USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 507 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 Single : A 1 LEU N :NH3+ 171:sc= 0.227 (180deg=0.201) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.844 X(o=-0.84,f=-1.1) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.0572 X(o=-0.057,f=-0.06) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -1.62 X(o=-1.6,f=-1.4) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -144:sc= 1.4 (180deg=-0.322) USER MOD Single : A 29 TYR OH : rot 15:sc= -0.852 USER MOD Single : A 31 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0408) USER MOD Single : A 32 ASN : amide:sc= 0.32 K(o=0.32,f=-2.2!) USER MOD Single : A 33 GLN : amide:sc= -1.14 K(o=-1.1,f=-4.1!) USER MOD Single : A 39 GLN : amide:sc= -0.0376 X(o=-0.038,f=-0.038) USER MOD Single : A 45 SER OG : rot 41:sc= 0.115 USER MOD Single : A 48 LYS NZ :NH3+ -152:sc= -0.121 (180deg=-0.666) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.0577 X(o=-0.058,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN :FLIP amide:sc= -2.48 F(o=-3,f=-2.5) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.481 USER MOD Single : A 62 LYS NZ :NH3+ 165:sc= -0.0123 (180deg=-0.27) USER MOD Single : A 64 ASN :FLIP amide:sc= -1.59! C(o=-3.1!,f=-1.6!) USER MOD Single : A 65 LYS NZ :NH3+ -155:sc= -0.401 (180deg=-1.46) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 0.846 -0.346 0.049 1.00 0.00 N ATOM 2 CA LEU A 1 1.755 -0.342 -1.092 1.00 0.00 C ATOM 3 C LEU A 1 1.256 -1.277 -2.189 1.00 0.00 C ATOM 4 O LEU A 1 0.594 -2.279 -1.913 1.00 0.00 O ATOM 5 CB LEU A 1 3.159 -0.757 -0.652 1.00 0.00 C ATOM 6 CG LEU A 1 4.312 0.082 -1.206 1.00 0.00 C ATOM 7 CD1 LEU A 1 5.335 0.368 -0.117 1.00 0.00 C ATOM 8 CD2 LEU A 1 4.967 -0.624 -2.384 1.00 0.00 C ATOM 0 H1 LEU A 1 1.278 0.174 0.839 1.00 0.00 H new ATOM 0 H2 LEU A 1 -0.049 0.112 -0.218 1.00 0.00 H new ATOM 0 H3 LEU A 1 0.659 -1.327 0.341 1.00 0.00 H new ATOM 0 HA LEU A 1 1.791 0.671 -1.493 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.202 -0.723 0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.318 -1.795 -0.945 1.00 0.00 H new ATOM 0 HG LEU A 1 3.909 1.032 -1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 1 6.148 0.966 -0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 1 4.858 0.916 0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 1 5.733 -0.572 0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 1 5.785 -0.013 -2.765 1.00 0.00 H new ATOM 0 HD22 LEU A 1 5.356 -1.589 -2.059 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.230 -0.777 -3.172 1.00 0.00 H new ATOM 20 N THR A 2 1.579 -0.945 -3.435 1.00 0.00 N ATOM 21 CA THR A 2 1.165 -1.755 -4.574 1.00 0.00 C ATOM 22 C THR A 2 2.340 -2.538 -5.147 1.00 0.00 C ATOM 23 O THR A 2 3.405 -1.978 -5.409 1.00 0.00 O ATOM 24 CB THR A 2 0.550 -0.886 -5.687 1.00 0.00 C ATOM 25 OG1 THR A 2 -0.550 -0.130 -5.168 1.00 0.00 O ATOM 26 CG2 THR A 2 0.076 -1.749 -6.847 1.00 0.00 C ATOM 0 H THR A 2 2.126 -0.120 -3.681 1.00 0.00 H new ATOM 0 HA THR A 2 0.411 -2.452 -4.209 1.00 0.00 H new ATOM 0 HB THR A 2 1.318 -0.204 -6.051 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.934 0.421 -5.882 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.355 -1.114 -7.621 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.921 -2.301 -7.259 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.678 -2.452 -6.493 1.00 0.00 H new ATOM 34 N CYS A 3 2.141 -3.838 -5.341 1.00 0.00 N ATOM 35 CA CYS A 3 3.184 -4.699 -5.884 1.00 0.00 C ATOM 36 C CYS A 3 2.587 -5.767 -6.796 1.00 0.00 C ATOM 37 O CYS A 3 1.449 -6.199 -6.604 1.00 0.00 O ATOM 38 CB CYS A 3 3.969 -5.362 -4.750 1.00 0.00 C ATOM 39 SG CYS A 3 4.646 -4.189 -3.532 1.00 0.00 S ATOM 0 H CYS A 3 1.266 -4.318 -5.130 1.00 0.00 H new ATOM 0 HA CYS A 3 3.861 -4.080 -6.473 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.317 -6.068 -4.236 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.789 -5.939 -5.178 1.00 0.00 H new ATOM 44 N LEU A 4 3.362 -6.190 -7.788 1.00 0.00 N ATOM 45 CA LEU A 4 2.911 -7.209 -8.731 1.00 0.00 C ATOM 46 C LEU A 4 3.262 -8.606 -8.231 1.00 0.00 C ATOM 47 O LEU A 4 4.375 -8.848 -7.764 1.00 0.00 O ATOM 48 CB LEU A 4 3.539 -6.973 -10.106 1.00 0.00 C ATOM 49 CG LEU A 4 3.830 -5.517 -10.470 1.00 0.00 C ATOM 50 CD1 LEU A 4 4.612 -5.439 -11.772 1.00 0.00 C ATOM 51 CD2 LEU A 4 2.536 -4.724 -10.575 1.00 0.00 C ATOM 0 H LEU A 4 4.306 -5.844 -7.961 1.00 0.00 H new ATOM 0 HA LEU A 4 1.827 -7.136 -8.817 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.473 -7.533 -10.158 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.875 -7.390 -10.863 1.00 0.00 H new ATOM 0 HG LEU A 4 4.437 -5.079 -9.678 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.810 -4.395 -12.015 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.557 -5.971 -11.662 1.00 0.00 H new ATOM 0 HD13 LEU A 4 4.030 -5.894 -12.574 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.763 -3.690 -10.835 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.903 -5.161 -11.347 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.014 -4.752 -9.619 1.00 0.00 H new ATOM 63 N ILE A 5 2.306 -9.523 -8.335 1.00 0.00 N ATOM 64 CA ILE A 5 2.516 -10.898 -7.897 1.00 0.00 C ATOM 65 C ILE A 5 1.943 -11.889 -8.904 1.00 0.00 C ATOM 66 O ILE A 5 0.968 -11.595 -9.595 1.00 0.00 O ATOM 67 CB ILE A 5 1.875 -11.154 -6.520 1.00 0.00 C ATOM 68 CG1 ILE A 5 0.441 -11.661 -6.687 1.00 0.00 C ATOM 69 CG2 ILE A 5 1.900 -9.885 -5.680 1.00 0.00 C ATOM 70 CD1 ILE A 5 -0.479 -10.662 -7.355 1.00 0.00 C ATOM 0 H ILE A 5 1.379 -9.339 -8.718 1.00 0.00 H new ATOM 0 HA ILE A 5 3.593 -11.044 -7.820 1.00 0.00 H new ATOM 0 HB ILE A 5 2.453 -11.920 -6.003 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.455 -12.579 -7.274 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.038 -11.915 -5.707 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.444 -10.082 -4.710 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.932 -9.563 -5.537 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.343 -9.100 -6.191 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.478 -11.088 -7.441 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.523 -9.752 -6.757 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.099 -10.426 -8.349 1.00 0.00 H new ATOM 82 N CYS A 6 2.555 -13.066 -8.980 1.00 0.00 N ATOM 83 CA CYS A 6 2.106 -14.103 -9.902 1.00 0.00 C ATOM 84 C CYS A 6 3.095 -15.265 -9.936 1.00 0.00 C ATOM 85 O CYS A 6 4.095 -15.240 -10.654 1.00 0.00 O ATOM 86 CB CYS A 6 1.932 -13.525 -11.307 1.00 0.00 C ATOM 87 SG CYS A 6 1.756 -14.784 -12.612 1.00 0.00 S ATOM 0 H CYS A 6 3.363 -13.326 -8.414 1.00 0.00 H new ATOM 0 HA CYS A 6 1.145 -14.477 -9.549 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.053 -12.881 -11.317 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.791 -12.895 -11.538 1.00 0.00 H new ATOM 92 N PRO A 7 2.811 -16.308 -9.143 1.00 0.00 N ATOM 93 CA PRO A 7 3.662 -17.499 -9.065 1.00 0.00 C ATOM 94 C PRO A 7 3.613 -18.331 -10.342 1.00 0.00 C ATOM 95 O PRO A 7 2.914 -19.341 -10.408 1.00 0.00 O ATOM 96 CB PRO A 7 3.069 -18.283 -7.892 1.00 0.00 C ATOM 97 CG PRO A 7 1.647 -17.845 -7.824 1.00 0.00 C ATOM 98 CD PRO A 7 1.636 -16.406 -8.261 1.00 0.00 C ATOM 0 HA PRO A 7 4.713 -17.241 -8.934 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.145 -19.358 -8.056 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.596 -18.064 -6.963 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.019 -18.455 -8.474 1.00 0.00 H new ATOM 0 HG3 PRO A 7 1.255 -17.949 -6.812 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.716 -16.153 -8.788 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.714 -15.727 -7.411 1.00 0.00 H new ATOM 106 N GLU A 8 4.360 -17.900 -11.354 1.00 0.00 N ATOM 107 CA GLU A 8 4.400 -18.606 -12.629 1.00 0.00 C ATOM 108 C GLU A 8 5.640 -18.218 -13.428 1.00 0.00 C ATOM 109 O GLU A 8 6.367 -17.295 -13.059 1.00 0.00 O ATOM 110 CB GLU A 8 3.140 -18.305 -13.443 1.00 0.00 C ATOM 111 CG GLU A 8 1.986 -19.250 -13.151 1.00 0.00 C ATOM 112 CD GLU A 8 1.140 -19.534 -14.377 1.00 0.00 C ATOM 113 OE1 GLU A 8 0.202 -18.753 -14.645 1.00 0.00 O ATOM 114 OE2 GLU A 8 1.415 -20.537 -15.068 1.00 0.00 O ATOM 0 H GLU A 8 4.945 -17.066 -11.315 1.00 0.00 H new ATOM 0 HA GLU A 8 4.443 -19.675 -12.422 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.822 -17.283 -13.239 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.382 -18.358 -14.504 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.380 -20.188 -12.761 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.357 -18.819 -12.372 1.00 0.00 H new ATOM 121 N LYS A 9 5.877 -18.929 -14.525 1.00 0.00 N ATOM 122 CA LYS A 9 7.028 -18.660 -15.378 1.00 0.00 C ATOM 123 C LYS A 9 7.091 -17.184 -15.757 1.00 0.00 C ATOM 124 O LYS A 9 7.863 -16.417 -15.181 1.00 0.00 O ATOM 125 CB LYS A 9 6.964 -19.520 -16.642 1.00 0.00 C ATOM 126 CG LYS A 9 7.635 -20.875 -16.490 1.00 0.00 C ATOM 127 CD LYS A 9 6.626 -21.963 -16.162 1.00 0.00 C ATOM 128 CE LYS A 9 6.951 -22.644 -14.841 1.00 0.00 C ATOM 129 NZ LYS A 9 5.741 -23.244 -14.214 1.00 0.00 N ATOM 0 H LYS A 9 5.286 -19.697 -14.844 1.00 0.00 H new ATOM 0 HA LYS A 9 7.929 -18.912 -14.820 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.920 -19.670 -16.917 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.436 -18.980 -17.463 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.158 -21.129 -17.412 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.386 -20.824 -15.701 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.626 -21.531 -16.114 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.615 -22.704 -16.962 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.697 -23.421 -15.007 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.393 -21.919 -14.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.004 -23.698 -13.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.039 -22.499 -14.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.334 -23.955 -14.855 1.00 0.00 H new ATOM 143 N ASP A 10 6.275 -16.793 -16.729 1.00 0.00 N ATOM 144 CA ASP A 10 6.236 -15.407 -17.184 1.00 0.00 C ATOM 145 C ASP A 10 4.844 -14.812 -16.992 1.00 0.00 C ATOM 146 O ASP A 10 3.937 -15.057 -17.788 1.00 0.00 O ATOM 147 CB ASP A 10 6.644 -15.320 -18.655 1.00 0.00 C ATOM 148 CG ASP A 10 6.005 -16.405 -19.499 1.00 0.00 C ATOM 149 OD1 ASP A 10 6.549 -17.529 -19.531 1.00 0.00 O ATOM 150 OD2 ASP A 10 4.961 -16.131 -20.127 1.00 0.00 O ATOM 0 H ASP A 10 5.631 -17.415 -17.218 1.00 0.00 H new ATOM 0 HA ASP A 10 6.943 -14.833 -16.585 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.362 -14.344 -19.050 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.729 -15.395 -18.733 1.00 0.00 H new ATOM 155 N CYS A 11 4.683 -14.028 -15.931 1.00 0.00 N ATOM 156 CA CYS A 11 3.402 -13.398 -15.634 1.00 0.00 C ATOM 157 C CYS A 11 3.493 -12.556 -14.364 1.00 0.00 C ATOM 158 O CYS A 11 4.133 -12.951 -13.391 1.00 0.00 O ATOM 159 CB CYS A 11 2.312 -14.459 -15.478 1.00 0.00 C ATOM 160 SG CYS A 11 0.994 -14.005 -14.306 1.00 0.00 S ATOM 0 H CYS A 11 5.423 -13.814 -15.263 1.00 0.00 H new ATOM 0 HA CYS A 11 3.145 -12.743 -16.467 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.865 -14.652 -16.453 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.772 -15.391 -15.148 1.00 0.00 H new ATOM 165 N GLN A 12 2.847 -11.394 -14.384 1.00 0.00 N ATOM 166 CA GLN A 12 2.855 -10.497 -13.235 1.00 0.00 C ATOM 167 C GLN A 12 1.551 -9.709 -13.151 1.00 0.00 C ATOM 168 O GLN A 12 1.229 -8.924 -14.042 1.00 0.00 O ATOM 169 CB GLN A 12 4.041 -9.535 -13.320 1.00 0.00 C ATOM 170 CG GLN A 12 5.184 -9.895 -12.386 1.00 0.00 C ATOM 171 CD GLN A 12 6.543 -9.557 -12.968 1.00 0.00 C ATOM 172 OE1 GLN A 12 7.438 -10.401 -13.016 1.00 0.00 O ATOM 173 NE2 GLN A 12 6.704 -8.316 -13.414 1.00 0.00 N ATOM 0 H GLN A 12 2.312 -11.052 -15.183 1.00 0.00 H new ATOM 0 HA GLN A 12 2.952 -11.103 -12.334 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.412 -9.518 -14.345 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.698 -8.527 -13.089 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.056 -9.367 -11.441 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.144 -10.961 -12.163 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.935 -7.649 -13.354 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.597 -8.030 -13.816 1.00 0.00 H new ATOM 182 N LYS A 13 0.804 -9.924 -12.073 1.00 0.00 N ATOM 183 CA LYS A 13 -0.464 -9.234 -11.870 1.00 0.00 C ATOM 184 C LYS A 13 -0.384 -8.289 -10.675 1.00 0.00 C ATOM 185 O LYS A 13 -0.025 -8.698 -9.571 1.00 0.00 O ATOM 186 CB LYS A 13 -1.591 -10.247 -11.659 1.00 0.00 C ATOM 187 CG LYS A 13 -2.945 -9.761 -12.145 1.00 0.00 C ATOM 188 CD LYS A 13 -4.060 -10.180 -11.202 1.00 0.00 C ATOM 189 CE LYS A 13 -5.093 -11.044 -11.909 1.00 0.00 C ATOM 190 NZ LYS A 13 -5.730 -12.019 -10.980 1.00 0.00 N ATOM 0 H LYS A 13 1.056 -10.571 -11.326 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.676 -8.645 -12.762 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.339 -11.172 -12.178 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.660 -10.486 -10.598 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.932 -8.675 -12.234 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.140 -10.160 -13.140 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.639 -10.730 -10.360 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.544 -9.293 -10.793 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.860 -10.407 -12.348 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.617 -11.581 -12.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.428 -12.589 -11.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.001 -12.644 -10.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.206 -11.506 -10.211 1.00 0.00 H new ATOM 204 N VAL A 14 -0.724 -7.024 -10.903 1.00 0.00 N ATOM 205 CA VAL A 14 -0.693 -6.022 -9.845 1.00 0.00 C ATOM 206 C VAL A 14 -1.498 -6.478 -8.633 1.00 0.00 C ATOM 207 O VAL A 14 -2.467 -7.227 -8.763 1.00 0.00 O ATOM 208 CB VAL A 14 -1.246 -4.671 -10.335 1.00 0.00 C ATOM 209 CG1 VAL A 14 -0.463 -4.180 -11.543 1.00 0.00 C ATOM 210 CG2 VAL A 14 -2.727 -4.789 -10.662 1.00 0.00 C ATOM 0 H VAL A 14 -1.024 -6.669 -11.811 1.00 0.00 H new ATOM 0 HA VAL A 14 0.351 -5.897 -9.559 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.131 -3.939 -9.535 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.868 -3.224 -11.875 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.585 -4.055 -11.271 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.544 -4.908 -12.350 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.101 -3.825 -11.007 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.869 -5.534 -11.445 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.274 -5.092 -9.769 1.00 0.00 H new ATOM 220 N HIS A 15 -1.090 -6.022 -7.453 1.00 0.00 N ATOM 221 CA HIS A 15 -1.774 -6.382 -6.216 1.00 0.00 C ATOM 222 C HIS A 15 -1.642 -5.271 -5.178 1.00 0.00 C ATOM 223 O HIS A 15 -0.719 -4.458 -5.237 1.00 0.00 O ATOM 224 CB HIS A 15 -1.207 -7.688 -5.657 1.00 0.00 C ATOM 225 CG HIS A 15 -2.231 -8.544 -4.979 1.00 0.00 C ATOM 226 ND1 HIS A 15 -2.266 -8.739 -3.614 1.00 0.00 N ATOM 227 CD2 HIS A 15 -3.264 -9.257 -5.485 1.00 0.00 C ATOM 228 CE1 HIS A 15 -3.274 -9.536 -3.310 1.00 0.00 C ATOM 229 NE2 HIS A 15 -3.896 -9.865 -4.428 1.00 0.00 N ATOM 0 H HIS A 15 -0.289 -5.403 -7.327 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.831 -6.520 -6.442 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.753 -8.254 -6.470 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.413 -7.455 -4.948 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.540 -9.334 -6.526 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -3.544 -9.863 -2.317 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -4.713 -10.472 -4.495 1.00 0.00 H new ATOM 237 N THR A 16 -2.572 -5.241 -4.229 1.00 0.00 N ATOM 238 CA THR A 16 -2.561 -4.229 -3.180 1.00 0.00 C ATOM 239 C THR A 16 -2.330 -4.859 -1.811 1.00 0.00 C ATOM 240 O THR A 16 -3.172 -5.604 -1.309 1.00 0.00 O ATOM 241 CB THR A 16 -3.881 -3.436 -3.152 1.00 0.00 C ATOM 242 OG1 THR A 16 -4.673 -3.761 -4.299 1.00 0.00 O ATOM 243 CG2 THR A 16 -3.612 -1.939 -3.123 1.00 0.00 C ATOM 0 H THR A 16 -3.343 -5.906 -4.165 1.00 0.00 H new ATOM 0 HA THR A 16 -1.741 -3.547 -3.406 1.00 0.00 H new ATOM 0 HB THR A 16 -4.424 -3.710 -2.247 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.511 -3.254 -4.272 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.559 -1.399 -3.104 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.034 -1.690 -2.233 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.050 -1.653 -4.012 1.00 0.00 H new ATOM 251 N CYS A 17 -1.185 -4.555 -1.211 1.00 0.00 N ATOM 252 CA CYS A 17 -0.842 -5.090 0.101 1.00 0.00 C ATOM 253 C CYS A 17 -0.899 -3.999 1.166 1.00 0.00 C ATOM 254 O CYS A 17 -0.015 -3.146 1.244 1.00 0.00 O ATOM 255 CB CYS A 17 0.553 -5.716 0.072 1.00 0.00 C ATOM 256 SG CYS A 17 1.103 -6.383 1.675 1.00 0.00 S ATOM 0 H CYS A 17 -0.478 -3.940 -1.613 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.573 -5.859 0.353 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.564 -6.518 -0.666 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.269 -4.965 -0.262 1.00 0.00 H new ATOM 261 N ARG A 18 -1.946 -4.032 1.984 1.00 0.00 N ATOM 262 CA ARG A 18 -2.120 -3.046 3.044 1.00 0.00 C ATOM 263 C ARG A 18 -2.070 -3.709 4.417 1.00 0.00 C ATOM 264 O ARG A 18 -3.012 -4.389 4.823 1.00 0.00 O ATOM 265 CB ARG A 18 -3.448 -2.307 2.870 1.00 0.00 C ATOM 266 CG ARG A 18 -4.648 -3.232 2.748 1.00 0.00 C ATOM 267 CD ARG A 18 -5.873 -2.491 2.235 1.00 0.00 C ATOM 268 NE ARG A 18 -7.106 -3.232 2.485 1.00 0.00 N ATOM 269 CZ ARG A 18 -8.314 -2.772 2.182 1.00 0.00 C ATOM 270 NH1 ARG A 18 -8.451 -1.579 1.620 1.00 0.00 N ATOM 271 NH2 ARG A 18 -9.389 -3.506 2.440 1.00 0.00 N ATOM 0 H ARG A 18 -2.687 -4.731 1.933 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.302 -2.329 2.976 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.598 -1.641 3.720 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.391 -1.680 1.980 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.409 -4.053 2.072 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.869 -3.673 3.720 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.933 -1.514 2.715 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.767 -2.314 1.165 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.035 -4.154 2.916 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.627 -1.012 1.419 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.380 -1.228 1.388 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.288 -4.425 2.872 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.317 -3.152 2.207 1.00 0.00 H new ATOM 285 N ASN A 19 -0.965 -3.506 5.127 1.00 0.00 N ATOM 286 CA ASN A 19 -0.793 -4.085 6.455 1.00 0.00 C ATOM 287 C ASN A 19 0.382 -3.438 7.182 1.00 0.00 C ATOM 288 O ASN A 19 1.002 -2.505 6.672 1.00 0.00 O ATOM 289 CB ASN A 19 -0.573 -5.595 6.351 1.00 0.00 C ATOM 290 CG ASN A 19 -1.875 -6.372 6.372 1.00 0.00 C ATOM 291 OD1 ASN A 19 -2.117 -7.224 5.517 1.00 0.00 O ATOM 292 ND2 ASN A 19 -2.723 -6.079 7.352 1.00 0.00 N ATOM 0 H ASN A 19 -0.176 -2.945 4.806 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.701 -3.895 7.027 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.035 -5.818 5.430 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.057 -5.925 7.177 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.616 -6.568 7.417 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -2.481 -5.365 8.039 1.00 0.00 H new ATOM 299 N GLU A 20 0.682 -3.940 8.376 1.00 0.00 N ATOM 300 CA GLU A 20 1.782 -3.411 9.172 1.00 0.00 C ATOM 301 C GLU A 20 3.067 -3.347 8.352 1.00 0.00 C ATOM 302 O GLU A 20 3.929 -2.504 8.595 1.00 0.00 O ATOM 303 CB GLU A 20 2.001 -4.273 10.417 1.00 0.00 C ATOM 304 CG GLU A 20 1.049 -3.951 11.556 1.00 0.00 C ATOM 305 CD GLU A 20 1.547 -2.816 12.430 1.00 0.00 C ATOM 306 OE1 GLU A 20 2.757 -2.791 12.739 1.00 0.00 O ATOM 307 OE2 GLU A 20 0.727 -1.953 12.805 1.00 0.00 O ATOM 0 H GLU A 20 0.178 -4.712 8.813 1.00 0.00 H new ATOM 0 HA GLU A 20 1.518 -2.399 9.481 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.888 -5.323 10.146 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.026 -4.142 10.764 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.074 -3.688 11.146 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.907 -4.841 12.169 1.00 0.00 H new ATOM 314 N GLU A 21 3.186 -4.246 7.380 1.00 0.00 N ATOM 315 CA GLU A 21 4.366 -4.294 6.524 1.00 0.00 C ATOM 316 C GLU A 21 4.441 -3.058 5.631 1.00 0.00 C ATOM 317 O GLU A 21 3.694 -2.097 5.817 1.00 0.00 O ATOM 318 CB GLU A 21 4.349 -5.558 5.663 1.00 0.00 C ATOM 319 CG GLU A 21 4.070 -6.827 6.451 1.00 0.00 C ATOM 320 CD GLU A 21 2.604 -7.214 6.432 1.00 0.00 C ATOM 321 OE1 GLU A 21 2.062 -7.435 5.330 1.00 0.00 O ATOM 322 OE2 GLU A 21 1.999 -7.296 7.522 1.00 0.00 O ATOM 0 H GLU A 21 2.480 -4.951 7.166 1.00 0.00 H new ATOM 0 HA GLU A 21 5.247 -4.312 7.165 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.592 -5.449 4.887 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.310 -5.657 5.159 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.663 -7.644 6.039 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.392 -6.688 7.483 1.00 0.00 H new ATOM 329 N LYS A 22 5.348 -3.091 4.661 1.00 0.00 N ATOM 330 CA LYS A 22 5.522 -1.976 3.738 1.00 0.00 C ATOM 331 C LYS A 22 6.123 -2.450 2.419 1.00 0.00 C ATOM 332 O LYS A 22 5.587 -2.172 1.346 1.00 0.00 O ATOM 333 CB LYS A 22 6.418 -0.904 4.363 1.00 0.00 C ATOM 334 CG LYS A 22 5.694 -0.009 5.355 1.00 0.00 C ATOM 335 CD LYS A 22 6.553 1.175 5.767 1.00 0.00 C ATOM 336 CE LYS A 22 6.214 2.418 4.958 1.00 0.00 C ATOM 337 NZ LYS A 22 4.981 3.086 5.459 1.00 0.00 N ATOM 0 H LYS A 22 5.974 -3.878 4.494 1.00 0.00 H new ATOM 0 HA LYS A 22 4.540 -1.548 3.536 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.254 -1.389 4.867 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.839 -0.287 3.570 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.765 0.351 4.912 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.423 -0.588 6.238 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.408 1.379 6.828 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.606 0.927 5.631 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.049 3.118 5.000 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.079 2.145 3.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.784 3.928 4.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.179 2.427 5.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.118 3.370 6.450 1.00 0.00 H new ATOM 351 N ILE A 23 7.238 -3.168 2.506 1.00 0.00 N ATOM 352 CA ILE A 23 7.909 -3.683 1.320 1.00 0.00 C ATOM 353 C ILE A 23 7.332 -5.031 0.903 1.00 0.00 C ATOM 354 O ILE A 23 6.600 -5.667 1.662 1.00 0.00 O ATOM 355 CB ILE A 23 9.424 -3.835 1.551 1.00 0.00 C ATOM 356 CG1 ILE A 23 9.705 -5.025 2.471 1.00 0.00 C ATOM 357 CG2 ILE A 23 10.001 -2.556 2.140 1.00 0.00 C ATOM 358 CD1 ILE A 23 10.373 -6.187 1.770 1.00 0.00 C ATOM 0 H ILE A 23 7.695 -3.406 3.386 1.00 0.00 H new ATOM 0 HA ILE A 23 7.742 -2.957 0.524 1.00 0.00 H new ATOM 0 HB ILE A 23 9.906 -4.020 0.591 1.00 0.00 H new ATOM 0 HG12 ILE A 23 10.338 -4.695 3.295 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.766 -5.366 2.908 1.00 0.00 H new ATOM 0 HG21 ILE A 23 11.073 -2.679 2.298 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.828 -1.728 1.452 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.516 -2.343 3.093 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.542 -6.994 2.483 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.731 -6.543 0.964 1.00 0.00 H new ATOM 0 HD13 ILE A 23 11.328 -5.862 1.357 1.00 0.00 H new ATOM 370 N CYS A 24 7.668 -5.464 -0.308 1.00 0.00 N ATOM 371 CA CYS A 24 7.185 -6.738 -0.826 1.00 0.00 C ATOM 372 C CYS A 24 8.326 -7.541 -1.444 1.00 0.00 C ATOM 373 O CYS A 24 9.021 -7.064 -2.341 1.00 0.00 O ATOM 374 CB CYS A 24 6.088 -6.506 -1.868 1.00 0.00 C ATOM 375 SG CYS A 24 6.452 -5.163 -3.044 1.00 0.00 S ATOM 0 H CYS A 24 8.273 -4.951 -0.949 1.00 0.00 H new ATOM 0 HA CYS A 24 6.772 -7.307 0.007 1.00 0.00 H new ATOM 0 HB2 CYS A 24 5.930 -7.429 -2.425 1.00 0.00 H new ATOM 0 HB3 CYS A 24 5.154 -6.280 -1.353 1.00 0.00 H new ATOM 380 N VAL A 25 8.512 -8.764 -0.957 1.00 0.00 N ATOM 381 CA VAL A 25 9.568 -9.635 -1.461 1.00 0.00 C ATOM 382 C VAL A 25 9.014 -11.003 -1.845 1.00 0.00 C ATOM 383 O VAL A 25 8.074 -11.501 -1.226 1.00 0.00 O ATOM 384 CB VAL A 25 10.688 -9.820 -0.421 1.00 0.00 C ATOM 385 CG1 VAL A 25 10.120 -10.349 0.887 1.00 0.00 C ATOM 386 CG2 VAL A 25 11.766 -10.749 -0.959 1.00 0.00 C ATOM 0 H VAL A 25 7.946 -9.174 -0.214 1.00 0.00 H new ATOM 0 HA VAL A 25 9.982 -9.152 -2.346 1.00 0.00 H new ATOM 0 HB VAL A 25 11.143 -8.849 -0.225 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.926 -10.473 1.610 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.388 -9.642 1.278 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.638 -11.311 0.712 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.550 -10.869 -0.211 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.329 -11.721 -1.185 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.193 -10.323 -1.867 1.00 0.00 H new ATOM 396 N LYS A 26 9.605 -11.607 -2.870 1.00 0.00 N ATOM 397 CA LYS A 26 9.173 -12.920 -3.337 1.00 0.00 C ATOM 398 C LYS A 26 10.356 -13.879 -3.434 1.00 0.00 C ATOM 399 O LYS A 26 11.435 -13.504 -3.892 1.00 0.00 O ATOM 400 CB LYS A 26 8.489 -12.799 -4.701 1.00 0.00 C ATOM 401 CG LYS A 26 7.961 -14.119 -5.235 1.00 0.00 C ATOM 402 CD LYS A 26 7.997 -14.161 -6.753 1.00 0.00 C ATOM 403 CE LYS A 26 9.425 -14.193 -7.276 1.00 0.00 C ATOM 404 NZ LYS A 26 9.527 -14.932 -8.565 1.00 0.00 N ATOM 0 H LYS A 26 10.385 -11.209 -3.394 1.00 0.00 H new ATOM 0 HA LYS A 26 8.462 -13.319 -2.614 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.663 -12.092 -4.623 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.197 -12.384 -5.418 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.556 -14.939 -4.833 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.938 -14.269 -4.890 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.459 -15.041 -7.107 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.481 -13.289 -7.155 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.785 -13.173 -7.413 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.072 -14.663 -6.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.426 -15.454 -8.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.735 -15.601 -8.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.492 -14.257 -9.356 1.00 0.00 H new ATOM 418 N ARG A 27 10.144 -15.117 -3.000 1.00 0.00 N ATOM 419 CA ARG A 27 11.193 -16.129 -3.038 1.00 0.00 C ATOM 420 C ARG A 27 10.702 -17.395 -3.735 1.00 0.00 C ATOM 421 O ARG A 27 9.623 -17.905 -3.430 1.00 0.00 O ATOM 422 CB ARG A 27 11.660 -16.463 -1.620 1.00 0.00 C ATOM 423 CG ARG A 27 11.822 -15.243 -0.729 1.00 0.00 C ATOM 424 CD ARG A 27 12.500 -15.598 0.585 1.00 0.00 C ATOM 425 NE ARG A 27 11.617 -16.356 1.468 1.00 0.00 N ATOM 426 CZ ARG A 27 12.018 -16.914 2.605 1.00 0.00 C ATOM 427 NH1 ARG A 27 13.281 -16.800 2.995 1.00 0.00 N ATOM 428 NH2 ARG A 27 11.156 -17.589 3.355 1.00 0.00 N ATOM 0 H ARG A 27 9.256 -15.443 -2.618 1.00 0.00 H new ATOM 0 HA ARG A 27 12.032 -15.725 -3.604 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.943 -17.145 -1.162 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.612 -16.991 -1.675 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.409 -14.486 -1.250 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.844 -14.805 -0.528 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.399 -16.181 0.384 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.818 -14.685 1.087 1.00 0.00 H new ATOM 0 HE ARG A 27 10.639 -16.463 1.197 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.947 -16.283 2.421 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.586 -17.230 3.868 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.184 -17.680 3.059 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.465 -18.017 4.228 1.00 0.00 H new ATOM 442 N PHE A 28 11.500 -17.896 -4.672 1.00 0.00 N ATOM 443 CA PHE A 28 11.146 -19.101 -5.413 1.00 0.00 C ATOM 444 C PHE A 28 12.351 -20.026 -5.554 1.00 0.00 C ATOM 445 O PHE A 28 13.496 -19.603 -5.389 1.00 0.00 O ATOM 446 CB PHE A 28 10.606 -18.734 -6.796 1.00 0.00 C ATOM 447 CG PHE A 28 11.645 -18.149 -7.710 1.00 0.00 C ATOM 448 CD1 PHE A 28 12.405 -18.968 -8.530 1.00 0.00 C ATOM 449 CD2 PHE A 28 11.863 -16.782 -7.747 1.00 0.00 C ATOM 450 CE1 PHE A 28 13.362 -18.433 -9.372 1.00 0.00 C ATOM 451 CE2 PHE A 28 12.818 -16.241 -8.587 1.00 0.00 C ATOM 452 CZ PHE A 28 13.569 -17.068 -9.400 1.00 0.00 C ATOM 0 H PHE A 28 12.396 -17.486 -4.936 1.00 0.00 H new ATOM 0 HA PHE A 28 10.370 -19.626 -4.855 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.185 -19.625 -7.261 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.791 -18.019 -6.681 1.00 0.00 H new ATOM 0 HD1 PHE A 28 12.248 -20.036 -8.511 1.00 0.00 H new ATOM 0 HD2 PHE A 28 11.280 -16.131 -7.112 1.00 0.00 H new ATOM 0 HE1 PHE A 28 13.947 -19.082 -10.007 1.00 0.00 H new ATOM 0 HE2 PHE A 28 12.977 -15.173 -8.608 1.00 0.00 H new ATOM 0 HZ PHE A 28 14.317 -16.648 -10.056 1.00 0.00 H new ATOM 462 N TYR A 29 12.086 -21.291 -5.859 1.00 0.00 N ATOM 463 CA TYR A 29 13.147 -22.278 -6.019 1.00 0.00 C ATOM 464 C TYR A 29 12.915 -23.131 -7.263 1.00 0.00 C ATOM 465 O TYR A 29 11.800 -23.586 -7.518 1.00 0.00 O ATOM 466 CB TYR A 29 13.231 -23.174 -4.782 1.00 0.00 C ATOM 467 CG TYR A 29 14.620 -23.704 -4.511 1.00 0.00 C ATOM 468 CD1 TYR A 29 15.174 -24.699 -5.307 1.00 0.00 C ATOM 469 CD2 TYR A 29 15.381 -23.208 -3.459 1.00 0.00 C ATOM 470 CE1 TYR A 29 16.443 -25.186 -5.062 1.00 0.00 C ATOM 471 CE2 TYR A 29 16.652 -23.688 -3.207 1.00 0.00 C ATOM 472 CZ TYR A 29 17.178 -24.678 -4.011 1.00 0.00 C ATOM 473 OH TYR A 29 18.443 -25.160 -3.765 1.00 0.00 O ATOM 0 H TYR A 29 11.145 -21.657 -6.001 1.00 0.00 H new ATOM 0 HA TYR A 29 14.090 -21.744 -6.137 1.00 0.00 H new ATOM 0 HB2 TYR A 29 12.890 -22.612 -3.913 1.00 0.00 H new ATOM 0 HB3 TYR A 29 12.548 -24.015 -4.906 1.00 0.00 H new ATOM 0 HD1 TYR A 29 14.602 -25.099 -6.132 1.00 0.00 H new ATOM 0 HD2 TYR A 29 14.972 -22.434 -2.827 1.00 0.00 H new ATOM 0 HE1 TYR A 29 16.858 -25.961 -5.690 1.00 0.00 H new ATOM 0 HE2 TYR A 29 17.230 -23.291 -2.386 1.00 0.00 H new ATOM 0 HH TYR A 29 18.757 -25.667 -4.543 1.00 0.00 H new ATOM 483 N ASP A 30 13.977 -23.342 -8.034 1.00 0.00 N ATOM 484 CA ASP A 30 13.891 -24.140 -9.251 1.00 0.00 C ATOM 485 C ASP A 30 15.228 -24.807 -9.558 1.00 0.00 C ATOM 486 O ASP A 30 16.198 -24.141 -9.920 1.00 0.00 O ATOM 487 CB ASP A 30 13.459 -23.267 -10.430 1.00 0.00 C ATOM 488 CG ASP A 30 14.423 -22.126 -10.689 1.00 0.00 C ATOM 489 OD1 ASP A 30 14.604 -21.285 -9.784 1.00 0.00 O ATOM 490 OD2 ASP A 30 14.998 -22.075 -11.796 1.00 0.00 O ATOM 0 H ASP A 30 14.907 -22.971 -7.837 1.00 0.00 H new ATOM 0 HA ASP A 30 13.144 -24.918 -9.094 1.00 0.00 H new ATOM 0 HB2 ASP A 30 13.381 -23.883 -11.326 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.466 -22.863 -10.234 1.00 0.00 H new ATOM 495 N LYS A 31 15.273 -26.127 -9.410 1.00 0.00 N ATOM 496 CA LYS A 31 16.491 -26.886 -9.672 1.00 0.00 C ATOM 497 C LYS A 31 16.231 -28.000 -10.680 1.00 0.00 C ATOM 498 O LYS A 31 17.000 -28.956 -10.774 1.00 0.00 O ATOM 499 CB LYS A 31 17.036 -27.478 -8.370 1.00 0.00 C ATOM 500 CG LYS A 31 18.271 -26.764 -7.848 1.00 0.00 C ATOM 501 CD LYS A 31 19.464 -26.969 -8.767 1.00 0.00 C ATOM 502 CE LYS A 31 20.727 -26.350 -8.187 1.00 0.00 C ATOM 503 NZ LYS A 31 20.636 -24.865 -8.119 1.00 0.00 N ATOM 0 H LYS A 31 14.480 -26.694 -9.110 1.00 0.00 H new ATOM 0 HA LYS A 31 17.231 -26.205 -10.093 1.00 0.00 H new ATOM 0 HB2 LYS A 31 16.256 -27.441 -7.609 1.00 0.00 H new ATOM 0 HB3 LYS A 31 17.275 -28.529 -8.531 1.00 0.00 H new ATOM 0 HG2 LYS A 31 18.063 -25.698 -7.752 1.00 0.00 H new ATOM 0 HG3 LYS A 31 18.511 -27.133 -6.851 1.00 0.00 H new ATOM 0 HD2 LYS A 31 19.621 -28.035 -8.929 1.00 0.00 H new ATOM 0 HD3 LYS A 31 19.255 -26.527 -9.741 1.00 0.00 H new ATOM 0 HE2 LYS A 31 20.901 -26.749 -7.188 1.00 0.00 H new ATOM 0 HE3 LYS A 31 21.584 -26.634 -8.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 21.546 -24.476 -7.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 20.411 -24.487 -9.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 19.888 -24.593 -7.449 1.00 0.00 H new ATOM 517 N ASN A 32 15.144 -27.869 -11.434 1.00 0.00 N ATOM 518 CA ASN A 32 14.785 -28.865 -12.436 1.00 0.00 C ATOM 519 C ASN A 32 13.485 -28.485 -13.139 1.00 0.00 C ATOM 520 O ASN A 32 12.651 -27.774 -12.579 1.00 0.00 O ATOM 521 CB ASN A 32 14.643 -30.244 -11.788 1.00 0.00 C ATOM 522 CG ASN A 32 15.392 -31.321 -12.549 1.00 0.00 C ATOM 523 OD1 ASN A 32 14.800 -32.297 -13.009 1.00 0.00 O ATOM 524 ND2 ASN A 32 16.701 -31.147 -12.686 1.00 0.00 N ATOM 0 H ASN A 32 14.497 -27.083 -11.370 1.00 0.00 H new ATOM 0 HA ASN A 32 15.582 -28.901 -13.178 1.00 0.00 H new ATOM 0 HB2 ASN A 32 15.015 -30.201 -10.764 1.00 0.00 H new ATOM 0 HB3 ASN A 32 13.587 -30.509 -11.733 1.00 0.00 H new ATOM 0 HD21 ASN A 32 17.257 -31.838 -13.189 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.150 -30.322 -12.288 1.00 0.00 H new ATOM 531 N GLN A 33 13.321 -28.965 -14.368 1.00 0.00 N ATOM 532 CA GLN A 33 12.122 -28.676 -15.146 1.00 0.00 C ATOM 533 C GLN A 33 10.876 -29.208 -14.446 1.00 0.00 C ATOM 534 O GLN A 33 9.757 -28.786 -14.742 1.00 0.00 O ATOM 535 CB GLN A 33 12.237 -29.286 -16.544 1.00 0.00 C ATOM 536 CG GLN A 33 12.733 -30.723 -16.541 1.00 0.00 C ATOM 537 CD GLN A 33 11.828 -31.655 -17.322 1.00 0.00 C ATOM 538 OE1 GLN A 33 10.631 -31.403 -17.462 1.00 0.00 O ATOM 539 NE2 GLN A 33 12.396 -32.740 -17.835 1.00 0.00 N ATOM 0 H GLN A 33 14.002 -29.555 -14.846 1.00 0.00 H new ATOM 0 HA GLN A 33 12.030 -27.594 -15.236 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.262 -29.248 -17.029 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.915 -28.677 -17.142 1.00 0.00 H new ATOM 0 HG2 GLN A 33 13.737 -30.758 -16.965 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.809 -31.075 -15.512 1.00 0.00 H new ATOM 0 HE21 GLN A 33 13.392 -32.909 -17.694 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.836 -33.404 -18.370 1.00 0.00 H new ATOM 548 N LEU A 34 11.077 -30.136 -13.517 1.00 0.00 N ATOM 549 CA LEU A 34 9.969 -30.727 -12.775 1.00 0.00 C ATOM 550 C LEU A 34 9.771 -30.020 -11.438 1.00 0.00 C ATOM 551 O LEU A 34 8.842 -30.328 -10.692 1.00 0.00 O ATOM 552 CB LEU A 34 10.222 -32.218 -12.544 1.00 0.00 C ATOM 553 CG LEU A 34 10.489 -33.056 -13.795 1.00 0.00 C ATOM 554 CD1 LEU A 34 9.689 -32.524 -14.974 1.00 0.00 C ATOM 555 CD2 LEU A 34 11.976 -33.069 -14.120 1.00 0.00 C ATOM 0 H LEU A 34 11.996 -30.495 -13.260 1.00 0.00 H new ATOM 0 HA LEU A 34 9.062 -30.606 -13.367 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.075 -32.322 -11.873 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.358 -32.637 -12.028 1.00 0.00 H new ATOM 0 HG LEU A 34 10.171 -34.080 -13.599 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.892 -33.133 -15.855 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.625 -32.566 -14.741 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.976 -31.491 -15.172 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.148 -33.670 -15.013 1.00 0.00 H new ATOM 0 HD22 LEU A 34 12.319 -32.050 -14.297 1.00 0.00 H new ATOM 0 HD23 LEU A 34 12.528 -33.497 -13.283 1.00 0.00 H new ATOM 567 N GLY A 35 10.651 -29.069 -11.141 1.00 0.00 N ATOM 568 CA GLY A 35 10.555 -28.331 -9.895 1.00 0.00 C ATOM 569 C GLY A 35 10.549 -26.830 -10.109 1.00 0.00 C ATOM 570 O GLY A 35 11.406 -26.293 -10.810 1.00 0.00 O ATOM 0 H GLY A 35 11.429 -28.796 -11.741 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.645 -28.624 -9.372 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.393 -28.600 -9.252 1.00 0.00 H new ATOM 574 N TRP A 36 9.579 -26.153 -9.505 1.00 0.00 N ATOM 575 CA TRP A 36 9.465 -24.704 -9.634 1.00 0.00 C ATOM 576 C TRP A 36 8.368 -24.162 -8.725 1.00 0.00 C ATOM 577 O TRP A 36 7.183 -24.248 -9.047 1.00 0.00 O ATOM 578 CB TRP A 36 9.175 -24.323 -11.087 1.00 0.00 C ATOM 579 CG TRP A 36 9.017 -22.847 -11.293 1.00 0.00 C ATOM 580 CD1 TRP A 36 7.928 -22.086 -10.973 1.00 0.00 C ATOM 581 CD2 TRP A 36 9.977 -21.954 -11.867 1.00 0.00 C ATOM 582 NE1 TRP A 36 8.155 -20.774 -11.313 1.00 0.00 N ATOM 583 CE2 TRP A 36 9.405 -20.667 -11.863 1.00 0.00 C ATOM 584 CE3 TRP A 36 11.266 -22.115 -12.382 1.00 0.00 C ATOM 585 CZ2 TRP A 36 10.077 -19.551 -12.355 1.00 0.00 C ATOM 586 CZ3 TRP A 36 11.932 -21.008 -12.871 1.00 0.00 C ATOM 587 CH2 TRP A 36 11.338 -19.739 -12.854 1.00 0.00 C ATOM 0 H TRP A 36 8.861 -26.583 -8.922 1.00 0.00 H new ATOM 0 HA TRP A 36 10.414 -24.261 -9.331 1.00 0.00 H new ATOM 0 HB2 TRP A 36 9.985 -24.686 -11.719 1.00 0.00 H new ATOM 0 HB3 TRP A 36 8.266 -24.828 -11.413 1.00 0.00 H new ATOM 0 HD1 TRP A 36 7.022 -22.461 -10.520 1.00 0.00 H new ATOM 0 HE1 TRP A 36 7.499 -20.005 -11.178 1.00 0.00 H new ATOM 0 HE3 TRP A 36 11.734 -23.088 -12.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 9.620 -18.573 -12.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 12.928 -21.123 -13.273 1.00 0.00 H new ATOM 0 HH2 TRP A 36 11.886 -18.893 -13.242 1.00 0.00 H new ATOM 598 N ARG A 37 8.770 -23.603 -7.588 1.00 0.00 N ATOM 599 CA ARG A 37 7.820 -23.048 -6.632 1.00 0.00 C ATOM 600 C ARG A 37 8.171 -21.601 -6.295 1.00 0.00 C ATOM 601 O ARG A 37 9.320 -21.286 -5.987 1.00 0.00 O ATOM 602 CB ARG A 37 7.799 -23.889 -5.354 1.00 0.00 C ATOM 603 CG ARG A 37 7.526 -25.364 -5.601 1.00 0.00 C ATOM 604 CD ARG A 37 7.488 -26.149 -4.299 1.00 0.00 C ATOM 605 NE ARG A 37 6.970 -27.501 -4.490 1.00 0.00 N ATOM 606 CZ ARG A 37 6.727 -28.342 -3.491 1.00 0.00 C ATOM 607 NH1 ARG A 37 6.954 -27.973 -2.238 1.00 0.00 N ATOM 608 NH2 ARG A 37 6.255 -29.556 -3.745 1.00 0.00 N ATOM 0 H ARG A 37 9.747 -23.523 -7.307 1.00 0.00 H new ATOM 0 HA ARG A 37 6.830 -23.068 -7.088 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.757 -23.786 -4.845 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.037 -23.495 -4.682 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.576 -25.477 -6.123 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.298 -25.774 -6.252 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.492 -26.202 -3.878 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.866 -25.621 -3.576 1.00 0.00 H new ATOM 0 HE ARG A 37 6.785 -27.817 -5.442 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.316 -27.041 -2.039 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.766 -28.621 -1.473 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.079 -29.844 -4.708 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.069 -30.202 -2.978 1.00 0.00 H new ATOM 622 N ALA A 38 7.172 -20.726 -6.356 1.00 0.00 N ATOM 623 CA ALA A 38 7.375 -19.314 -6.056 1.00 0.00 C ATOM 624 C ALA A 38 6.311 -18.800 -5.093 1.00 0.00 C ATOM 625 O ALA A 38 5.133 -19.133 -5.219 1.00 0.00 O ATOM 626 CB ALA A 38 7.368 -18.496 -7.339 1.00 0.00 C ATOM 0 H ALA A 38 6.215 -20.970 -6.610 1.00 0.00 H new ATOM 0 HA ALA A 38 8.347 -19.206 -5.574 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.521 -17.443 -7.100 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.169 -18.839 -7.994 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.409 -18.618 -7.843 1.00 0.00 H new ATOM 632 N GLN A 39 6.734 -17.986 -4.131 1.00 0.00 N ATOM 633 CA GLN A 39 5.816 -17.427 -3.145 1.00 0.00 C ATOM 634 C GLN A 39 6.229 -16.010 -2.759 1.00 0.00 C ATOM 635 O GLN A 39 7.414 -15.723 -2.591 1.00 0.00 O ATOM 636 CB GLN A 39 5.770 -18.314 -1.900 1.00 0.00 C ATOM 637 CG GLN A 39 4.436 -18.270 -1.171 1.00 0.00 C ATOM 638 CD GLN A 39 3.347 -19.031 -1.901 1.00 0.00 C ATOM 639 OE1 GLN A 39 2.410 -18.437 -2.435 1.00 0.00 O ATOM 640 NE2 GLN A 39 3.464 -20.353 -1.927 1.00 0.00 N ATOM 0 H GLN A 39 7.706 -17.699 -4.013 1.00 0.00 H new ATOM 0 HA GLN A 39 4.822 -17.388 -3.592 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.983 -19.343 -2.189 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.560 -18.006 -1.215 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.558 -18.688 -0.172 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.128 -17.232 -1.047 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.257 -20.804 -1.471 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.761 -20.918 -2.403 1.00 0.00 H new ATOM 649 N ARG A 40 5.244 -15.129 -2.621 1.00 0.00 N ATOM 650 CA ARG A 40 5.505 -13.742 -2.256 1.00 0.00 C ATOM 651 C ARG A 40 5.096 -13.474 -0.811 1.00 0.00 C ATOM 652 O ARG A 40 4.399 -14.277 -0.193 1.00 0.00 O ATOM 653 CB ARG A 40 4.752 -12.796 -3.194 1.00 0.00 C ATOM 654 CG ARG A 40 5.307 -11.381 -3.204 1.00 0.00 C ATOM 655 CD ARG A 40 4.786 -10.587 -4.392 1.00 0.00 C ATOM 656 NE ARG A 40 5.828 -10.341 -5.385 1.00 0.00 N ATOM 657 CZ ARG A 40 6.067 -11.146 -6.415 1.00 0.00 C ATOM 658 NH1 ARG A 40 5.342 -12.242 -6.585 1.00 0.00 N ATOM 659 NH2 ARG A 40 7.033 -10.854 -7.276 1.00 0.00 N ATOM 0 H ARG A 40 4.258 -15.351 -2.756 1.00 0.00 H new ATOM 0 HA ARG A 40 6.576 -13.562 -2.352 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.786 -13.198 -4.207 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.703 -12.764 -2.899 1.00 0.00 H new ATOM 0 HG2 ARG A 40 5.033 -10.875 -2.278 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.396 -11.416 -3.238 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.963 -11.129 -4.857 1.00 0.00 H new ATOM 0 HD3 ARG A 40 4.385 -9.635 -4.044 1.00 0.00 H new ATOM 0 HE ARG A 40 6.404 -9.505 -5.282 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.599 -12.469 -5.925 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.527 -12.858 -7.376 1.00 0.00 H new ATOM 0 HH21 ARG A 40 7.593 -10.011 -7.148 1.00 0.00 H new ATOM 0 HH22 ARG A 40 7.216 -11.472 -8.066 1.00 0.00 H new ATOM 673 N GLY A 41 5.536 -12.338 -0.278 1.00 0.00 N ATOM 674 CA GLY A 41 5.207 -11.984 1.091 1.00 0.00 C ATOM 675 C GLY A 41 5.546 -10.543 1.414 1.00 0.00 C ATOM 676 O GLY A 41 6.519 -9.994 0.896 1.00 0.00 O ATOM 0 H GLY A 41 6.114 -11.657 -0.770 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.143 -12.151 1.261 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.745 -12.642 1.773 1.00 0.00 H new ATOM 680 N CYS A 42 4.742 -9.926 2.273 1.00 0.00 N ATOM 681 CA CYS A 42 4.959 -8.538 2.664 1.00 0.00 C ATOM 682 C CYS A 42 5.776 -8.457 3.951 1.00 0.00 C ATOM 683 O CYS A 42 5.656 -9.312 4.829 1.00 0.00 O ATOM 684 CB CYS A 42 3.620 -7.823 2.851 1.00 0.00 C ATOM 685 SG CYS A 42 2.754 -7.446 1.293 1.00 0.00 S ATOM 0 H CYS A 42 3.933 -10.366 2.712 1.00 0.00 H new ATOM 0 HA CYS A 42 5.517 -8.046 1.868 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.973 -8.442 3.473 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.790 -6.893 3.394 1.00 0.00 H new ATOM 690 N ALA A 43 6.605 -7.424 4.055 1.00 0.00 N ATOM 691 CA ALA A 43 7.439 -7.230 5.235 1.00 0.00 C ATOM 692 C ALA A 43 7.893 -5.779 5.353 1.00 0.00 C ATOM 693 O ALA A 43 7.400 -4.903 4.642 1.00 0.00 O ATOM 694 CB ALA A 43 8.642 -8.159 5.189 1.00 0.00 C ATOM 0 H ALA A 43 6.717 -6.709 3.337 1.00 0.00 H new ATOM 0 HA ALA A 43 6.842 -7.470 6.115 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.256 -8.003 6.076 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.302 -9.194 5.160 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.232 -7.946 4.298 1.00 0.00 H new ATOM 700 N VAL A 44 8.835 -5.530 6.257 1.00 0.00 N ATOM 701 CA VAL A 44 9.356 -4.185 6.469 1.00 0.00 C ATOM 702 C VAL A 44 10.878 -4.166 6.386 1.00 0.00 C ATOM 703 O VAL A 44 11.509 -3.133 6.610 1.00 0.00 O ATOM 704 CB VAL A 44 8.920 -3.623 7.835 1.00 0.00 C ATOM 705 CG1 VAL A 44 7.489 -3.112 7.771 1.00 0.00 C ATOM 706 CG2 VAL A 44 9.069 -4.681 8.918 1.00 0.00 C ATOM 0 H VAL A 44 9.253 -6.243 6.855 1.00 0.00 H new ATOM 0 HA VAL A 44 8.944 -3.558 5.678 1.00 0.00 H new ATOM 0 HB VAL A 44 9.569 -2.784 8.087 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.199 -2.719 8.745 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.418 -2.321 7.025 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.823 -3.930 7.497 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.757 -4.267 9.877 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.446 -5.542 8.674 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.111 -4.994 8.980 1.00 0.00 H new ATOM 716 N SER A 45 11.462 -5.315 6.060 1.00 0.00 N ATOM 717 CA SER A 45 12.912 -5.431 5.950 1.00 0.00 C ATOM 718 C SER A 45 13.295 -6.537 4.972 1.00 0.00 C ATOM 719 O SER A 45 12.896 -7.690 5.133 1.00 0.00 O ATOM 720 CB SER A 45 13.527 -5.712 7.322 1.00 0.00 C ATOM 721 OG SER A 45 12.862 -6.782 7.970 1.00 0.00 O ATOM 0 H SER A 45 10.954 -6.178 5.868 1.00 0.00 H new ATOM 0 HA SER A 45 13.301 -4.485 5.572 1.00 0.00 H new ATOM 0 HB2 SER A 45 14.584 -5.953 7.208 1.00 0.00 H new ATOM 0 HB3 SER A 45 13.469 -4.816 7.940 1.00 0.00 H new ATOM 0 HG SER A 45 12.667 -7.488 7.319 1.00 0.00 H new ATOM 727 N CYS A 46 14.072 -6.176 3.956 1.00 0.00 N ATOM 728 CA CYS A 46 14.511 -7.135 2.950 1.00 0.00 C ATOM 729 C CYS A 46 15.124 -8.369 3.605 1.00 0.00 C ATOM 730 O CYS A 46 16.219 -8.325 4.166 1.00 0.00 O ATOM 731 CB CYS A 46 15.526 -6.488 2.006 1.00 0.00 C ATOM 732 SG CYS A 46 14.777 -5.625 0.587 1.00 0.00 S ATOM 0 H CYS A 46 14.411 -5.225 3.808 1.00 0.00 H new ATOM 0 HA CYS A 46 13.638 -7.446 2.376 1.00 0.00 H new ATOM 0 HB2 CYS A 46 16.131 -5.779 2.571 1.00 0.00 H new ATOM 0 HB3 CYS A 46 16.202 -7.258 1.634 1.00 0.00 H new ATOM 737 N PRO A 47 14.403 -9.498 3.534 1.00 0.00 N ATOM 738 CA PRO A 47 14.857 -10.765 4.114 1.00 0.00 C ATOM 739 C PRO A 47 16.041 -11.358 3.358 1.00 0.00 C ATOM 740 O PRO A 47 16.452 -10.838 2.320 1.00 0.00 O ATOM 741 CB PRO A 47 13.631 -11.673 3.984 1.00 0.00 C ATOM 742 CG PRO A 47 12.861 -11.109 2.841 1.00 0.00 C ATOM 743 CD PRO A 47 13.089 -9.623 2.880 1.00 0.00 C ATOM 0 HA PRO A 47 15.208 -10.642 5.139 1.00 0.00 H new ATOM 0 HB2 PRO A 47 13.922 -12.706 3.794 1.00 0.00 H new ATOM 0 HB3 PRO A 47 13.039 -11.672 4.899 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.201 -11.531 1.895 1.00 0.00 H new ATOM 0 HG3 PRO A 47 11.800 -11.343 2.932 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.095 -9.191 1.879 1.00 0.00 H new ATOM 0 HD3 PRO A 47 12.309 -9.111 3.444 1.00 0.00 H new ATOM 751 N LYS A 48 16.585 -12.450 3.883 1.00 0.00 N ATOM 752 CA LYS A 48 17.722 -13.116 3.257 1.00 0.00 C ATOM 753 C LYS A 48 17.367 -14.547 2.868 1.00 0.00 C ATOM 754 O LYS A 48 16.330 -15.072 3.273 1.00 0.00 O ATOM 755 CB LYS A 48 18.923 -13.117 4.205 1.00 0.00 C ATOM 756 CG LYS A 48 19.878 -11.957 3.979 1.00 0.00 C ATOM 757 CD LYS A 48 19.148 -10.625 3.989 1.00 0.00 C ATOM 758 CE LYS A 48 19.974 -9.542 4.666 1.00 0.00 C ATOM 759 NZ LYS A 48 20.220 -9.848 6.102 1.00 0.00 N ATOM 0 H LYS A 48 16.257 -12.893 4.741 1.00 0.00 H new ATOM 0 HA LYS A 48 17.981 -12.566 2.352 1.00 0.00 H new ATOM 0 HB2 LYS A 48 18.563 -13.085 5.233 1.00 0.00 H new ATOM 0 HB3 LYS A 48 19.468 -14.054 4.087 1.00 0.00 H new ATOM 0 HG2 LYS A 48 20.644 -11.959 4.754 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.389 -12.086 3.025 1.00 0.00 H new ATOM 0 HD2 LYS A 48 18.922 -10.325 2.966 1.00 0.00 H new ATOM 0 HD3 LYS A 48 18.195 -10.735 4.507 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.928 -9.436 4.149 1.00 0.00 H new ATOM 0 HE3 LYS A 48 19.458 -8.586 4.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 20.340 -8.960 6.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.410 -10.374 6.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 21.081 -10.424 6.192 1.00 0.00 H new ATOM 773 N ALA A 49 18.235 -15.174 2.081 1.00 0.00 N ATOM 774 CA ALA A 49 18.014 -16.546 1.640 1.00 0.00 C ATOM 775 C ALA A 49 19.327 -17.213 1.244 1.00 0.00 C ATOM 776 O ALA A 49 20.394 -16.605 1.326 1.00 0.00 O ATOM 777 CB ALA A 49 17.034 -16.575 0.477 1.00 0.00 C ATOM 0 H ALA A 49 19.098 -14.754 1.736 1.00 0.00 H new ATOM 0 HA ALA A 49 17.589 -17.105 2.473 1.00 0.00 H new ATOM 0 HB1 ALA A 49 16.878 -17.606 0.158 1.00 0.00 H new ATOM 0 HB2 ALA A 49 16.083 -16.145 0.792 1.00 0.00 H new ATOM 0 HB3 ALA A 49 17.437 -15.995 -0.353 1.00 0.00 H new ATOM 783 N LYS A 50 19.242 -18.468 0.816 1.00 0.00 N ATOM 784 CA LYS A 50 20.422 -19.220 0.407 1.00 0.00 C ATOM 785 C LYS A 50 20.842 -18.844 -1.010 1.00 0.00 C ATOM 786 O LYS A 50 20.062 -18.298 -1.791 1.00 0.00 O ATOM 787 CB LYS A 50 20.149 -20.723 0.488 1.00 0.00 C ATOM 788 CG LYS A 50 20.437 -21.322 1.854 1.00 0.00 C ATOM 789 CD LYS A 50 21.657 -22.227 1.820 1.00 0.00 C ATOM 790 CE LYS A 50 21.746 -23.089 3.070 1.00 0.00 C ATOM 791 NZ LYS A 50 21.335 -24.495 2.804 1.00 0.00 N ATOM 0 H LYS A 50 18.367 -18.986 0.743 1.00 0.00 H new ATOM 0 HA LYS A 50 21.236 -18.969 1.087 1.00 0.00 H new ATOM 0 HB2 LYS A 50 19.106 -20.908 0.232 1.00 0.00 H new ATOM 0 HB3 LYS A 50 20.756 -21.235 -0.259 1.00 0.00 H new ATOM 0 HG2 LYS A 50 20.596 -20.522 2.577 1.00 0.00 H new ATOM 0 HG3 LYS A 50 19.571 -21.890 2.193 1.00 0.00 H new ATOM 0 HD2 LYS A 50 21.613 -22.866 0.938 1.00 0.00 H new ATOM 0 HD3 LYS A 50 22.559 -21.621 1.730 1.00 0.00 H new ATOM 0 HE2 LYS A 50 22.768 -23.075 3.449 1.00 0.00 H new ATOM 0 HE3 LYS A 50 21.111 -22.666 3.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 21.410 -25.050 3.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 20.351 -24.511 2.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 21.957 -24.907 2.079 1.00 0.00 H new ATOM 805 N PRO A 51 22.104 -19.143 -1.354 1.00 0.00 N ATOM 806 CA PRO A 51 22.655 -18.847 -2.680 1.00 0.00 C ATOM 807 C PRO A 51 22.046 -19.724 -3.769 1.00 0.00 C ATOM 808 O PRO A 51 22.203 -19.450 -4.958 1.00 0.00 O ATOM 809 CB PRO A 51 24.146 -19.151 -2.520 1.00 0.00 C ATOM 810 CG PRO A 51 24.214 -20.142 -1.410 1.00 0.00 C ATOM 811 CD PRO A 51 23.089 -19.794 -0.475 1.00 0.00 C ATOM 0 HA PRO A 51 22.446 -17.823 -2.990 1.00 0.00 H new ATOM 0 HB2 PRO A 51 24.568 -19.557 -3.439 1.00 0.00 H new ATOM 0 HB3 PRO A 51 24.710 -18.250 -2.281 1.00 0.00 H new ATOM 0 HG2 PRO A 51 24.107 -21.159 -1.788 1.00 0.00 H new ATOM 0 HG3 PRO A 51 25.176 -20.091 -0.900 1.00 0.00 H new ATOM 0 HD2 PRO A 51 22.675 -20.682 0.004 1.00 0.00 H new ATOM 0 HD3 PRO A 51 23.420 -19.127 0.321 1.00 0.00 H new ATOM 819 N ASN A 52 21.351 -20.778 -3.355 1.00 0.00 N ATOM 820 CA ASN A 52 20.719 -21.695 -4.296 1.00 0.00 C ATOM 821 C ASN A 52 19.361 -21.164 -4.744 1.00 0.00 C ATOM 822 O ASN A 52 19.062 -21.124 -5.937 1.00 0.00 O ATOM 823 CB ASN A 52 20.555 -23.077 -3.661 1.00 0.00 C ATOM 824 CG ASN A 52 21.869 -23.643 -3.160 1.00 0.00 C ATOM 825 OD1 ASN A 52 22.603 -24.292 -3.906 1.00 0.00 O ATOM 826 ND2 ASN A 52 22.173 -23.399 -1.890 1.00 0.00 N ATOM 0 H ASN A 52 21.211 -21.018 -2.374 1.00 0.00 H new ATOM 0 HA ASN A 52 21.363 -21.779 -5.171 1.00 0.00 H new ATOM 0 HB2 ASN A 52 19.851 -23.011 -2.831 1.00 0.00 H new ATOM 0 HB3 ASN A 52 20.123 -23.761 -4.392 1.00 0.00 H new ATOM 0 HD21 ASN A 52 23.045 -23.754 -1.497 1.00 0.00 H new ATOM 0 HD22 ASN A 52 21.535 -22.856 -1.308 1.00 0.00 H new ATOM 833 N GLU A 53 18.543 -20.757 -3.778 1.00 0.00 N ATOM 834 CA GLU A 53 17.216 -20.229 -4.074 1.00 0.00 C ATOM 835 C GLU A 53 17.307 -18.816 -4.642 1.00 0.00 C ATOM 836 O GLU A 53 18.397 -18.260 -4.786 1.00 0.00 O ATOM 837 CB GLU A 53 16.350 -20.228 -2.812 1.00 0.00 C ATOM 838 CG GLU A 53 16.699 -19.118 -1.836 1.00 0.00 C ATOM 839 CD GLU A 53 16.222 -19.410 -0.426 1.00 0.00 C ATOM 840 OE1 GLU A 53 15.072 -19.046 -0.103 1.00 0.00 O ATOM 841 OE2 GLU A 53 16.998 -20.001 0.353 1.00 0.00 O ATOM 0 H GLU A 53 18.775 -20.783 -2.785 1.00 0.00 H new ATOM 0 HA GLU A 53 16.755 -20.874 -4.822 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.303 -20.131 -3.100 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.455 -21.189 -2.309 1.00 0.00 H new ATOM 0 HG2 GLU A 53 17.779 -18.973 -1.827 1.00 0.00 H new ATOM 0 HG3 GLU A 53 16.255 -18.184 -2.180 1.00 0.00 H new ATOM 848 N THR A 54 16.154 -18.238 -4.965 1.00 0.00 N ATOM 849 CA THR A 54 16.103 -16.891 -5.519 1.00 0.00 C ATOM 850 C THR A 54 15.136 -16.011 -4.735 1.00 0.00 C ATOM 851 O THR A 54 14.051 -16.450 -4.353 1.00 0.00 O ATOM 852 CB THR A 54 15.678 -16.908 -7.000 1.00 0.00 C ATOM 853 OG1 THR A 54 16.512 -17.809 -7.738 1.00 0.00 O ATOM 854 CG2 THR A 54 15.768 -15.516 -7.605 1.00 0.00 C ATOM 0 H THR A 54 15.243 -18.682 -4.852 1.00 0.00 H new ATOM 0 HA THR A 54 17.109 -16.479 -5.442 1.00 0.00 H new ATOM 0 HB THR A 54 14.642 -17.244 -7.054 1.00 0.00 H new ATOM 0 HG1 THR A 54 16.235 -17.816 -8.678 1.00 0.00 H new ATOM 0 HG21 THR A 54 15.463 -15.553 -8.651 1.00 0.00 H new ATOM 0 HG22 THR A 54 15.111 -14.839 -7.059 1.00 0.00 H new ATOM 0 HG23 THR A 54 16.795 -15.156 -7.539 1.00 0.00 H new ATOM 862 N VAL A 55 15.535 -14.765 -4.500 1.00 0.00 N ATOM 863 CA VAL A 55 14.703 -13.822 -3.763 1.00 0.00 C ATOM 864 C VAL A 55 14.779 -12.427 -4.374 1.00 0.00 C ATOM 865 O VAL A 55 15.828 -12.010 -4.863 1.00 0.00 O ATOM 866 CB VAL A 55 15.119 -13.744 -2.282 1.00 0.00 C ATOM 867 CG1 VAL A 55 14.276 -12.715 -1.544 1.00 0.00 C ATOM 868 CG2 VAL A 55 15.003 -15.111 -1.624 1.00 0.00 C ATOM 0 H VAL A 55 16.430 -14.385 -4.810 1.00 0.00 H new ATOM 0 HA VAL A 55 13.678 -14.188 -3.826 1.00 0.00 H new ATOM 0 HB VAL A 55 16.161 -13.428 -2.231 1.00 0.00 H new ATOM 0 HG11 VAL A 55 14.584 -12.674 -0.499 1.00 0.00 H new ATOM 0 HG12 VAL A 55 14.414 -11.736 -2.002 1.00 0.00 H new ATOM 0 HG13 VAL A 55 13.225 -12.997 -1.601 1.00 0.00 H new ATOM 0 HG21 VAL A 55 15.301 -15.038 -0.578 1.00 0.00 H new ATOM 0 HG22 VAL A 55 13.971 -15.457 -1.684 1.00 0.00 H new ATOM 0 HG23 VAL A 55 15.654 -15.819 -2.138 1.00 0.00 H new ATOM 878 N GLN A 56 13.659 -11.712 -4.343 1.00 0.00 N ATOM 879 CA GLN A 56 13.599 -10.363 -4.895 1.00 0.00 C ATOM 880 C GLN A 56 12.703 -9.467 -4.046 1.00 0.00 C ATOM 881 O GLN A 56 11.482 -9.621 -4.039 1.00 0.00 O ATOM 882 CB GLN A 56 13.086 -10.401 -6.335 1.00 0.00 C ATOM 883 CG GLN A 56 11.859 -11.280 -6.521 1.00 0.00 C ATOM 884 CD GLN A 56 12.185 -12.604 -7.184 1.00 0.00 C ATOM 885 OE1 GLN A 56 12.645 -13.566 -6.393 1.00 0.00 O flip ATOM 886 NE2 GLN A 56 12.024 -12.760 -8.395 1.00 0.00 N flip ATOM 0 H GLN A 56 12.782 -12.044 -3.942 1.00 0.00 H new ATOM 0 HA GLN A 56 14.607 -9.949 -4.887 1.00 0.00 H new ATOM 0 HB2 GLN A 56 12.847 -9.386 -6.654 1.00 0.00 H new ATOM 0 HB3 GLN A 56 13.883 -10.761 -6.986 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.400 -11.467 -5.550 1.00 0.00 H new ATOM 0 HG3 GLN A 56 11.123 -10.748 -7.124 1.00 0.00 H new ATOM 0 HE21 GLN A 56 11.668 -11.993 -8.965 1.00 0.00 H new ATOM 0 HE22 GLN A 56 12.247 -13.656 -8.828 1.00 0.00 H new ATOM 895 N CYS A 57 13.318 -8.530 -3.332 1.00 0.00 N ATOM 896 CA CYS A 57 12.577 -7.609 -2.479 1.00 0.00 C ATOM 897 C CYS A 57 12.547 -6.209 -3.087 1.00 0.00 C ATOM 898 O CYS A 57 13.530 -5.754 -3.673 1.00 0.00 O ATOM 899 CB CYS A 57 13.203 -7.558 -1.084 1.00 0.00 C ATOM 900 SG CYS A 57 14.850 -6.781 -1.036 1.00 0.00 S ATOM 0 H CYS A 57 14.328 -8.389 -3.327 1.00 0.00 H new ATOM 0 HA CYS A 57 11.553 -7.972 -2.397 1.00 0.00 H new ATOM 0 HB2 CYS A 57 12.536 -7.011 -0.418 1.00 0.00 H new ATOM 0 HB3 CYS A 57 13.281 -8.573 -0.695 1.00 0.00 H new ATOM 905 N CYS A 58 11.413 -5.532 -2.943 1.00 0.00 N ATOM 906 CA CYS A 58 11.253 -4.185 -3.477 1.00 0.00 C ATOM 907 C CYS A 58 10.559 -3.278 -2.465 1.00 0.00 C ATOM 908 O CYS A 58 9.728 -3.730 -1.678 1.00 0.00 O ATOM 909 CB CYS A 58 10.451 -4.222 -4.779 1.00 0.00 C ATOM 910 SG CYS A 58 11.381 -3.662 -6.242 1.00 0.00 S ATOM 0 H CYS A 58 10.591 -5.894 -2.461 1.00 0.00 H new ATOM 0 HA CYS A 58 12.245 -3.781 -3.680 1.00 0.00 H new ATOM 0 HB2 CYS A 58 10.104 -5.241 -4.951 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.564 -3.598 -4.665 1.00 0.00 H new ATOM 915 N SER A 59 10.907 -1.995 -2.492 1.00 0.00 N ATOM 916 CA SER A 59 10.321 -1.025 -1.575 1.00 0.00 C ATOM 917 C SER A 59 9.824 0.204 -2.330 1.00 0.00 C ATOM 918 O SER A 59 10.278 1.323 -2.088 1.00 0.00 O ATOM 919 CB SER A 59 11.346 -0.607 -0.518 1.00 0.00 C ATOM 920 OG SER A 59 12.654 -0.572 -1.061 1.00 0.00 O ATOM 0 H SER A 59 11.592 -1.604 -3.139 1.00 0.00 H new ATOM 0 HA SER A 59 9.471 -1.496 -1.081 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.086 0.375 -0.124 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.315 -1.305 0.319 1.00 0.00 H new ATOM 0 HG SER A 59 13.290 -0.301 -0.366 1.00 0.00 H new ATOM 926 N THR A 60 8.886 -0.012 -3.247 1.00 0.00 N ATOM 927 CA THR A 60 8.326 1.075 -4.040 1.00 0.00 C ATOM 928 C THR A 60 7.110 0.609 -4.831 1.00 0.00 C ATOM 929 O THR A 60 7.004 -0.563 -5.192 1.00 0.00 O ATOM 930 CB THR A 60 9.369 1.654 -5.015 1.00 0.00 C ATOM 931 OG1 THR A 60 10.537 0.826 -5.032 1.00 0.00 O ATOM 932 CG2 THR A 60 9.752 3.072 -4.619 1.00 0.00 C ATOM 0 H THR A 60 8.498 -0.931 -3.459 1.00 0.00 H new ATOM 0 HA THR A 60 8.023 1.853 -3.340 1.00 0.00 H new ATOM 0 HB THR A 60 8.927 1.679 -6.011 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.194 1.200 -5.655 1.00 0.00 H new ATOM 0 HG21 THR A 60 10.489 3.459 -5.322 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.866 3.706 -4.636 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.176 3.067 -3.615 1.00 0.00 H new ATOM 940 N ASP A 61 6.194 1.534 -5.098 1.00 0.00 N ATOM 941 CA ASP A 61 4.985 1.218 -5.849 1.00 0.00 C ATOM 942 C ASP A 61 5.326 0.785 -7.272 1.00 0.00 C ATOM 943 O ASP A 61 6.039 1.485 -7.991 1.00 0.00 O ATOM 944 CB ASP A 61 4.048 2.427 -5.881 1.00 0.00 C ATOM 945 CG ASP A 61 3.527 2.792 -4.506 1.00 0.00 C ATOM 946 OD1 ASP A 61 4.353 3.104 -3.622 1.00 0.00 O ATOM 947 OD2 ASP A 61 2.293 2.766 -4.312 1.00 0.00 O ATOM 0 H ASP A 61 6.266 2.508 -4.805 1.00 0.00 H new ATOM 0 HA ASP A 61 4.482 0.391 -5.348 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.576 3.281 -6.305 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.207 2.214 -6.540 1.00 0.00 H new ATOM 952 N LYS A 62 4.813 -0.374 -7.671 1.00 0.00 N ATOM 953 CA LYS A 62 5.063 -0.901 -9.007 1.00 0.00 C ATOM 954 C LYS A 62 6.544 -1.210 -9.203 1.00 0.00 C ATOM 955 O LYS A 62 7.039 -1.237 -10.330 1.00 0.00 O ATOM 956 CB LYS A 62 4.595 0.098 -10.068 1.00 0.00 C ATOM 957 CG LYS A 62 3.224 0.688 -9.785 1.00 0.00 C ATOM 958 CD LYS A 62 2.311 0.582 -10.995 1.00 0.00 C ATOM 959 CE LYS A 62 2.541 1.727 -11.969 1.00 0.00 C ATOM 960 NZ LYS A 62 3.728 1.487 -12.837 1.00 0.00 N ATOM 0 H LYS A 62 4.222 -0.966 -7.088 1.00 0.00 H new ATOM 0 HA LYS A 62 4.499 -1.828 -9.115 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.322 0.907 -10.139 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.575 -0.398 -11.038 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.771 0.170 -8.940 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.329 1.734 -9.498 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.485 -0.368 -11.501 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.271 0.584 -10.669 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.656 1.857 -12.592 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.679 2.654 -11.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.708 2.145 -13.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.597 1.639 -12.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.708 0.509 -13.189 1.00 0.00 H new ATOM 974 N CYS A 63 7.245 -1.444 -8.099 1.00 0.00 N ATOM 975 CA CYS A 63 8.669 -1.752 -8.148 1.00 0.00 C ATOM 976 C CYS A 63 8.896 -3.248 -8.348 1.00 0.00 C ATOM 977 O CYS A 63 9.526 -3.666 -9.318 1.00 0.00 O ATOM 978 CB CYS A 63 9.357 -1.288 -6.863 1.00 0.00 C ATOM 979 SG CYS A 63 11.098 -1.807 -6.723 1.00 0.00 S ATOM 0 H CYS A 63 6.850 -1.426 -7.159 1.00 0.00 H new ATOM 0 HA CYS A 63 9.101 -1.220 -8.996 1.00 0.00 H new ATOM 0 HB2 CYS A 63 9.308 -0.200 -6.809 1.00 0.00 H new ATOM 0 HB3 CYS A 63 8.804 -1.675 -6.007 1.00 0.00 H new ATOM 984 N ASN A 64 8.376 -4.048 -7.423 1.00 0.00 N ATOM 985 CA ASN A 64 8.522 -5.497 -7.497 1.00 0.00 C ATOM 986 C ASN A 64 8.074 -6.020 -8.859 1.00 0.00 C ATOM 987 O ASN A 64 6.892 -5.967 -9.199 1.00 0.00 O ATOM 988 CB ASN A 64 7.709 -6.170 -6.388 1.00 0.00 C ATOM 989 CG ASN A 64 8.360 -7.444 -5.886 1.00 0.00 C ATOM 990 OD1 ASN A 64 7.676 -8.144 -4.989 1.00 0.00 O flip ATOM 991 ND2 ASN A 64 9.465 -7.795 -6.301 1.00 0.00 N flip ATOM 0 H ASN A 64 7.850 -3.718 -6.614 1.00 0.00 H new ATOM 0 HA ASN A 64 9.577 -5.738 -7.363 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.588 -5.475 -5.557 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.710 -6.398 -6.761 1.00 0.00 H new ATOM 0 HD21 ASN A 64 9.955 -7.226 -6.991 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.890 -8.655 -5.955 1.00 0.00 H new ATOM 998 N LYS A 65 9.027 -6.526 -9.635 1.00 0.00 N ATOM 999 CA LYS A 65 8.733 -7.060 -10.959 1.00 0.00 C ATOM 1000 C LYS A 65 8.743 -8.585 -10.944 1.00 0.00 C ATOM 1001 O LYS A 65 9.758 -9.206 -10.627 1.00 0.00 O ATOM 1002 CB LYS A 65 9.751 -6.543 -11.978 1.00 0.00 C ATOM 1003 CG LYS A 65 11.194 -6.772 -11.566 1.00 0.00 C ATOM 1004 CD LYS A 65 11.998 -7.416 -12.683 1.00 0.00 C ATOM 1005 CE LYS A 65 12.228 -6.449 -13.834 1.00 0.00 C ATOM 1006 NZ LYS A 65 11.134 -6.518 -14.843 1.00 0.00 N ATOM 0 H LYS A 65 10.010 -6.577 -9.369 1.00 0.00 H new ATOM 0 HA LYS A 65 7.737 -6.723 -11.247 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.574 -7.032 -12.936 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.590 -5.476 -12.130 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.650 -5.821 -11.290 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.224 -7.408 -10.681 1.00 0.00 H new ATOM 0 HD2 LYS A 65 12.958 -7.754 -12.293 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.473 -8.299 -13.048 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.301 -5.433 -13.446 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.180 -6.676 -14.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.493 -6.203 -15.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.794 -7.498 -14.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.350 -5.902 -14.548 1.00 0.00 H new TER 1020 LYS A 65