A 36 -0.080 -24.799 5.025 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.864 -23.404 7.579 1.00 0.00 H new ATOM 0 HB ILE A 36 0.748 -25.841 6.687 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.667 -25.352 8.482 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.605 -26.296 7.007 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.433 -26.148 9.051 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.091 -24.634 8.385 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.682 -24.591 9.471 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.580 -27.778 8.998 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.052 -27.920 8.096 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.115 -26.961 9.594 1.00 0.00 H new ATOM 525 N PHE A 37 1.102 -21.952 7.752 1.00 0.00 N ATOM 526 CA PHE A 37 2.276 -21.038 7.790 1.00 0.00 C ATOM 527 C PHE A 37 3.257 -21.501 8.866 1.00 0.00 C ATOM 528 O PHE A 37 2.875 -21.810 9.975 1.00 0.00 O ATOM 529 CB PHE A 37 1.708 -19.662 8.144 1.00 0.00 C ATOM 530 CG PHE A 37 0.997 -19.075 6.947 1.00 0.00 C ATOM 531 CD1 PHE A 37 -0.349 -19.382 6.715 1.00 0.00 C ATOM 532 CD2 PHE A 37 1.680 -18.219 6.071 1.00 0.00 C ATOM 533 CE1 PHE A 37 -1.011 -18.836 5.609 1.00 0.00 C ATOM 534 CE2 PHE A 37 1.017 -17.675 4.965 1.00 0.00 C ATOM 535 CZ PHE A 37 -0.327 -17.982 4.734 1.00 0.00 C ATOM 0 H PHE A 37 0.338 -21.709 8.382 1.00 0.00 H new ATOM 0 HA PHE A 37 2.815 -21.019 6.843 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.016 -19.749 8.982 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.512 -18.998 8.462 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.877 -20.040 7.389 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.718 -17.980 6.250 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.049 -19.073 5.430 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.544 -17.018 4.290 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.838 -17.561 3.881 1.00 0.00 H new ATOM 545 N LEU A 38 4.519 -21.539 8.560 1.00 0.00 N ATOM 546 CA LEU A 38 5.509 -21.971 9.583 1.00 0.00 C ATOM 547 C LEU A 38 6.141 -20.730 10.202 1.00 0.00 C ATOM 548 O LEU A 38 6.786 -19.959 9.527 1.00 0.00 O ATOM 549 CB LEU A 38 6.550 -22.791 8.821 1.00 0.00 C ATOM 550 CG LEU A 38 6.769 -24.125 9.538 1.00 0.00 C ATOM 551 CD1 LEU A 38 7.072 -23.867 11.015 1.00 0.00 C ATOM 552 CD2 LEU A 38 5.507 -24.981 9.420 1.00 0.00 C ATOM 0 H LEU A 38 4.909 -21.291 7.651 1.00 0.00 H new ATOM 0 HA LEU A 38 5.065 -22.557 10.388 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.215 -22.966 7.799 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.489 -22.240 8.759 1.00 0.00 H new ATOM 0 HG LEU A 38 7.608 -24.649 9.080 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.228 -24.817 11.526 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.971 -23.257 11.101 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.233 -23.343 11.472 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.663 -25.931 9.931 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.668 -24.457 9.877 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.290 -25.166 8.368 1.00 0.00 H new ATOM 564 N THR A 39 5.941 -20.515 11.472 1.00 0.00 N ATOM 565 CA THR A 39 6.514 -19.297 12.112 1.00 0.00 C ATOM 566 C THR A 39 7.912 -19.576 12.653 1.00 0.00 C ATOM 567 O THR A 39 8.246 -20.688 13.011 1.00 0.00 O ATOM 568 CB THR A 39 5.566 -18.961 13.265 1.00 0.00 C ATOM 569 OG1 THR A 39 5.794 -19.863 14.339 1.00 0.00 O ATOM 570 CG2 THR A 39 4.112 -19.078 12.802 1.00 0.00 C ATOM 0 H THR A 39 5.409 -21.126 12.092 1.00 0.00 H new ATOM 0 HA THR A 39 6.606 -18.478 11.399 1.00 0.00 H new ATOM 0 HB THR A 39 5.753 -17.939 13.595 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.593 -19.418 15.189 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.446 -18.837 13.630 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.935 -18.384 11.980 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.918 -20.096 12.465 1.00 0.00 H new ATOM 578 N LYS A 40 8.732 -18.565 12.718 1.00 0.00 N ATOM 579 CA LYS A 40 10.114 -18.758 13.244 1.00 0.00 C ATOM 580 C LYS A 40 10.055 -19.132 14.727 1.00 0.00 C ATOM 581 O LYS A 40 10.942 -19.776 15.252 1.00 0.00 O ATOM 582 CB LYS A 40 10.803 -17.405 13.058 1.00 0.00 C ATOM 583 CG LYS A 40 12.196 -17.618 12.458 1.00 0.00 C ATOM 584 CD LYS A 40 12.899 -16.268 12.311 1.00 0.00 C ATOM 585 CE LYS A 40 14.408 -16.454 12.484 1.00 0.00 C ATOM 586 NZ LYS A 40 14.570 -16.992 13.865 1.00 0.00 N ATOM 0 H LYS A 40 8.506 -17.613 12.430 1.00 0.00 H new ATOM 0 HA LYS A 40 10.649 -19.557 12.730 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.207 -16.769 12.404 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.883 -16.891 14.016 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.782 -18.278 13.098 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.115 -18.106 11.487 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.685 -15.840 11.332 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.521 -15.567 13.055 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.809 -17.144 11.741 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.939 -15.510 12.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.409 -16.565 14.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.726 -16.762 14.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.688 -18.024 13.824 1.00 0.00 H new ATOM 600 N LYS A 41 9.013 -18.732 15.406 1.00 0.00 N ATOM 601 CA LYS A 41 8.891 -19.063 16.856 1.00 0.00 C ATOM 602 C LYS A 41 8.626 -20.557 17.039 1.00 0.00 C ATOM 603 O LYS A 41 8.625 -21.068 18.140 1.00 0.00 O ATOM 604 CB LYS A 41 7.696 -18.247 17.348 1.00 0.00 C ATOM 605 CG LYS A 41 8.163 -17.240 18.400 1.00 0.00 C ATOM 606 CD LYS A 41 7.612 -15.855 18.057 1.00 0.00 C ATOM 607 CE LYS A 41 8.690 -15.042 17.338 1.00 0.00 C ATOM 608 NZ LYS A 41 9.301 -14.196 18.401 1.00 0.00 N ATOM 0 H LYS A 41 8.240 -18.190 15.019 1.00 0.00 H new ATOM 0 HA LYS A 41 9.802 -18.832 17.409 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.230 -17.726 16.512 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.941 -18.908 17.773 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.821 -17.545 19.389 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.252 -17.212 18.434 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.730 -15.949 17.424 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.299 -15.341 18.966 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.432 -15.692 16.874 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.261 -14.431 16.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.052 -13.607 17.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.572 -13.584 18.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.707 -14.806 19.139 1.00 0.00 H new ATOM 622 N GLY A 42 8.403 -21.257 15.967 1.00 0.00 N ATOM 623 CA GLY A 42 8.137 -22.719 16.071 1.00 0.00 C ATOM 624 C GLY A 42 6.638 -22.952 16.279 1.00 0.00 C ATOM 625 O GLY A 42 6.227 -23.589 17.228 1.00 0.00 O ATOM 0 H GLY A 42 8.393 -20.881 15.019 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.472 -23.226 15.166 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.701 -23.144 16.902 1.00 0.00 H new ATOM 629 N ARG A 43 5.817 -22.446 15.398 1.00 0.00 N ATOM 630 CA ARG A 43 4.347 -22.643 15.546 1.00 0.00 C ATOM 631 C ARG A 43 3.689 -22.696 14.165 1.00 0.00 C ATOM 632 O ARG A 43 3.880 -21.824 13.343 1.00 0.00 O ATOM 633 CB ARG A 43 3.859 -21.423 16.330 1.00 0.00 C ATOM 634 CG ARG A 43 2.484 -21.720 16.932 1.00 0.00 C ATOM 635 CD ARG A 43 2.619 -21.906 18.446 1.00 0.00 C ATOM 636 NE ARG A 43 1.331 -22.522 18.869 1.00 0.00 N ATOM 637 CZ ARG A 43 0.907 -22.368 20.093 1.00 0.00 C ATOM 638 NH1 ARG A 43 1.695 -22.645 21.096 1.00 0.00 N ATOM 639 NH2 ARG A 43 -0.305 -21.936 20.316 1.00 0.00 N ATOM 0 H ARG A 43 6.102 -21.904 14.582 1.00 0.00 H new ATOM 0 HA ARG A 43 4.100 -23.575 16.055 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.568 -21.178 17.120 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.801 -20.555 15.673 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.796 -20.903 16.715 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.064 -22.619 16.480 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.465 -22.548 18.692 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.786 -20.953 18.948 1.00 0.00 H new ATOM 0 HE ARG A 43 0.781 -23.064 18.202 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.642 -22.982 20.923 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.364 -22.525 22.053 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.921 -21.719 19.533 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.636 -21.816 21.273 1.00 0.00 H new ATOM 653 N GLN A 44 2.926 -23.718 13.897 1.00 0.00 N ATOM 654 CA GLN A 44 2.273 -23.822 12.560 1.00 0.00 C ATOM 655 C GLN A 44 0.844 -23.271 12.606 1.00 0.00 C ATOM 656 O GLN A 44 0.080 -23.564 13.505 1.00 0.00 O ATOM 657 CB GLN A 44 2.260 -25.316 12.240 1.00 0.00 C ATOM 658 CG GLN A 44 3.663 -25.891 12.442 1.00 0.00 C ATOM 659 CD GLN A 44 3.635 -27.403 12.217 1.00 0.00 C ATOM 660 OE1 GLN A 44 3.938 -27.875 11.138 1.00 0.00 O ATOM 661 NE2 GLN A 44 3.282 -28.190 13.196 1.00 0.00 N ATOM 0 H GLN A 44 2.726 -24.483 14.541 1.00 0.00 H new ATOM 0 HA GLN A 44 2.804 -23.244 11.804 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.548 -25.831 12.885 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.934 -25.476 11.212 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.362 -25.423 11.749 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.016 -25.670 13.449 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.028 -27.795 14.101 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.260 -29.200 13.056 1.00 0.00 H new ATOM 670 N VAL A 45 0.478 -22.489 11.629 1.00 0.00 N ATOM 671 CA VAL A 45 -0.899 -21.924 11.586 1.00 0.00 C ATOM 672 C VAL A 45 -1.662 -22.557 10.422 1.00 0.00 C ATOM 673 O VAL A 45 -1.084 -23.231 9.594 1.00 0.00 O ATOM 674 CB VAL A 45 -0.707 -20.426 11.352 1.00 0.00 C ATOM 675 CG1 VAL A 45 -2.070 -19.731 11.343 1.00 0.00 C ATOM 676 CG2 VAL A 45 0.158 -19.842 12.470 1.00 0.00 C ATOM 0 H VAL A 45 1.079 -22.215 10.852 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.466 -22.116 12.497 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.214 -20.269 10.393 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.933 -18.663 11.176 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.685 -20.147 10.545 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.565 -19.888 12.302 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.295 -18.774 12.303 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.333 -19.999 13.430 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.130 -20.336 12.474 1.00 0.00 H new ATOM 686 N CYS A 46 -2.948 -22.347 10.344 1.00 0.00 N ATOM 687 CA CYS A 46 -3.727 -22.949 9.221 1.00 0.00 C ATOM 688 C CYS A 46 -4.698 -21.920 8.648 1.00 0.00 C ATOM 689 O CYS A 46 -5.596 -21.464 9.319 1.00 0.00 O ATOM 690 CB CYS A 46 -4.492 -24.113 9.851 1.00 0.00 C ATOM 691 SG CYS A 46 -3.329 -25.412 10.336 1.00 0.00 S ATOM 0 H CYS A 46 -3.491 -21.789 11.003 1.00 0.00 H new ATOM 0 HA CYS A 46 -3.088 -23.277 8.401 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -5.049 -23.766 10.721 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.220 -24.509 9.143 1.00 0.00 H new ATOM 696 N ALA A 47 -4.524 -21.545 7.413 1.00 0.00 N ATOM 697 CA ALA A 47 -5.441 -20.536 6.812 1.00 0.00 C ATOM 698 C ALA A 47 -5.970 -21.018 5.460 1.00 0.00 C ATOM 699 O ALA A 47 -5.371 -21.847 4.804 1.00 0.00 O ATOM 700 CB ALA A 47 -4.583 -19.287 6.633 1.00 0.00 C ATOM 0 H ALA A 47 -3.790 -21.891 6.795 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.314 -20.354 7.439 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.185 -18.492 6.193 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.206 -18.963 7.603 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.744 -19.513 5.975 1.00 0.00 H new ATOM 706 N LYS A 48 -7.090 -20.496 5.039 1.00 0.00 N ATOM 707 CA LYS A 48 -7.665 -20.906 3.732 1.00 0.00 C ATOM 708 C LYS A 48 -6.886 -20.258 2.585 1.00 0.00 C ATOM 709 O LYS A 48 -6.113 -19.344 2.798 1.00 0.00 O ATOM 710 CB LYS A 48 -9.109 -20.399 3.762 1.00 0.00 C ATOM 711 CG LYS A 48 -9.150 -18.947 4.243 1.00 0.00 C ATOM 712 CD LYS A 48 -9.819 -18.887 5.618 1.00 0.00 C ATOM 713 CE LYS A 48 -10.879 -17.785 5.622 1.00 0.00 C ATOM 714 NZ LYS A 48 -10.425 -16.825 6.669 1.00 0.00 N ATOM 0 H LYS A 48 -7.632 -19.799 5.549 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.616 -21.984 3.575 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.549 -20.473 2.767 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.708 -21.026 4.423 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.140 -18.542 4.300 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.700 -18.332 3.531 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.277 -19.848 5.854 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.073 -18.692 6.389 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.952 -17.302 4.647 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.866 -18.186 5.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.101 -16.037 6.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.371 -17.312 7.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.486 -16.456 6.418 1.00 0.00 H new ATOM 728 N PRO A 49 -7.114 -20.759 1.401 1.00 0.00 N ATOM 729 CA PRO A 49 -6.422 -20.226 0.201 1.00 0.00 C ATOM 730 C PRO A 49 -6.963 -18.840 -0.157 1.00 0.00 C ATOM 731 O PRO A 49 -6.241 -17.983 -0.626 1.00 0.00 O ATOM 732 CB PRO A 49 -6.756 -21.243 -0.887 1.00 0.00 C ATOM 733 CG PRO A 49 -8.033 -21.882 -0.438 1.00 0.00 C ATOM 734 CD PRO A 49 -8.031 -21.857 1.069 1.00 0.00 C ATOM 0 HA PRO A 49 -5.349 -20.102 0.344 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.876 -20.759 -1.856 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.961 -21.981 -0.995 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -8.894 -21.342 -0.832 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.103 -22.905 -0.807 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.030 -21.678 1.467 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.687 -22.804 1.484 1.00 0.00 H new ATOM 742 N SER A 50 -8.228 -18.611 0.063 1.00 0.00 N ATOM 743 CA SER A 50 -8.813 -17.279 -0.265 1.00 0.00 C ATOM 744 C SER A 50 -8.972 -16.444 1.009 1.00 0.00 C ATOM 745 O SER A 50 -9.634 -15.424 1.014 1.00 0.00 O ATOM 746 CB SER A 50 -10.177 -17.583 -0.882 1.00 0.00 C ATOM 747 OG SER A 50 -10.040 -17.723 -2.288 1.00 0.00 O ATOM 0 H SER A 50 -8.882 -19.288 0.456 1.00 0.00 H new ATOM 0 HA SER A 50 -8.180 -16.706 -0.943 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.586 -18.498 -0.453 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.879 -16.781 -0.652 1.00 0.00 H new ATOM 0 HG SER A 50 -10.915 -17.920 -2.684 1.00 0.00 H new ATOM 753 N GLY A 51 -8.371 -16.867 2.087 1.00 0.00 N ATOM 754 CA GLY A 51 -8.489 -16.096 3.356 1.00 0.00 C ATOM 755 C GLY A 51 -7.953 -14.679 3.143 1.00 0.00 C ATOM 756 O GLY A 51 -6.937 -14.489 2.503 1.00 0.00 O ATOM 0 H GLY A 51 -7.804 -17.713 2.144 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.530 -16.058 3.676 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.930 -16.592 4.149 1.00 0.00 H new ATOM 760 N PRO A 52 -8.661 -13.728 3.688 1.00 0.00 N ATOM 761 CA PRO A 52 -8.257 -12.307 3.558 1.00 0.00 C ATOM 762 C PRO A 52 -7.008 -12.032 4.400 1.00 0.00 C ATOM 763 O PRO A 52 -7.090 -11.542 5.509 1.00 0.00 O ATOM 764 CB PRO A 52 -9.462 -11.541 4.094 1.00 0.00 C ATOM 765 CG PRO A 52 -10.148 -12.502 5.014 1.00 0.00 C ATOM 766 CD PRO A 52 -9.891 -13.884 4.473 1.00 0.00 C ATOM 0 HA PRO A 52 -8.002 -12.022 2.537 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.154 -10.639 4.623 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.123 -11.227 3.286 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.763 -12.407 6.029 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.218 -12.297 5.059 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.764 -14.611 5.275 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.719 -14.232 3.855 1.00 0.00 H new ATOM 774 N GLY A 53 -5.854 -12.348 3.880 1.00 0.00 N ATOM 775 CA GLY A 53 -4.600 -12.110 4.647 1.00 0.00 C ATOM 776 C GLY A 53 -3.646 -13.288 4.437 1.00 0.00 C ATOM 777 O GLY A 53 -2.449 -13.165 4.594 1.00 0.00 O ATOM 0 H GLY A 53 -5.726 -12.761 2.956 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.130 -11.183 4.318 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.825 -11.994 5.707 1.00 0.00 H new ATOM 781 N VAL A 54 -4.168 -14.432 4.081 1.00 0.00 N ATOM 782 CA VAL A 54 -3.289 -15.616 3.857 1.00 0.00 C ATOM 783 C VAL A 54 -2.329 -15.339 2.706 1.00 0.00 C ATOM 784 O VAL A 54 -1.139 -15.564 2.806 1.00 0.00 O ATOM 785 CB VAL A 54 -4.240 -16.756 3.496 1.00 0.00 C ATOM 786 CG1 VAL A 54 -3.430 -18.021 3.209 1.00 0.00 C ATOM 787 CG2 VAL A 54 -5.198 -17.015 4.658 1.00 0.00 C ATOM 0 H VAL A 54 -5.164 -14.597 3.936 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.684 -15.855 4.732 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.814 -16.482 2.611 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.107 -18.836 2.951 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.750 -17.837 2.377 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.855 -18.293 4.094 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.875 -17.829 4.397 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.628 -17.288 5.546 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.776 -16.113 4.861 1.00 0.00 H new ATOM 797 N GLN A 55 -2.833 -14.841 1.615 1.00 0.00 N ATOM 798 CA GLN A 55 -1.939 -14.541 0.467 1.00 0.00 C ATOM 799 C GLN A 55 -1.007 -13.401 0.862 1.00 0.00 C ATOM 800 O GLN A 55 0.085 -13.266 0.350 1.00 0.00 O ATOM 801 CB GLN A 55 -2.868 -14.120 -0.674 1.00 0.00 C ATOM 802 CG GLN A 55 -2.607 -15.005 -1.894 1.00 0.00 C ATOM 803 CD GLN A 55 -3.609 -16.161 -1.907 1.00 0.00 C ATOM 804 OE1 GLN A 55 -4.548 -16.160 -2.678 1.00 0.00 O ATOM 805 NE2 GLN A 55 -3.448 -17.158 -1.079 1.00 0.00 N ATOM 0 H GLN A 55 -3.820 -14.630 1.469 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.322 -15.389 0.171 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.909 -14.209 -0.362 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.700 -13.073 -0.927 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.699 -14.419 -2.808 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.589 -15.392 -1.865 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.660 -17.161 -0.431 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.110 -17.934 -1.080 1.00 0.00 H new ATOM 814 N ASP A 56 -1.429 -12.592 1.794 1.00 0.00 N ATOM 815 CA ASP A 56 -0.565 -11.474 2.252 1.00 0.00 C ATOM 816 C ASP A 56 0.636 -12.043 3.008 1.00 0.00 C ATOM 817 O ASP A 56 1.752 -11.588 2.848 1.00 0.00 O ATOM 818 CB ASP A 56 -1.449 -10.637 3.178 1.00 0.00 C ATOM 819 CG ASP A 56 -0.638 -9.467 3.739 1.00 0.00 C ATOM 820 OD1 ASP A 56 0.502 -9.312 3.333 1.00 0.00 O ATOM 821 OD2 ASP A 56 -1.172 -8.745 4.564 1.00 0.00 O ATOM 0 H ASP A 56 -2.335 -12.659 2.257 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.176 -10.874 1.429 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.315 -10.264 2.632 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.828 -11.254 3.993 1.00 0.00 H new ATOM 826 N CYS A 57 0.425 -13.047 3.821 1.00 0.00 N ATOM 827 CA CYS A 57 1.574 -13.641 4.560 1.00 0.00 C ATOM 828 C CYS A 57 2.530 -14.288 3.561 1.00 0.00 C ATOM 829 O CYS A 57 3.734 -14.227 3.704 1.00 0.00 O ATOM 830 CB CYS A 57 0.972 -14.699 5.483 1.00 0.00 C ATOM 831 SG CYS A 57 0.047 -13.918 6.834 1.00 0.00 S ATOM 0 H CYS A 57 -0.483 -13.475 4.002 1.00 0.00 H new ATOM 0 HA CYS A 57 2.133 -12.897 5.127 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.311 -15.353 4.913 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.765 -15.325 5.892 1.00 0.00 H new ATOM 836 N MET A 58 1.995 -14.905 2.546 1.00 0.00 N ATOM 837 CA MET A 58 2.865 -15.555 1.529 1.00 0.00 C ATOM 838 C MET A 58 3.646 -14.498 0.748 1.00 0.00 C ATOM 839 O MET A 58 4.768 -14.722 0.337 1.00 0.00 O ATOM 840 CB MET A 58 1.909 -16.291 0.597 1.00 0.00 C ATOM 841 CG MET A 58 1.142 -17.361 1.376 1.00 0.00 C ATOM 842 SD MET A 58 0.266 -18.431 0.208 1.00 0.00 S ATOM 843 CE MET A 58 -0.974 -19.067 1.360 1.00 0.00 C ATOM 0 H MET A 58 0.993 -14.987 2.377 1.00 0.00 H new ATOM 0 HA MET A 58 3.593 -16.226 1.985 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.210 -15.585 0.148 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.466 -16.752 -0.219 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.830 -17.950 1.982 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.435 -16.893 2.060 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.058 -20.147 1.244 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.675 -18.834 2.382 1.00 0.00 H new ATOM 0 HE3 MET A 58 -1.938 -18.603 1.150 1.00 0.00 H new ATOM 853 N LYS A 59 3.070 -13.344 0.539 1.00 0.00 N ATOM 854 CA LYS A 59 3.799 -12.285 -0.213 1.00 0.00 C ATOM 855 C LYS A 59 5.015 -11.850 0.598 1.00 0.00 C ATOM 856 O LYS A 59 6.133 -11.860 0.121 1.00 0.00 O ATOM 857 CB LYS A 59 2.803 -11.135 -0.354 1.00 0.00 C ATOM 858 CG LYS A 59 2.775 -10.661 -1.810 1.00 0.00 C ATOM 859 CD LYS A 59 1.487 -11.141 -2.481 1.00 0.00 C ATOM 860 CE LYS A 59 1.788 -11.559 -3.922 1.00 0.00 C ATOM 861 NZ LYS A 59 0.978 -12.791 -4.141 1.00 0.00 N ATOM 0 H LYS A 59 2.133 -13.091 0.854 1.00 0.00 H new ATOM 0 HA LYS A 59 4.154 -12.622 -1.187 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.809 -11.461 -0.047 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.086 -10.312 0.302 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.834 -9.573 -1.850 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.642 -11.048 -2.346 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.067 -11.981 -1.928 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.741 -10.347 -2.470 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.512 -10.774 -4.627 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.851 -11.755 -4.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.131 -13.139 -5.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.267 -13.522 -3.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.030 -12.572 -4.007 1.00 0.00 H new ATOM 875 N LYS A 60 4.804 -11.487 1.830 1.00 0.00 N ATOM 876 CA LYS A 60 5.943 -11.071 2.689 1.00 0.00 C ATOM 877 C LYS A 60 6.819 -12.288 3.004 1.00 0.00 C ATOM 878 O LYS A 60 7.957 -12.158 3.411 1.00 0.00 O ATOM 879 CB LYS A 60 5.297 -10.526 3.964 1.00 0.00 C ATOM 880 CG LYS A 60 6.362 -9.841 4.823 1.00 0.00 C ATOM 881 CD LYS A 60 7.087 -8.785 3.988 1.00 0.00 C ATOM 882 CE LYS A 60 7.151 -7.472 4.770 1.00 0.00 C ATOM 883 NZ LYS A 60 6.619 -6.442 3.832 1.00 0.00 N ATOM 0 H LYS A 60 3.889 -11.461 2.280 1.00 0.00 H new ATOM 0 HA LYS A 60 6.582 -10.328 2.212 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.508 -9.818 3.711 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.830 -11.337 4.523 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.899 -9.377 5.694 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.074 -10.578 5.195 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.094 -9.126 3.746 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.566 -8.633 3.043 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.553 -7.524 5.680 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.172 -7.241 5.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.630 -5.511 4.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.212 -6.411 2.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.643 -6.685 3.567 1.00 0.00 H new ATOM 897 N LEU A 61 6.295 -13.471 2.817 1.00 0.00 N ATOM 898 CA LEU A 61 7.093 -14.697 3.108 1.00 0.00 C ATOM 899 C LEU A 61 8.132 -14.928 2.007 1.00 0.00 C ATOM 900 O LEU A 61 8.902 -15.867 2.055 1.00 0.00 O ATOM 901 CB LEU A 61 6.068 -15.836 3.129 1.00 0.00 C ATOM 902 CG LEU A 61 5.647 -16.159 4.574 1.00 0.00 C ATOM 903 CD1 LEU A 61 6.596 -17.205 5.159 1.00 0.00 C ATOM 904 CD2 LEU A 61 5.682 -14.895 5.444 1.00 0.00 C ATOM 0 H LEU A 61 5.349 -13.640 2.475 1.00 0.00 H new ATOM 0 HA LEU A 61 7.641 -14.622 4.047 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.192 -15.555 2.543 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.493 -16.724 2.661 1.00 0.00 H new ATOM 0 HG LEU A 61 4.628 -16.547 4.562 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.299 -17.434 6.182 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.553 -18.112 4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.614 -16.815 5.156 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.381 -15.145 6.461 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.693 -14.488 5.454 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.997 -14.153 5.035 1.00 0.00 H new