USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 583 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 48 THR OG1 : rot 180:sc= 1.71 USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 31 LYS NZ :NH3+ -114:sc= 0.00325 (180deg=0) USER MOD Set 2.2: A 69 CYS SG : rot 180:sc= -0.499 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= -0.268 USER MOD Single : A 14 ASN :FLIP amide:sc= -0.0892 F(o=-1.6!,f=-0.089) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 146:sc= -0.659 (180deg=-1.87!) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 26 MET CE :methyl 157:sc= -0.109 (180deg=-0.552) USER MOD Single : A 27 HIS : no HD1:sc= -0.37 X(o=-0.37,f=0.065) USER MOD Single : A 28 CYS SG : rot 177:sc= -0.78 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 46 MET CE :methyl -144:sc= -0.263 (180deg=-1.98!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -4.11 K(o=-4.1,f=-10!) USER MOD Single : A 72 LYS NZ :NH3+ -142:sc= 0.846 (180deg=-0.668) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N MET A 8 -7.864 1.942 -10.686 1.00 0.00 N ATOM 67 CA MET A 8 -7.003 1.659 -9.544 1.00 0.00 C ATOM 68 C MET A 8 -7.826 1.221 -8.337 1.00 0.00 C ATOM 69 O MET A 8 -7.864 0.038 -7.996 1.00 0.00 O ATOM 70 CB MET A 8 -6.170 2.892 -9.187 1.00 0.00 C ATOM 71 CG MET A 8 -4.809 2.921 -9.863 1.00 0.00 C ATOM 72 SD MET A 8 -4.226 4.598 -10.179 1.00 0.00 S ATOM 73 CE MET A 8 -2.815 4.679 -9.079 1.00 0.00 C ATOM 0 HA MET A 8 -6.333 0.844 -9.820 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.724 3.788 -9.466 1.00 0.00 H new ATOM 0 HB3 MET A 8 -6.031 2.926 -8.106 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.085 2.401 -9.236 1.00 0.00 H new ATOM 0 HG3 MET A 8 -4.864 2.376 -10.805 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.346 5.660 -9.160 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.144 4.518 -8.052 1.00 0.00 H new ATOM 0 HE3 MET A 8 -2.095 3.908 -9.354 1.00 0.00 H new ATOM 83 N ILE A 9 -8.483 2.181 -7.695 1.00 0.00 N ATOM 84 CA ILE A 9 -9.306 1.893 -6.527 1.00 0.00 C ATOM 85 C ILE A 9 -10.209 0.689 -6.773 1.00 0.00 C ATOM 86 O ILE A 9 -10.379 -0.162 -5.900 1.00 0.00 O ATOM 87 CB ILE A 9 -10.178 3.102 -6.140 1.00 0.00 C ATOM 88 CG1 ILE A 9 -9.297 4.273 -5.698 1.00 0.00 C ATOM 89 CG2 ILE A 9 -11.153 2.721 -5.036 1.00 0.00 C ATOM 90 CD1 ILE A 9 -8.748 5.084 -6.851 1.00 0.00 C ATOM 0 H ILE A 9 -8.461 3.165 -7.964 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.622 1.671 -5.708 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.752 3.412 -7.014 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.876 4.928 -5.047 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.466 3.889 -5.106 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.762 3.586 -4.774 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.799 1.915 -5.383 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.598 2.389 -4.159 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.133 5.897 -6.464 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.141 4.443 -7.490 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.573 5.498 -7.430 1.00 0.00 H new ATOM 102 N ALA A 10 -10.784 0.622 -7.970 1.00 0.00 N ATOM 103 CA ALA A 10 -11.666 -0.480 -8.333 1.00 0.00 C ATOM 104 C ALA A 10 -10.974 -1.825 -8.135 1.00 0.00 C ATOM 105 O ALA A 10 -11.398 -2.636 -7.311 1.00 0.00 O ATOM 106 CB ALA A 10 -12.130 -0.331 -9.774 1.00 0.00 C ATOM 0 H ALA A 10 -10.654 1.318 -8.704 1.00 0.00 H new ATOM 0 HA ALA A 10 -12.536 -0.448 -7.677 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -12.788 -1.161 -10.032 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.670 0.609 -9.887 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.265 -0.334 -10.437 1.00 0.00 H new ATOM 112 N ALA A 11 -9.909 -2.055 -8.895 1.00 0.00 N ATOM 113 CA ALA A 11 -9.158 -3.301 -8.801 1.00 0.00 C ATOM 114 C ALA A 11 -8.694 -3.556 -7.371 1.00 0.00 C ATOM 115 O ALA A 11 -8.971 -4.610 -6.797 1.00 0.00 O ATOM 116 CB ALA A 11 -7.967 -3.272 -9.747 1.00 0.00 C ATOM 0 H ALA A 11 -9.546 -1.395 -9.583 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.819 -4.117 -9.092 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.415 -4.209 -9.666 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.319 -3.145 -10.771 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.312 -2.441 -9.483 1.00 0.00 H new ATOM 122 N TYR A 12 -7.988 -2.587 -6.801 1.00 0.00 N ATOM 123 CA TYR A 12 -7.482 -2.708 -5.439 1.00 0.00 C ATOM 124 C TYR A 12 -8.598 -3.107 -4.478 1.00 0.00 C ATOM 125 O TYR A 12 -8.418 -3.979 -3.629 1.00 0.00 O ATOM 126 CB TYR A 12 -6.852 -1.390 -4.987 1.00 0.00 C ATOM 127 CG TYR A 12 -5.607 -1.018 -5.761 1.00 0.00 C ATOM 128 CD1 TYR A 12 -4.608 -1.953 -6.001 1.00 0.00 C ATOM 129 CD2 TYR A 12 -5.431 0.270 -6.253 1.00 0.00 C ATOM 130 CE1 TYR A 12 -3.469 -1.617 -6.707 1.00 0.00 C ATOM 131 CE2 TYR A 12 -4.296 0.615 -6.962 1.00 0.00 C ATOM 132 CZ TYR A 12 -3.318 -0.332 -7.185 1.00 0.00 C ATOM 133 OH TYR A 12 -2.186 0.006 -7.890 1.00 0.00 O ATOM 0 H TYR A 12 -7.753 -1.708 -7.261 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.721 -3.488 -5.429 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.586 -0.591 -5.091 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -6.604 -1.460 -3.928 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.724 -2.960 -5.629 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -6.194 1.014 -6.078 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.701 -2.356 -6.884 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.175 1.620 -7.339 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.236 0.948 -8.157 1.00 0.00 H new ATOM 143 N GLU A 13 -9.751 -2.460 -4.619 1.00 0.00 N ATOM 144 CA GLU A 13 -10.897 -2.746 -3.763 1.00 0.00 C ATOM 145 C GLU A 13 -11.401 -4.169 -3.988 1.00 0.00 C ATOM 146 O GLU A 13 -11.501 -4.959 -3.050 1.00 0.00 O ATOM 147 CB GLU A 13 -12.023 -1.746 -4.030 1.00 0.00 C ATOM 148 CG GLU A 13 -13.060 -1.687 -2.921 1.00 0.00 C ATOM 149 CD GLU A 13 -13.622 -3.052 -2.574 1.00 0.00 C ATOM 150 OE1 GLU A 13 -14.496 -3.540 -3.320 1.00 0.00 O ATOM 151 OE2 GLU A 13 -13.188 -3.631 -1.556 1.00 0.00 O ATOM 0 H GLU A 13 -9.916 -1.735 -5.317 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.576 -2.652 -2.725 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.592 -0.754 -4.166 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.518 -2.010 -4.965 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.610 -1.247 -2.031 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.875 -1.030 -3.225 1.00 0.00 H new ATOM 158 N ASN A 14 -11.719 -4.488 -5.239 1.00 0.00 N ATOM 159 CA ASN A 14 -12.214 -5.814 -5.587 1.00 0.00 C ATOM 160 C ASN A 14 -11.267 -6.899 -5.082 1.00 0.00 C ATOM 161 O ASN A 14 -11.663 -7.773 -4.311 1.00 0.00 O ATOM 162 CB ASN A 14 -12.384 -5.936 -7.103 1.00 0.00 C ATOM 163 CG ASN A 14 -13.386 -7.007 -7.488 1.00 0.00 C ATOM 164 OD1 ASN A 14 -13.172 -8.222 -6.995 1.00 0.00 O flip ATOM 165 ND2 ASN A 14 -14.341 -6.746 -8.219 1.00 0.00 N flip ATOM 0 H ASN A 14 -11.642 -3.846 -6.028 1.00 0.00 H new ATOM 0 HA ASN A 14 -13.183 -5.950 -5.107 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -12.708 -4.977 -7.508 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.420 -6.165 -7.557 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -14.467 -5.798 -8.575 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -15.007 -7.477 -8.469 1.00 0.00 H new ATOM 172 N SER A 15 -10.014 -6.835 -5.522 1.00 0.00 N ATOM 173 CA SER A 15 -9.011 -7.812 -5.117 1.00 0.00 C ATOM 174 C SER A 15 -9.144 -8.145 -3.634 1.00 0.00 C ATOM 175 O SER A 15 -9.701 -7.368 -2.859 1.00 0.00 O ATOM 176 CB SER A 15 -7.606 -7.283 -5.409 1.00 0.00 C ATOM 177 OG SER A 15 -6.653 -8.332 -5.398 1.00 0.00 O ATOM 0 H SER A 15 -9.670 -6.117 -6.159 1.00 0.00 H new ATOM 0 HA SER A 15 -9.175 -8.724 -5.692 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.595 -6.788 -6.380 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.335 -6.533 -4.666 1.00 0.00 H new ATOM 0 HG SER A 15 -5.763 -7.968 -5.589 1.00 0.00 H new ATOM 183 N LYS A 16 -8.628 -9.307 -3.247 1.00 0.00 N ATOM 184 CA LYS A 16 -8.687 -9.745 -1.857 1.00 0.00 C ATOM 185 C LYS A 16 -7.294 -9.772 -1.236 1.00 0.00 C ATOM 186 O LYS A 16 -6.290 -9.637 -1.936 1.00 0.00 O ATOM 187 CB LYS A 16 -9.326 -11.132 -1.765 1.00 0.00 C ATOM 188 CG LYS A 16 -8.416 -12.253 -2.236 1.00 0.00 C ATOM 189 CD LYS A 16 -8.791 -13.581 -1.598 1.00 0.00 C ATOM 190 CE LYS A 16 -10.059 -14.155 -2.210 1.00 0.00 C ATOM 191 NZ LYS A 16 -10.296 -15.560 -1.779 1.00 0.00 N ATOM 0 H LYS A 16 -8.164 -9.962 -3.876 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.299 -9.033 -1.303 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.617 -11.321 -0.732 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.239 -11.142 -2.360 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.476 -12.340 -3.321 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.382 -12.010 -1.992 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.972 -14.290 -1.723 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.933 -13.444 -0.526 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.911 -13.539 -1.924 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.988 -14.116 -3.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.170 -15.915 -2.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.495 -16.153 -2.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.390 -15.594 -0.744 1.00 0.00 H new ATOM 205 N TRP A 17 -7.241 -9.951 0.079 1.00 0.00 N ATOM 206 CA TRP A 17 -5.970 -9.998 0.793 1.00 0.00 C ATOM 207 C TRP A 17 -5.158 -11.220 0.379 1.00 0.00 C ATOM 208 O TRP A 17 -5.653 -12.346 0.416 1.00 0.00 O ATOM 209 CB TRP A 17 -6.210 -10.017 2.303 1.00 0.00 C ATOM 210 CG TRP A 17 -4.947 -9.958 3.107 1.00 0.00 C ATOM 211 CD1 TRP A 17 -4.425 -8.863 3.735 1.00 0.00 C ATOM 212 CD2 TRP A 17 -4.045 -11.039 3.366 1.00 0.00 C ATOM 213 NE1 TRP A 17 -3.254 -9.199 4.369 1.00 0.00 N ATOM 214 CE2 TRP A 17 -2.999 -10.528 4.159 1.00 0.00 C ATOM 215 CE3 TRP A 17 -4.020 -12.390 3.008 1.00 0.00 C ATOM 216 CZ2 TRP A 17 -1.941 -11.321 4.597 1.00 0.00 C ATOM 217 CZ3 TRP A 17 -2.970 -13.175 3.443 1.00 0.00 C ATOM 218 CH2 TRP A 17 -1.942 -12.639 4.231 1.00 0.00 C ATOM 0 H TRP A 17 -8.063 -10.066 0.672 1.00 0.00 H new ATOM 0 HA TRP A 17 -5.403 -9.104 0.534 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -6.844 -9.172 2.573 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -6.757 -10.923 2.565 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -4.868 -7.878 3.733 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -2.669 -8.562 4.909 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.808 -12.813 2.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -1.148 -10.910 5.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -2.941 -14.220 3.171 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -1.135 -13.279 4.555 1.00 0.00 H new ATOM 229 N GLU A 18 -3.909 -10.991 -0.014 1.00 0.00 N ATOM 230 CA GLU A 18 -3.030 -12.075 -0.435 1.00 0.00 C ATOM 231 C GLU A 18 -1.679 -11.986 0.269 1.00 0.00 C ATOM 232 O GLU A 18 -1.132 -10.903 0.482 1.00 0.00 O ATOM 233 CB GLU A 18 -2.830 -12.040 -1.952 1.00 0.00 C ATOM 234 CG GLU A 18 -1.938 -10.903 -2.421 1.00 0.00 C ATOM 235 CD GLU A 18 -2.295 -10.419 -3.813 1.00 0.00 C ATOM 236 OE1 GLU A 18 -3.422 -10.704 -4.269 1.00 0.00 O ATOM 237 OE2 GLU A 18 -1.447 -9.756 -4.447 1.00 0.00 O ATOM 0 H GLU A 18 -3.483 -10.065 -0.050 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.502 -13.018 -0.159 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.398 -12.987 -2.275 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.802 -11.952 -2.437 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.016 -10.072 -1.720 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.899 -11.233 -2.410 1.00 0.00 H new ATOM 244 N PRO A 19 -1.128 -13.150 0.641 1.00 0.00 N ATOM 245 CA PRO A 19 0.165 -13.231 1.327 1.00 0.00 C ATOM 246 C PRO A 19 1.329 -12.858 0.416 1.00 0.00 C ATOM 247 O PRO A 19 1.771 -13.663 -0.405 1.00 0.00 O ATOM 248 CB PRO A 19 0.258 -14.703 1.738 1.00 0.00 C ATOM 249 CG PRO A 19 -0.605 -15.424 0.761 1.00 0.00 C ATOM 250 CD PRO A 19 -1.724 -14.479 0.420 1.00 0.00 C ATOM 0 HA PRO A 19 0.226 -12.536 2.165 1.00 0.00 H new ATOM 0 HB2 PRO A 19 1.287 -15.061 1.697 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.091 -14.852 2.760 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.041 -15.698 -0.130 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.992 -16.348 1.190 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.056 -14.604 -0.611 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.594 -14.640 1.057 1.00 0.00 H new ATOM 258 N VAL A 20 1.823 -11.633 0.565 1.00 0.00 N ATOM 259 CA VAL A 20 2.938 -11.154 -0.244 1.00 0.00 C ATOM 260 C VAL A 20 4.011 -10.510 0.626 1.00 0.00 C ATOM 261 O VAL A 20 3.715 -9.681 1.486 1.00 0.00 O ATOM 262 CB VAL A 20 2.468 -10.135 -1.299 1.00 0.00 C ATOM 263 CG1 VAL A 20 1.655 -9.027 -0.647 1.00 0.00 C ATOM 264 CG2 VAL A 20 3.659 -9.561 -2.052 1.00 0.00 C ATOM 0 H VAL A 20 1.469 -10.954 1.239 1.00 0.00 H new ATOM 0 HA VAL A 20 3.358 -12.023 -0.750 1.00 0.00 H new ATOM 0 HB VAL A 20 1.827 -10.649 -2.015 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.332 -8.317 -1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.781 -9.457 -0.157 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.269 -8.512 0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.309 -8.843 -2.793 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.327 -9.062 -1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.196 -10.367 -2.553 1.00 0.00 H new ATOM 274 N LYS A 21 5.262 -10.897 0.396 1.00 0.00 N ATOM 275 CA LYS A 21 6.382 -10.357 1.156 1.00 0.00 C ATOM 276 C LYS A 21 6.791 -8.987 0.625 1.00 0.00 C ATOM 277 O LYS A 21 7.179 -8.852 -0.536 1.00 0.00 O ATOM 278 CB LYS A 21 7.574 -11.315 1.097 1.00 0.00 C ATOM 279 CG LYS A 21 8.813 -10.788 1.801 1.00 0.00 C ATOM 280 CD LYS A 21 9.745 -11.917 2.208 1.00 0.00 C ATOM 281 CE LYS A 21 9.361 -12.497 3.561 1.00 0.00 C ATOM 282 NZ LYS A 21 8.245 -13.476 3.449 1.00 0.00 N ATOM 0 H LYS A 21 5.525 -11.583 -0.311 1.00 0.00 H new ATOM 0 HA LYS A 21 6.064 -10.245 2.193 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.288 -12.266 1.546 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.817 -11.516 0.054 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.341 -10.098 1.143 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.518 -10.222 2.685 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.718 -12.703 1.453 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.770 -11.548 2.247 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.228 -12.985 4.006 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.069 -11.689 4.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.371 -14.228 4.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.340 -12.992 3.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.243 -13.893 2.496 1.00 0.00 H new ATOM 296 N TRP A 22 6.702 -7.975 1.480 1.00 0.00 N ATOM 297 CA TRP A 22 7.064 -6.615 1.096 1.00 0.00 C ATOM 298 C TRP A 22 8.567 -6.394 1.230 1.00 0.00 C ATOM 299 O TRP A 22 9.075 -6.181 2.331 1.00 0.00 O ATOM 300 CB TRP A 22 6.308 -5.602 1.956 1.00 0.00 C ATOM 301 CG TRP A 22 4.852 -5.503 1.615 1.00 0.00 C ATOM 302 CD1 TRP A 22 3.797 -5.770 2.440 1.00 0.00 C ATOM 303 CD2 TRP A 22 4.291 -5.110 0.358 1.00 0.00 C ATOM 304 NE1 TRP A 22 2.614 -5.568 1.771 1.00 0.00 N ATOM 305 CE2 TRP A 22 2.890 -5.162 0.493 1.00 0.00 C ATOM 306 CE3 TRP A 22 4.836 -4.718 -0.868 1.00 0.00 C ATOM 307 CZ2 TRP A 22 2.029 -4.837 -0.553 1.00 0.00 C ATOM 308 CZ3 TRP A 22 3.981 -4.396 -1.904 1.00 0.00 C ATOM 309 CH2 TRP A 22 2.590 -4.457 -1.742 1.00 0.00 C ATOM 0 H TRP A 22 6.382 -8.070 2.444 1.00 0.00 H new ATOM 0 HA TRP A 22 6.786 -6.472 0.052 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.410 -5.879 3.005 1.00 0.00 H new ATOM 0 HB3 TRP A 22 6.769 -4.621 1.839 1.00 0.00 H new ATOM 0 HD1 TRP A 22 3.880 -6.093 3.467 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.681 -5.699 2.163 1.00 0.00 H new ATOM 0 HE3 TRP A 22 5.906 -4.668 -1.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 0.957 -4.883 -0.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.391 -4.092 -2.856 1.00 0.00 H new ATOM 0 HH2 TRP A 22 1.948 -4.199 -2.572 1.00 0.00 H new ATOM 320 N GLU A 23 9.271 -6.445 0.104 1.00 0.00 N ATOM 321 CA GLU A 23 10.716 -6.250 0.099 1.00 0.00 C ATOM 322 C GLU A 23 11.065 -4.764 0.094 1.00 0.00 C ATOM 323 O GLU A 23 10.238 -3.923 -0.253 1.00 0.00 O ATOM 324 CB GLU A 23 11.341 -6.935 -1.119 1.00 0.00 C ATOM 325 CG GLU A 23 11.158 -8.444 -1.129 1.00 0.00 C ATOM 326 CD GLU A 23 11.703 -9.089 -2.388 1.00 0.00 C ATOM 327 OE1 GLU A 23 12.932 -9.290 -2.468 1.00 0.00 O ATOM 328 OE2 GLU A 23 10.899 -9.394 -3.294 1.00 0.00 O ATOM 0 H GLU A 23 8.865 -6.619 -0.815 1.00 0.00 H new ATOM 0 HA GLU A 23 11.120 -6.698 1.007 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.902 -6.518 -2.025 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.406 -6.706 -1.147 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.658 -8.873 -0.260 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.098 -8.678 -1.035 1.00 0.00 H new ATOM 335 N ASN A 24 12.296 -4.450 0.484 1.00 0.00 N ATOM 336 CA ASN A 24 12.755 -3.067 0.526 1.00 0.00 C ATOM 337 C ASN A 24 12.839 -2.478 -0.879 1.00 0.00 C ATOM 338 O ASN A 24 13.030 -3.202 -1.856 1.00 0.00 O ATOM 339 CB ASN A 24 14.122 -2.981 1.209 1.00 0.00 C ATOM 340 CG ASN A 24 14.073 -3.427 2.657 1.00 0.00 C ATOM 341 OD1 ASN A 24 14.097 -4.622 2.952 1.00 0.00 O ATOM 342 ND2 ASN A 24 14.003 -2.465 3.570 1.00 0.00 N ATOM 0 H ASN A 24 12.993 -5.135 0.775 1.00 0.00 H new ATOM 0 HA ASN A 24 12.032 -2.489 1.101 1.00 0.00 H new ATOM 0 HB2 ASN A 24 14.836 -3.599 0.665 1.00 0.00 H new ATOM 0 HB3 ASN A 24 14.486 -1.955 1.160 1.00 0.00 H new ATOM 0 HD21 ASN A 24 13.967 -2.704 4.561 1.00 0.00 H new ATOM 0 HD22 ASN A 24 13.986 -1.487 3.280 1.00 0.00 H new ATOM 349 N ASP A 25 12.695 -1.161 -0.972 1.00 0.00 N ATOM 350 CA ASP A 25 12.755 -0.474 -2.257 1.00 0.00 C ATOM 351 C ASP A 25 11.680 -0.997 -3.204 1.00 0.00 C ATOM 352 O ASP A 25 11.961 -1.324 -4.357 1.00 0.00 O ATOM 353 CB ASP A 25 14.138 -0.649 -2.888 1.00 0.00 C ATOM 354 CG ASP A 25 15.201 0.179 -2.193 1.00 0.00 C ATOM 355 OD1 ASP A 25 14.953 1.379 -1.951 1.00 0.00 O ATOM 356 OD2 ASP A 25 16.280 -0.373 -1.892 1.00 0.00 O ATOM 0 H ASP A 25 12.536 -0.547 -0.173 1.00 0.00 H new ATOM 0 HA ASP A 25 12.575 0.587 -2.083 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.420 -1.701 -2.852 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.092 -0.367 -3.940 1.00 0.00 H new ATOM 361 N MET A 26 10.449 -1.073 -2.710 1.00 0.00 N ATOM 362 CA MET A 26 9.332 -1.556 -3.513 1.00 0.00 C ATOM 363 C MET A 26 8.230 -0.505 -3.599 1.00 0.00 C ATOM 364 O MET A 26 8.246 0.487 -2.870 1.00 0.00 O ATOM 365 CB MET A 26 8.772 -2.851 -2.919 1.00 0.00 C ATOM 366 CG MET A 26 9.433 -4.106 -3.467 1.00 0.00 C ATOM 367 SD MET A 26 8.459 -5.592 -3.162 1.00 0.00 S ATOM 368 CE MET A 26 7.082 -5.330 -4.278 1.00 0.00 C ATOM 0 H MET A 26 10.200 -0.806 -1.758 1.00 0.00 H new ATOM 0 HA MET A 26 9.700 -1.755 -4.520 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.896 -2.828 -1.836 1.00 0.00 H new ATOM 0 HB3 MET A 26 7.701 -2.898 -3.116 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.588 -3.992 -4.540 1.00 0.00 H new ATOM 0 HG3 MET A 26 10.417 -4.222 -3.013 1.00 0.00 H new ATOM 0 HE1 MET A 26 6.622 -6.288 -4.519 1.00 0.00 H new ATOM 0 HE2 MET A 26 6.345 -4.684 -3.801 1.00 0.00 H new ATOM 0 HE3 MET A 26 7.440 -4.859 -5.193 1.00 0.00 H new ATOM 378 N HIS A 27 7.274 -0.728 -4.496 1.00 0.00 N ATOM 379 CA HIS A 27 6.164 0.200 -4.678 1.00 0.00 C ATOM 380 C HIS A 27 4.826 -0.511 -4.500 1.00 0.00 C ATOM 381 O HIS A 27 4.641 -1.633 -4.974 1.00 0.00 O ATOM 382 CB HIS A 27 6.232 0.845 -6.062 1.00 0.00 C ATOM 383 CG HIS A 27 7.424 1.733 -6.252 1.00 0.00 C ATOM 384 ND1 HIS A 27 7.877 2.130 -7.492 1.00 0.00 N ATOM 385 CD2 HIS A 27 8.256 2.302 -5.349 1.00 0.00 C ATOM 386 CE1 HIS A 27 8.937 2.904 -7.344 1.00 0.00 C ATOM 387 NE2 HIS A 27 9.188 3.025 -6.053 1.00 0.00 N ATOM 0 H HIS A 27 7.246 -1.544 -5.108 1.00 0.00 H new ATOM 0 HA HIS A 27 6.246 0.978 -3.919 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.249 0.061 -6.819 1.00 0.00 H new ATOM 0 HB3 HIS A 27 5.326 1.427 -6.227 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.198 2.206 -4.275 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.502 3.360 -8.143 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.950 3.567 -5.645 1.00 0.00 H new ATOM 395 N CYS A 28 3.898 0.147 -3.815 1.00 0.00 N ATOM 396 CA CYS A 28 2.578 -0.423 -3.573 1.00 0.00 C ATOM 397 C CYS A 28 1.550 0.675 -3.316 1.00 0.00 C ATOM 398 O CYS A 28 1.906 1.829 -3.080 1.00 0.00 O ATOM 399 CB CYS A 28 2.624 -1.384 -2.384 1.00 0.00 C ATOM 400 SG CYS A 28 3.237 -0.637 -0.855 1.00 0.00 S ATOM 0 H CYS A 28 4.035 1.076 -3.417 1.00 0.00 H new ATOM 0 HA CYS A 28 2.279 -0.974 -4.464 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.622 -1.776 -2.208 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.258 -2.233 -2.641 1.00 0.00 H new ATOM 0 HG CYS A 28 3.178 -1.508 0.108 1.00 0.00 H new ATOM 406 N ALA A 29 0.274 0.307 -3.366 1.00 0.00 N ATOM 407 CA ALA A 29 -0.805 1.260 -3.138 1.00 0.00 C ATOM 408 C ALA A 29 -1.438 1.054 -1.766 1.00 0.00 C ATOM 409 O ALA A 29 -2.066 0.027 -1.509 1.00 0.00 O ATOM 410 CB ALA A 29 -1.857 1.137 -4.231 1.00 0.00 C ATOM 0 H ALA A 29 -0.038 -0.644 -3.562 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.382 2.264 -3.167 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.657 1.854 -4.048 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.401 1.341 -5.200 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.268 0.127 -4.229 1.00 0.00 H new ATOM 416 N VAL A 30 -1.269 2.038 -0.888 1.00 0.00 N ATOM 417 CA VAL A 30 -1.825 1.965 0.458 1.00 0.00 C ATOM 418 C VAL A 30 -3.172 2.673 0.536 1.00 0.00 C ATOM 419 O VAL A 30 -3.465 3.564 -0.262 1.00 0.00 O ATOM 420 CB VAL A 30 -0.870 2.587 1.494 1.00 0.00 C ATOM 421 CG1 VAL A 30 -0.590 4.043 1.156 1.00 0.00 C ATOM 422 CG2 VAL A 30 -1.447 2.458 2.896 1.00 0.00 C ATOM 0 H VAL A 30 -0.752 2.895 -1.085 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.960 0.908 0.687 1.00 0.00 H new ATOM 0 HB VAL A 30 0.074 2.044 1.463 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.086 4.465 1.899 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.130 4.106 0.170 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.525 4.603 1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.759 2.903 3.615 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.406 2.974 2.944 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.590 1.404 3.135 1.00 0.00 H new ATOM 432 N LYS A 31 -3.991 2.272 1.502 1.00 0.00 N ATOM 433 CA LYS A 31 -5.308 2.869 1.687 1.00 0.00 C ATOM 434 C LYS A 31 -5.380 3.632 3.006 1.00 0.00 C ATOM 435 O LYS A 31 -4.949 3.133 4.046 1.00 0.00 O ATOM 436 CB LYS A 31 -6.390 1.788 1.651 1.00 0.00 C ATOM 437 CG LYS A 31 -7.802 2.336 1.768 1.00 0.00 C ATOM 438 CD LYS A 31 -8.814 1.226 2.000 1.00 0.00 C ATOM 439 CE LYS A 31 -8.784 0.738 3.440 1.00 0.00 C ATOM 440 NZ LYS A 31 -9.198 -0.688 3.551 1.00 0.00 N ATOM 0 H LYS A 31 -3.765 1.535 2.170 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.478 3.572 0.872 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.302 1.229 0.719 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.214 1.083 2.464 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.849 3.050 2.590 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.059 2.879 0.859 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.814 1.587 1.758 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.604 0.394 1.328 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.778 0.857 3.843 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.445 1.356 4.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.094 -0.750 4.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.326 -1.087 2.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.464 -1.224 4.055 1.00 0.00 H new ATOM 454 N ILE A 32 -5.928 4.841 2.956 1.00 0.00 N ATOM 455 CA ILE A 32 -6.058 5.670 4.148 1.00 0.00 C ATOM 456 C ILE A 32 -7.330 5.331 4.918 1.00 0.00 C ATOM 457 O ILE A 32 -8.360 5.012 4.323 1.00 0.00 O ATOM 458 CB ILE A 32 -6.070 7.169 3.793 1.00 0.00 C ATOM 459 CG1 ILE A 32 -4.858 7.520 2.928 1.00 0.00 C ATOM 460 CG2 ILE A 32 -6.087 8.013 5.059 1.00 0.00 C ATOM 461 CD1 ILE A 32 -5.057 8.759 2.084 1.00 0.00 C ATOM 0 H ILE A 32 -6.289 5.268 2.103 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.191 5.460 4.774 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.974 7.385 3.224 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.991 7.665 3.573 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.632 6.677 2.274 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.095 9.070 4.792 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.979 7.779 5.641 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.199 7.796 5.653 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.158 8.948 1.497 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.904 8.611 1.414 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.253 9.613 2.732 1.00 0.00 H new ATOM 473 N GLN A 33 -7.251 5.403 6.242 1.00 0.00 N ATOM 474 CA GLN A 33 -8.397 5.104 7.093 1.00 0.00 C ATOM 475 C GLN A 33 -9.350 6.294 7.160 1.00 0.00 C ATOM 476 O GLN A 33 -10.510 6.196 6.761 1.00 0.00 O ATOM 477 CB GLN A 33 -7.931 4.729 8.500 1.00 0.00 C ATOM 478 CG GLN A 33 -7.490 3.280 8.629 1.00 0.00 C ATOM 479 CD GLN A 33 -7.517 2.787 10.063 1.00 0.00 C ATOM 480 OE1 GLN A 33 -7.455 3.578 11.005 1.00 0.00 O ATOM 481 NE2 GLN A 33 -7.610 1.474 10.236 1.00 0.00 N ATOM 0 H GLN A 33 -6.406 5.666 6.749 1.00 0.00 H new ATOM 0 HA GLN A 33 -8.930 4.259 6.658 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.103 5.379 8.785 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.741 4.918 9.204 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -8.140 2.651 8.020 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -6.481 3.175 8.232 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -7.659 0.855 9.427 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.633 1.084 11.178 1.00 0.00 H new ATOM 490 N ASP A 34 -8.852 7.416 7.668 1.00 0.00 N ATOM 491 CA ASP A 34 -9.659 8.625 7.787 1.00 0.00 C ATOM 492 C ASP A 34 -10.190 9.060 6.425 1.00 0.00 C ATOM 493 O ASP A 34 -11.380 9.335 6.269 1.00 0.00 O ATOM 494 CB ASP A 34 -8.836 9.753 8.411 1.00 0.00 C ATOM 495 CG ASP A 34 -9.705 10.821 9.046 1.00 0.00 C ATOM 496 OD1 ASP A 34 -10.256 10.566 10.137 1.00 0.00 O ATOM 497 OD2 ASP A 34 -9.835 11.911 8.450 1.00 0.00 O ATOM 0 H ASP A 34 -7.894 7.514 8.004 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.508 8.404 8.434 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.168 9.337 9.165 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.208 10.208 7.645 1.00 0.00 H new ATOM 502 N LYS A 35 -9.300 9.121 5.440 1.00 0.00 N ATOM 503 CA LYS A 35 -9.677 9.523 4.090 1.00 0.00 C ATOM 504 C LYS A 35 -10.082 8.312 3.256 1.00 0.00 C ATOM 505 O LYS A 35 -9.953 7.171 3.698 1.00 0.00 O ATOM 506 CB LYS A 35 -8.520 10.259 3.412 1.00 0.00 C ATOM 507 CG LYS A 35 -7.974 11.417 4.229 1.00 0.00 C ATOM 508 CD LYS A 35 -8.960 12.572 4.288 1.00 0.00 C ATOM 509 CE LYS A 35 -8.811 13.367 5.576 1.00 0.00 C ATOM 510 NZ LYS A 35 -7.761 14.417 5.462 1.00 0.00 N ATOM 0 H LYS A 35 -8.311 8.897 5.552 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.532 10.195 4.163 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.714 9.551 3.217 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.856 10.634 2.445 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.750 11.077 5.240 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.036 11.760 3.793 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.803 13.230 3.433 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.977 12.188 4.212 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.764 13.832 5.828 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.561 12.691 6.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.690 14.936 6.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.846 13.971 5.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.012 15.078 4.699 1.00 0.00 H new ATOM 524 N ASN A 36 -10.570 8.569 2.047 1.00 0.00 N ATOM 525 CA ASN A 36 -10.992 7.499 1.150 1.00 0.00 C ATOM 526 C ASN A 36 -10.246 7.576 -0.179 1.00 0.00 C ATOM 527 O ASN A 36 -10.830 7.369 -1.242 1.00 0.00 O ATOM 528 CB ASN A 36 -12.501 7.576 0.905 1.00 0.00 C ATOM 529 CG ASN A 36 -13.277 7.883 2.171 1.00 0.00 C ATOM 530 OD1 ASN A 36 -13.861 8.958 2.310 1.00 0.00 O ATOM 531 ND2 ASN A 36 -13.287 6.937 3.103 1.00 0.00 N ATOM 0 H ASN A 36 -10.683 9.508 1.666 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.755 6.547 1.625 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -12.707 8.345 0.160 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -12.848 6.630 0.490 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -13.793 7.087 3.976 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -12.789 6.061 2.946 1.00 0.00 H new ATOM 538 N GLN A 37 -8.953 7.874 -0.108 1.00 0.00 N ATOM 539 CA GLN A 37 -8.127 7.978 -1.305 1.00 0.00 C ATOM 540 C GLN A 37 -6.979 6.975 -1.263 1.00 0.00 C ATOM 541 O GLN A 37 -6.221 6.925 -0.295 1.00 0.00 O ATOM 542 CB GLN A 37 -7.574 9.397 -1.447 1.00 0.00 C ATOM 543 CG GLN A 37 -8.612 10.412 -1.901 1.00 0.00 C ATOM 544 CD GLN A 37 -7.988 11.659 -2.494 1.00 0.00 C ATOM 545 OE1 GLN A 37 -7.385 11.616 -3.566 1.00 0.00 O ATOM 546 NE2 GLN A 37 -8.130 12.781 -1.798 1.00 0.00 N ATOM 0 H GLN A 37 -8.455 8.048 0.765 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.753 7.751 -2.168 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.162 9.715 -0.489 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.751 9.387 -2.161 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.266 9.951 -2.641 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.237 10.691 -1.053 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.638 12.772 -0.913 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.731 13.652 -2.148 1.00 0.00 H new ATOM 555 N TRP A 38 -6.857 6.178 -2.319 1.00 0.00 N ATOM 556 CA TRP A 38 -5.801 5.176 -2.402 1.00 0.00 C ATOM 557 C TRP A 38 -4.495 5.799 -2.882 1.00 0.00 C ATOM 558 O TRP A 38 -4.364 6.166 -4.050 1.00 0.00 O ATOM 559 CB TRP A 38 -6.217 4.045 -3.345 1.00 0.00 C ATOM 560 CG TRP A 38 -7.035 2.983 -2.674 1.00 0.00 C ATOM 561 CD1 TRP A 38 -8.393 2.965 -2.527 1.00 0.00 C ATOM 562 CD2 TRP A 38 -6.547 1.787 -2.057 1.00 0.00 C ATOM 563 NE1 TRP A 38 -8.778 1.829 -1.856 1.00 0.00 N ATOM 564 CE2 TRP A 38 -7.665 1.090 -1.558 1.00 0.00 C ATOM 565 CE3 TRP A 38 -5.275 1.236 -1.880 1.00 0.00 C ATOM 566 CZ2 TRP A 38 -7.546 -0.128 -0.893 1.00 0.00 C ATOM 567 CZ3 TRP A 38 -5.159 0.027 -1.219 1.00 0.00 C ATOM 568 CH2 TRP A 38 -6.289 -0.644 -0.733 1.00 0.00 C ATOM 0 H TRP A 38 -7.476 6.206 -3.129 1.00 0.00 H new ATOM 0 HA TRP A 38 -5.642 4.769 -1.404 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.788 4.464 -4.174 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.323 3.590 -3.772 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.065 3.731 -2.885 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -9.738 1.577 -1.619 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -4.399 1.745 -2.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -8.415 -0.647 -0.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -4.181 -0.407 -1.075 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -6.165 -1.587 -0.222 1.00 0.00 H new ATOM 579 N ARG A 39 -3.532 5.916 -1.974 1.00 0.00 N ATOM 580 CA ARG A 39 -2.236 6.497 -2.305 1.00 0.00 C ATOM 581 C ARG A 39 -1.177 5.409 -2.459 1.00 0.00 C ATOM 582 O ARG A 39 -1.463 4.223 -2.295 1.00 0.00 O ATOM 583 CB ARG A 39 -1.808 7.491 -1.224 1.00 0.00 C ATOM 584 CG ARG A 39 -2.580 8.800 -1.261 1.00 0.00 C ATOM 585 CD ARG A 39 -2.015 9.808 -0.271 1.00 0.00 C ATOM 586 NE ARG A 39 -2.655 11.114 -0.395 1.00 0.00 N ATOM 587 CZ ARG A 39 -2.399 12.138 0.412 1.00 0.00 C ATOM 588 NH1 ARG A 39 -1.521 12.006 1.396 1.00 0.00 N ATOM 589 NH2 ARG A 39 -3.022 13.296 0.235 1.00 0.00 N ATOM 0 H ARG A 39 -3.624 5.616 -1.003 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.333 7.023 -3.255 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.939 7.029 -0.245 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.745 7.703 -1.337 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.543 9.217 -2.267 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.629 8.612 -1.032 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.149 9.434 0.744 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.942 9.913 -0.433 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.336 11.248 -1.142 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.040 11.117 1.535 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.326 12.793 2.014 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.698 13.401 -0.521 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.825 14.081 0.855 1.00 0.00 H new ATOM 603 N ARG A 40 0.046 5.822 -2.776 1.00 0.00 N ATOM 604 CA ARG A 40 1.147 4.884 -2.954 1.00 0.00 C ATOM 605 C ARG A 40 2.206 5.076 -1.872 1.00 0.00 C ATOM 606 O ARG A 40 2.271 6.125 -1.232 1.00 0.00 O ATOM 607 CB ARG A 40 1.777 5.061 -4.337 1.00 0.00 C ATOM 608 CG ARG A 40 0.913 4.535 -5.471 1.00 0.00 C ATOM 609 CD ARG A 40 -0.043 5.600 -5.984 1.00 0.00 C ATOM 610 NE ARG A 40 0.661 6.801 -6.425 1.00 0.00 N ATOM 611 CZ ARG A 40 0.051 7.864 -6.938 1.00 0.00 C ATOM 612 NH1 ARG A 40 -1.268 7.875 -7.072 1.00 0.00 N ATOM 613 NH2 ARG A 40 0.761 8.919 -7.317 1.00 0.00 N ATOM 0 H ARG A 40 0.299 6.800 -2.915 1.00 0.00 H new ATOM 0 HA ARG A 40 0.747 3.873 -2.871 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.976 6.120 -4.504 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.739 4.549 -4.357 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.550 4.193 -6.287 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.345 3.671 -5.126 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.625 5.196 -6.813 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.749 5.863 -5.197 1.00 0.00 H new ATOM 0 HE ARG A 40 1.677 6.825 -6.334 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.817 7.066 -6.781 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.734 8.692 -7.466 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.776 8.914 -7.215 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.292 9.735 -7.711 1.00 0.00 H new ATOM 627 N GLY A 41 3.034 4.056 -1.674 1.00 0.00 N ATOM 628 CA GLY A 41 4.078 4.132 -0.669 1.00 0.00 C ATOM 629 C GLY A 41 5.289 3.292 -1.025 1.00 0.00 C ATOM 630 O GLY A 41 5.192 2.363 -1.826 1.00 0.00 O ATOM 0 H GLY A 41 3.001 3.178 -2.192 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.384 5.171 -0.546 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.679 3.801 0.290 1.00 0.00 H new ATOM 634 N GLN A 42 6.431 3.620 -0.430 1.00 0.00 N ATOM 635 CA GLN A 42 7.665 2.890 -0.691 1.00 0.00 C ATOM 636 C GLN A 42 8.058 2.037 0.511 1.00 0.00 C ATOM 637 O GLN A 42 8.255 2.552 1.612 1.00 0.00 O ATOM 638 CB GLN A 42 8.796 3.862 -1.033 1.00 0.00 C ATOM 639 CG GLN A 42 9.983 3.200 -1.714 1.00 0.00 C ATOM 640 CD GLN A 42 11.129 4.162 -1.953 1.00 0.00 C ATOM 641 OE1 GLN A 42 11.251 5.183 -1.275 1.00 0.00 O ATOM 642 NE2 GLN A 42 11.979 3.842 -2.922 1.00 0.00 N ATOM 0 H GLN A 42 6.527 4.387 0.236 1.00 0.00 H new ATOM 0 HA GLN A 42 7.493 2.230 -1.541 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.406 4.646 -1.682 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.137 4.346 -0.118 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.333 2.370 -1.100 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.662 2.779 -2.667 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.841 2.986 -3.460 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.770 4.452 -3.129 1.00 0.00 H new ATOM 651 N ILE A 43 8.171 0.731 0.292 1.00 0.00 N ATOM 652 CA ILE A 43 8.541 -0.192 1.357 1.00 0.00 C ATOM 653 C ILE A 43 9.802 0.275 2.077 1.00 0.00 C ATOM 654 O ILE A 43 10.915 -0.094 1.703 1.00 0.00 O ATOM 655 CB ILE A 43 8.771 -1.615 0.815 1.00 0.00 C ATOM 656 CG1 ILE A 43 7.526 -2.110 0.076 1.00 0.00 C ATOM 657 CG2 ILE A 43 9.133 -2.562 1.949 1.00 0.00 C ATOM 658 CD1 ILE A 43 6.283 -2.134 0.937 1.00 0.00 C ATOM 0 H ILE A 43 8.012 0.289 -0.613 1.00 0.00 H new ATOM 0 HA ILE A 43 7.709 -0.210 2.061 1.00 0.00 H new ATOM 0 HB ILE A 43 9.602 -1.590 0.110 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.348 -1.470 -0.788 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.714 -3.114 -0.305 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.292 -3.564 1.550 1.00 0.00 H new ATOM 0 HG22 ILE A 43 10.045 -2.216 2.435 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.321 -2.586 2.676 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.440 -2.495 0.348 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.442 -2.797 1.788 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.070 -1.127 1.296 1.00 0.00 H new ATOM 670 N ILE A 44 9.619 1.089 3.111 1.00 0.00 N ATOM 671 CA ILE A 44 10.742 1.604 3.885 1.00 0.00 C ATOM 672 C ILE A 44 11.425 0.491 4.672 1.00 0.00 C ATOM 673 O ILE A 44 12.552 0.103 4.366 1.00 0.00 O ATOM 674 CB ILE A 44 10.293 2.707 4.862 1.00 0.00 C ATOM 675 CG1 ILE A 44 9.778 3.924 4.091 1.00 0.00 C ATOM 676 CG2 ILE A 44 11.441 3.101 5.779 1.00 0.00 C ATOM 677 CD1 ILE A 44 9.370 5.076 4.982 1.00 0.00 C ATOM 0 H ILE A 44 8.704 1.406 3.432 1.00 0.00 H new ATOM 0 HA ILE A 44 11.449 2.027 3.171 1.00 0.00 H new ATOM 0 HB ILE A 44 9.480 2.319 5.476 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.553 4.264 3.404 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.924 3.624 3.484 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.108 3.881 6.464 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.765 2.231 6.350 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.273 3.473 5.181 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.015 5.903 4.367 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.573 4.753 5.651 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.228 5.402 5.570 1.00 0.00 H new ATOM 689 N ARG A 45 10.733 -0.021 5.685 1.00 0.00 N ATOM 690 CA ARG A 45 11.273 -1.090 6.515 1.00 0.00 C ATOM 691 C ARG A 45 10.150 -1.899 7.158 1.00 0.00 C ATOM 692 O ARG A 45 9.286 -1.347 7.840 1.00 0.00 O ATOM 693 CB ARG A 45 12.185 -0.513 7.599 1.00 0.00 C ATOM 694 CG ARG A 45 11.437 -0.022 8.827 1.00 0.00 C ATOM 695 CD ARG A 45 12.209 1.070 9.551 1.00 0.00 C ATOM 696 NE ARG A 45 11.912 2.396 9.017 1.00 0.00 N ATOM 697 CZ ARG A 45 12.483 3.511 9.458 1.00 0.00 C ATOM 698 NH1 ARG A 45 13.378 3.460 10.435 1.00 0.00 N ATOM 699 NH2 ARG A 45 12.160 4.681 8.921 1.00 0.00 N ATOM 0 H ARG A 45 9.798 0.288 5.950 1.00 0.00 H new ATOM 0 HA ARG A 45 11.855 -1.753 5.875 1.00 0.00 H new ATOM 0 HB2 ARG A 45 12.902 -1.276 7.902 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.757 0.314 7.178 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.459 0.358 8.531 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.263 -0.857 9.506 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.964 1.044 10.613 1.00 0.00 H new ATOM 0 HD3 ARG A 45 13.278 0.876 9.465 1.00 0.00 H new ATOM 0 HE ARG A 45 11.228 2.470 8.264 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.630 2.563 10.850 1.00 0.00 H new ATOM 0 HH12 ARG A 45 13.815 4.318 10.772 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.473 4.724 8.169 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.599 5.537 9.261 1.00 0.00 H new ATOM 713 N MET A 46 10.168 -3.209 6.936 1.00 0.00 N ATOM 714 CA MET A 46 9.152 -4.093 7.495 1.00 0.00 C ATOM 715 C MET A 46 9.266 -4.160 9.014 1.00 0.00 C ATOM 716 O MET A 46 10.264 -4.640 9.552 1.00 0.00 O ATOM 717 CB MET A 46 9.283 -5.496 6.899 1.00 0.00 C ATOM 718 CG MET A 46 8.649 -5.634 5.524 1.00 0.00 C ATOM 719 SD MET A 46 8.199 -7.336 5.135 1.00 0.00 S ATOM 720 CE MET A 46 6.763 -7.554 6.183 1.00 0.00 C ATOM 0 H MET A 46 10.875 -3.682 6.373 1.00 0.00 H new ATOM 0 HA MET A 46 8.173 -3.688 7.240 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.339 -5.756 6.831 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.821 -6.214 7.577 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.759 -5.006 5.474 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.343 -5.264 4.769 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.744 -8.574 6.567 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.811 -6.854 7.017 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.858 -7.367 5.604 1.00 0.00 H new ATOM 730 N VAL A 47 8.236 -3.676 9.703 1.00 0.00 N ATOM 731 CA VAL A 47 8.221 -3.683 11.160 1.00 0.00 C ATOM 732 C VAL A 47 7.882 -5.068 11.700 1.00 0.00 C ATOM 733 O VAL A 47 8.697 -5.702 12.371 1.00 0.00 O ATOM 734 CB VAL A 47 7.206 -2.665 11.715 1.00 0.00 C ATOM 735 CG1 VAL A 47 7.298 -2.592 13.232 1.00 0.00 C ATOM 736 CG2 VAL A 47 7.430 -1.296 11.092 1.00 0.00 C ATOM 0 H VAL A 47 7.402 -3.275 9.275 1.00 0.00 H new ATOM 0 HA VAL A 47 9.222 -3.404 11.488 1.00 0.00 H new ATOM 0 HB VAL A 47 6.202 -2.998 11.452 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.574 -1.868 13.606 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.084 -3.573 13.657 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.302 -2.283 13.521 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.704 -0.590 11.495 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.438 -0.952 11.322 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.308 -1.364 10.011 1.00 0.00 H new ATOM 746 N THR A 48 6.673 -5.533 11.403 1.00 0.00 N ATOM 747 CA THR A 48 6.225 -6.843 11.859 1.00 0.00 C ATOM 748 C THR A 48 5.626 -7.649 10.713 1.00 0.00 C ATOM 749 O THR A 48 5.595 -7.192 9.570 1.00 0.00 O ATOM 750 CB THR A 48 5.182 -6.720 12.985 1.00 0.00 C ATOM 751 OG1 THR A 48 3.866 -6.636 12.427 1.00 0.00 O ATOM 752 CG2 THR A 48 5.453 -5.493 13.843 1.00 0.00 C ATOM 0 H THR A 48 5.986 -5.022 10.849 1.00 0.00 H new ATOM 0 HA THR A 48 7.104 -7.361 12.243 1.00 0.00 H new ATOM 0 HB THR A 48 5.254 -7.607 13.614 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.209 -6.560 13.150 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.703 -5.428 14.631 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.444 -5.573 14.290 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.406 -4.598 13.223 1.00 0.00 H new ATOM 760 N ASP A 49 5.150 -8.850 11.025 1.00 0.00 N ATOM 761 CA ASP A 49 4.549 -9.719 10.020 1.00 0.00 C ATOM 762 C ASP A 49 3.222 -9.148 9.531 1.00 0.00 C ATOM 763 O ASP A 49 2.660 -9.614 8.539 1.00 0.00 O ATOM 764 CB ASP A 49 4.336 -11.122 10.590 1.00 0.00 C ATOM 765 CG ASP A 49 5.574 -11.661 11.279 1.00 0.00 C ATOM 766 OD1 ASP A 49 5.731 -11.415 12.493 1.00 0.00 O ATOM 767 OD2 ASP A 49 6.386 -12.328 10.604 1.00 0.00 O ATOM 0 H ASP A 49 5.169 -9.244 11.966 1.00 0.00 H new ATOM 0 HA ASP A 49 5.232 -9.779 9.172 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.509 -11.101 11.300 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.048 -11.798 9.785 1.00 0.00 H new ATOM 772 N THR A 50 2.724 -8.135 10.234 1.00 0.00 N ATOM 773 CA THR A 50 1.462 -7.502 9.874 1.00 0.00 C ATOM 774 C THR A 50 1.652 -6.015 9.596 1.00 0.00 C ATOM 775 O THR A 50 0.909 -5.419 8.815 1.00 0.00 O ATOM 776 CB THR A 50 0.409 -7.674 10.985 1.00 0.00 C ATOM 777 OG1 THR A 50 0.881 -7.085 12.202 1.00 0.00 O ATOM 778 CG2 THR A 50 0.100 -9.146 11.215 1.00 0.00 C ATOM 0 H THR A 50 3.176 -7.736 11.056 1.00 0.00 H new ATOM 0 HA THR A 50 1.108 -7.996 8.969 1.00 0.00 H new ATOM 0 HB THR A 50 -0.506 -7.172 10.669 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.206 -7.197 12.903 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.646 -9.242 12.004 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.286 -9.585 10.295 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.010 -9.667 11.511 1.00 0.00 H new ATOM 786 N LEU A 51 2.652 -5.421 10.239 1.00 0.00 N ATOM 787 CA LEU A 51 2.941 -4.003 10.060 1.00 0.00 C ATOM 788 C LEU A 51 4.131 -3.803 9.128 1.00 0.00 C ATOM 789 O LEU A 51 5.027 -4.645 9.058 1.00 0.00 O ATOM 790 CB LEU A 51 3.221 -3.345 11.412 1.00 0.00 C ATOM 791 CG LEU A 51 2.105 -3.448 12.453 1.00 0.00 C ATOM 792 CD1 LEU A 51 2.567 -2.887 13.788 1.00 0.00 C ATOM 793 CD2 LEU A 51 0.857 -2.723 11.970 1.00 0.00 C ATOM 0 H LEU A 51 3.276 -5.900 10.889 1.00 0.00 H new ATOM 0 HA LEU A 51 2.067 -3.534 9.608 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.123 -3.791 11.831 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.436 -2.290 11.242 1.00 0.00 H new ATOM 0 HG LEU A 51 1.859 -4.501 12.591 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.760 -2.969 14.516 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.431 -3.450 14.140 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.842 -1.839 13.667 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.073 -2.807 12.723 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.089 -1.671 11.803 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.514 -3.171 11.038 1.00 0.00 H new ATOM 805 N VAL A 52 4.136 -2.682 8.414 1.00 0.00 N ATOM 806 CA VAL A 52 5.218 -2.369 7.488 1.00 0.00 C ATOM 807 C VAL A 52 5.372 -0.863 7.311 1.00 0.00 C ATOM 808 O VAL A 52 4.392 -0.150 7.097 1.00 0.00 O ATOM 809 CB VAL A 52 4.982 -3.015 6.110 1.00 0.00 C ATOM 810 CG1 VAL A 52 5.884 -2.381 5.062 1.00 0.00 C ATOM 811 CG2 VAL A 52 5.209 -4.518 6.181 1.00 0.00 C ATOM 0 H VAL A 52 3.402 -1.975 8.459 1.00 0.00 H new ATOM 0 HA VAL A 52 6.132 -2.776 7.920 1.00 0.00 H new ATOM 0 HB VAL A 52 3.947 -2.840 5.818 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.703 -2.850 4.095 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.669 -1.315 4.994 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.927 -2.524 5.345 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.038 -4.959 5.199 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.234 -4.717 6.494 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.518 -4.957 6.901 1.00 0.00 H new ATOM 821 N GLU A 53 6.609 -0.385 7.403 1.00 0.00 N ATOM 822 CA GLU A 53 6.891 1.038 7.253 1.00 0.00 C ATOM 823 C GLU A 53 7.031 1.413 5.781 1.00 0.00 C ATOM 824 O GLU A 53 7.870 0.865 5.066 1.00 0.00 O ATOM 825 CB GLU A 53 8.168 1.410 8.009 1.00 0.00 C ATOM 826 CG GLU A 53 8.180 2.842 8.517 1.00 0.00 C ATOM 827 CD GLU A 53 9.178 3.055 9.638 1.00 0.00 C ATOM 828 OE1 GLU A 53 9.382 2.119 10.438 1.00 0.00 O ATOM 829 OE2 GLU A 53 9.756 4.160 9.715 1.00 0.00 O ATOM 0 H GLU A 53 7.431 -0.962 7.581 1.00 0.00 H new ATOM 0 HA GLU A 53 6.053 1.594 7.674 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.290 0.733 8.854 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.025 1.259 7.353 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.417 3.514 7.692 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.183 3.107 8.868 1.00 0.00 H new ATOM 836 N VAL A 54 6.202 2.351 5.333 1.00 0.00 N ATOM 837 CA VAL A 54 6.232 2.800 3.947 1.00 0.00 C ATOM 838 C VAL A 54 6.362 4.317 3.863 1.00 0.00 C ATOM 839 O VAL A 54 6.019 5.033 4.805 1.00 0.00 O ATOM 840 CB VAL A 54 4.966 2.362 3.187 1.00 0.00 C ATOM 841 CG1 VAL A 54 5.072 0.903 2.770 1.00 0.00 C ATOM 842 CG2 VAL A 54 3.727 2.593 4.038 1.00 0.00 C ATOM 0 H VAL A 54 5.501 2.815 5.911 1.00 0.00 H new ATOM 0 HA VAL A 54 7.103 2.337 3.484 1.00 0.00 H new ATOM 0 HB VAL A 54 4.877 2.967 2.285 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.169 0.611 2.234 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.937 0.772 2.120 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.186 0.279 3.656 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.842 2.278 3.485 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.805 2.015 4.959 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.645 3.652 4.281 1.00 0.00 H new ATOM 852 N LEU A 55 6.860 4.801 2.731 1.00 0.00 N ATOM 853 CA LEU A 55 7.035 6.234 2.523 1.00 0.00 C ATOM 854 C LEU A 55 6.149 6.732 1.385 1.00 0.00 C ATOM 855 O LEU A 55 6.239 6.247 0.256 1.00 0.00 O ATOM 856 CB LEU A 55 8.501 6.549 2.218 1.00 0.00 C ATOM 857 CG LEU A 55 8.764 7.853 1.464 1.00 0.00 C ATOM 858 CD1 LEU A 55 8.346 9.050 2.304 1.00 0.00 C ATOM 859 CD2 LEU A 55 10.232 7.958 1.076 1.00 0.00 C ATOM 0 H LEU A 55 7.150 4.222 1.943 1.00 0.00 H new ATOM 0 HA LEU A 55 6.741 6.748 3.438 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.049 6.580 3.160 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.915 5.726 1.636 1.00 0.00 H new ATOM 0 HG LEU A 55 8.167 7.849 0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.541 9.969 1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.282 8.982 2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.915 9.059 3.234 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.401 8.892 0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.848 7.939 1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.500 7.118 0.435 1.00 0.00 H new ATOM 871 N LEU A 56 5.295 7.703 1.689 1.00 0.00 N ATOM 872 CA LEU A 56 4.394 8.269 0.692 1.00 0.00 C ATOM 873 C LEU A 56 5.129 9.257 -0.208 1.00 0.00 C ATOM 874 O LEU A 56 4.666 10.377 -0.426 1.00 0.00 O ATOM 875 CB LEU A 56 3.216 8.964 1.377 1.00 0.00 C ATOM 876 CG LEU A 56 2.482 8.149 2.442 1.00 0.00 C ATOM 877 CD1 LEU A 56 1.322 8.945 3.019 1.00 0.00 C ATOM 878 CD2 LEU A 56 1.990 6.831 1.860 1.00 0.00 C ATOM 0 H LEU A 56 5.208 8.115 2.618 1.00 0.00 H new ATOM 0 HA LEU A 56 4.018 7.454 0.074 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.580 9.882 1.838 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.497 9.255 0.611 1.00 0.00 H new ATOM 0 HG LEU A 56 3.181 7.929 3.249 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.812 8.348 3.775 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.700 9.861 3.473 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.622 9.197 2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.470 6.264 2.632 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.307 7.030 1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.840 6.254 1.497 1.00 0.00 H new ATOM 890 N TYR A 57 6.275 8.834 -0.730 1.00 0.00 N ATOM 891 CA TYR A 57 7.074 9.682 -1.607 1.00 0.00 C ATOM 892 C TYR A 57 6.181 10.544 -2.493 1.00 0.00 C ATOM 893 O TYR A 57 6.501 11.697 -2.782 1.00 0.00 O ATOM 894 CB TYR A 57 7.999 8.826 -2.474 1.00 0.00 C ATOM 895 CG TYR A 57 7.268 7.792 -3.301 1.00 0.00 C ATOM 896 CD1 TYR A 57 6.922 6.560 -2.761 1.00 0.00 C ATOM 897 CD2 TYR A 57 6.924 8.048 -4.623 1.00 0.00 C ATOM 898 CE1 TYR A 57 6.255 5.612 -3.513 1.00 0.00 C ATOM 899 CE2 TYR A 57 6.256 7.107 -5.382 1.00 0.00 C ATOM 900 CZ TYR A 57 5.924 5.891 -4.823 1.00 0.00 C ATOM 901 OH TYR A 57 5.259 4.950 -5.576 1.00 0.00 O ATOM 0 H TYR A 57 6.671 7.909 -0.561 1.00 0.00 H new ATOM 0 HA TYR A 57 7.678 10.340 -0.983 1.00 0.00 H new ATOM 0 HB2 TYR A 57 8.565 9.478 -3.140 1.00 0.00 H new ATOM 0 HB3 TYR A 57 8.721 8.321 -1.832 1.00 0.00 H new ATOM 0 HD1 TYR A 57 7.179 6.339 -1.735 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.183 8.999 -5.064 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.994 4.658 -3.078 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.995 7.322 -6.408 1.00 0.00 H new ATOM 0 HH TYR A 57 5.100 5.304 -6.476 1.00 0.00 H new ATOM 911 N ASP A 58 5.059 9.976 -2.922 1.00 0.00 N ATOM 912 CA ASP A 58 4.117 10.692 -3.774 1.00 0.00 C ATOM 913 C ASP A 58 3.792 12.064 -3.193 1.00 0.00 C ATOM 914 O ASP A 58 3.857 13.077 -3.890 1.00 0.00 O ATOM 915 CB ASP A 58 2.833 9.880 -3.946 1.00 0.00 C ATOM 916 CG ASP A 58 1.644 10.747 -4.310 1.00 0.00 C ATOM 917 OD1 ASP A 58 1.818 11.682 -5.118 1.00 0.00 O ATOM 918 OD2 ASP A 58 0.539 10.490 -3.787 1.00 0.00 O ATOM 0 H ASP A 58 4.780 9.022 -2.694 1.00 0.00 H new ATOM 0 HA ASP A 58 4.582 10.832 -4.750 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.983 9.129 -4.722 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.619 9.344 -3.021 1.00 0.00 H new ATOM 923 N VAL A 59 3.441 12.090 -1.911 1.00 0.00 N ATOM 924 CA VAL A 59 3.105 13.337 -1.235 1.00 0.00 C ATOM 925 C VAL A 59 4.283 13.851 -0.414 1.00 0.00 C ATOM 926 O VAL A 59 4.606 15.038 -0.449 1.00 0.00 O ATOM 927 CB VAL A 59 1.886 13.164 -0.310 1.00 0.00 C ATOM 928 CG1 VAL A 59 0.664 12.740 -1.111 1.00 0.00 C ATOM 929 CG2 VAL A 59 2.190 12.157 0.789 1.00 0.00 C ATOM 0 H VAL A 59 3.382 11.261 -1.320 1.00 0.00 H new ATOM 0 HA VAL A 59 2.862 14.062 -2.011 1.00 0.00 H new ATOM 0 HB VAL A 59 1.668 14.124 0.159 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.188 12.623 -0.441 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.436 13.501 -1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.867 11.792 -1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.318 12.047 1.433 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.435 11.193 0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.036 12.508 1.380 1.00 0.00 H new ATOM 939 N GLY A 60 4.921 12.949 0.325 1.00 0.00 N ATOM 940 CA GLY A 60 6.057 13.330 1.144 1.00 0.00 C ATOM 941 C GLY A 60 5.776 13.187 2.627 1.00 0.00 C ATOM 942 O GLY A 60 6.015 14.111 3.404 1.00 0.00 O ATOM 0 H GLY A 60 4.672 11.961 0.371 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.916 12.713 0.879 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.328 14.363 0.927 1.00 0.00 H new ATOM 946 N VAL A 61 5.265 12.024 3.021 1.00 0.00 N ATOM 947 CA VAL A 61 4.951 11.763 4.421 1.00 0.00 C ATOM 948 C VAL A 61 5.390 10.361 4.830 1.00 0.00 C ATOM 949 O VAL A 61 5.005 9.373 4.206 1.00 0.00 O ATOM 950 CB VAL A 61 3.443 11.918 4.695 1.00 0.00 C ATOM 951 CG1 VAL A 61 3.087 11.343 6.058 1.00 0.00 C ATOM 952 CG2 VAL A 61 3.032 13.379 4.600 1.00 0.00 C ATOM 0 H VAL A 61 5.060 11.249 2.391 1.00 0.00 H new ATOM 0 HA VAL A 61 5.498 12.498 5.012 1.00 0.00 H new ATOM 0 HB VAL A 61 2.894 11.360 3.937 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.018 11.461 6.235 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.344 10.284 6.085 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.643 11.871 6.832 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.964 13.470 4.796 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.587 13.962 5.335 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.250 13.754 3.600 1.00 0.00 H new ATOM 962 N GLU A 62 6.197 10.284 5.883 1.00 0.00 N ATOM 963 CA GLU A 62 6.689 9.002 6.375 1.00 0.00 C ATOM 964 C GLU A 62 5.731 8.413 7.407 1.00 0.00 C ATOM 965 O GLU A 62 5.468 9.021 8.446 1.00 0.00 O ATOM 966 CB GLU A 62 8.080 9.166 6.989 1.00 0.00 C ATOM 967 CG GLU A 62 9.084 9.822 6.056 1.00 0.00 C ATOM 968 CD GLU A 62 10.303 10.350 6.788 1.00 0.00 C ATOM 969 OE1 GLU A 62 10.192 11.413 7.434 1.00 0.00 O ATOM 970 OE2 GLU A 62 11.367 9.701 6.715 1.00 0.00 O ATOM 0 H GLU A 62 6.524 11.093 6.412 1.00 0.00 H new ATOM 0 HA GLU A 62 6.752 8.317 5.530 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.999 9.762 7.898 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.456 8.186 7.283 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.401 9.100 5.304 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.600 10.642 5.526 1.00 0.00 H new ATOM 977 N LEU A 63 5.213 7.225 7.114 1.00 0.00 N ATOM 978 CA LEU A 63 4.284 6.552 8.016 1.00 0.00 C ATOM 979 C LEU A 63 4.344 5.040 7.829 1.00 0.00 C ATOM 980 O LEU A 63 5.036 4.540 6.942 1.00 0.00 O ATOM 981 CB LEU A 63 2.859 7.052 7.776 1.00 0.00 C ATOM 982 CG LEU A 63 2.020 6.240 6.788 1.00 0.00 C ATOM 983 CD1 LEU A 63 0.623 6.827 6.666 1.00 0.00 C ATOM 984 CD2 LEU A 63 2.700 6.190 5.428 1.00 0.00 C ATOM 0 H LEU A 63 5.420 6.708 6.259 1.00 0.00 H new ATOM 0 HA LEU A 63 4.576 6.784 9.040 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.337 7.074 8.733 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.912 8.080 7.418 1.00 0.00 H new ATOM 0 HG LEU A 63 1.932 5.221 7.166 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.041 6.236 5.959 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.135 6.811 7.641 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.690 7.855 6.311 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.090 5.608 4.737 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.819 7.203 5.043 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.680 5.723 5.528 1.00 0.00 H new ATOM 996 N VAL A 64 3.611 4.315 8.669 1.00 0.00 N ATOM 997 CA VAL A 64 3.578 2.860 8.594 1.00 0.00 C ATOM 998 C VAL A 64 2.146 2.339 8.652 1.00 0.00 C ATOM 999 O VAL A 64 1.387 2.677 9.560 1.00 0.00 O ATOM 1000 CB VAL A 64 4.390 2.220 9.736 1.00 0.00 C ATOM 1001 CG1 VAL A 64 3.966 2.792 11.080 1.00 0.00 C ATOM 1002 CG2 VAL A 64 4.234 0.707 9.718 1.00 0.00 C ATOM 0 H VAL A 64 3.032 4.712 9.409 1.00 0.00 H new ATOM 0 HA VAL A 64 4.025 2.583 7.639 1.00 0.00 H new ATOM 0 HB VAL A 64 5.443 2.456 9.585 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.551 2.328 11.874 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.135 3.869 11.087 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.907 2.590 11.244 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.814 0.272 10.531 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.183 0.448 9.843 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.593 0.316 8.766 1.00 0.00 H new ATOM 1012 N VAL A 65 1.782 1.514 7.675 1.00 0.00 N ATOM 1013 CA VAL A 65 0.441 0.945 7.614 1.00 0.00 C ATOM 1014 C VAL A 65 0.483 -0.574 7.730 1.00 0.00 C ATOM 1015 O VAL A 65 1.552 -1.181 7.677 1.00 0.00 O ATOM 1016 CB VAL A 65 -0.273 1.329 6.304 1.00 0.00 C ATOM 1017 CG1 VAL A 65 -0.223 2.835 6.091 1.00 0.00 C ATOM 1018 CG2 VAL A 65 0.346 0.594 5.125 1.00 0.00 C ATOM 0 H VAL A 65 2.398 1.225 6.915 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.116 1.356 8.456 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.319 1.031 6.379 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.732 3.088 5.161 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.717 3.337 6.923 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.816 3.160 6.036 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.171 0.877 4.208 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.400 0.859 5.044 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.253 -0.481 5.277 1.00 0.00 H new ATOM 1028 N ASN A 66 -0.687 -1.183 7.890 1.00 0.00 N ATOM 1029 CA ASN A 66 -0.785 -2.633 8.013 1.00 0.00 C ATOM 1030 C ASN A 66 -0.826 -3.295 6.640 1.00 0.00 C ATOM 1031 O ASN A 66 -1.592 -2.889 5.766 1.00 0.00 O ATOM 1032 CB ASN A 66 -2.032 -3.014 8.813 1.00 0.00 C ATOM 1033 CG ASN A 66 -1.930 -4.402 9.416 1.00 0.00 C ATOM 1034 OD1 ASN A 66 -0.974 -4.714 10.126 1.00 0.00 O ATOM 1035 ND2 ASN A 66 -2.918 -5.244 9.134 1.00 0.00 N ATOM 0 H ASN A 66 -1.581 -0.695 7.938 1.00 0.00 H new ATOM 0 HA ASN A 66 0.100 -2.988 8.541 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.186 -2.285 9.609 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.906 -2.966 8.163 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.903 -6.192 9.511 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.691 -4.943 8.541 1.00 0.00 H new ATOM 1042 N VAL A 67 0.004 -4.317 6.456 1.00 0.00 N ATOM 1043 CA VAL A 67 0.062 -5.037 5.190 1.00 0.00 C ATOM 1044 C VAL A 67 -1.336 -5.378 4.687 1.00 0.00 C ATOM 1045 O VAL A 67 -1.536 -5.627 3.498 1.00 0.00 O ATOM 1046 CB VAL A 67 0.880 -6.336 5.319 1.00 0.00 C ATOM 1047 CG1 VAL A 67 2.342 -6.021 5.595 1.00 0.00 C ATOM 1048 CG2 VAL A 67 0.301 -7.222 6.412 1.00 0.00 C ATOM 0 H VAL A 67 0.646 -4.665 7.168 1.00 0.00 H new ATOM 0 HA VAL A 67 0.552 -4.378 4.474 1.00 0.00 H new ATOM 0 HB VAL A 67 0.822 -6.877 4.375 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.904 -6.951 5.683 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.747 -5.428 4.775 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.424 -5.458 6.525 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.890 -8.136 6.490 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.327 -6.691 7.363 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.730 -7.476 6.167 1.00 0.00 H new ATOM 1058 N ASP A 68 -2.301 -5.386 5.600 1.00 0.00 N ATOM 1059 CA ASP A 68 -3.683 -5.695 5.249 1.00 0.00 C ATOM 1060 C ASP A 68 -4.228 -4.684 4.246 1.00 0.00 C ATOM 1061 O ASP A 68 -4.965 -5.042 3.327 1.00 0.00 O ATOM 1062 CB ASP A 68 -4.558 -5.710 6.503 1.00 0.00 C ATOM 1063 CG ASP A 68 -5.979 -6.154 6.212 1.00 0.00 C ATOM 1064 OD1 ASP A 68 -6.218 -7.378 6.155 1.00 0.00 O ATOM 1065 OD2 ASP A 68 -6.851 -5.277 6.042 1.00 0.00 O ATOM 0 H ASP A 68 -2.152 -5.182 6.588 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.703 -6.683 4.789 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.116 -6.377 7.243 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.575 -4.713 6.943 1.00 0.00 H new ATOM 1070 N CYS A 69 -3.861 -3.420 4.428 1.00 0.00 N ATOM 1071 CA CYS A 69 -4.314 -2.356 3.540 1.00 0.00 C ATOM 1072 C CYS A 69 -3.381 -2.213 2.342 1.00 0.00 C ATOM 1073 O CYS A 69 -3.735 -1.596 1.336 1.00 0.00 O ATOM 1074 CB CYS A 69 -4.397 -1.031 4.298 1.00 0.00 C ATOM 1075 SG CYS A 69 -5.974 -0.759 5.140 1.00 0.00 S ATOM 0 H CYS A 69 -3.251 -3.107 5.183 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.307 -2.620 3.175 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -3.594 -0.995 5.034 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.225 -0.213 3.598 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.946 0.386 5.754 1.00 0.00 H new ATOM 1081 N LEU A 70 -2.188 -2.785 2.457 1.00 0.00 N ATOM 1082 CA LEU A 70 -1.202 -2.720 1.384 1.00 0.00 C ATOM 1083 C LEU A 70 -1.643 -3.558 0.188 1.00 0.00 C ATOM 1084 O LEU A 70 -2.167 -4.660 0.349 1.00 0.00 O ATOM 1085 CB LEU A 70 0.160 -3.204 1.886 1.00 0.00 C ATOM 1086 CG LEU A 70 0.933 -2.230 2.775 1.00 0.00 C ATOM 1087 CD1 LEU A 70 2.336 -2.750 3.044 1.00 0.00 C ATOM 1088 CD2 LEU A 70 0.987 -0.851 2.134 1.00 0.00 C ATOM 0 H LEU A 70 -1.880 -3.299 3.282 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.117 -1.681 1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.012 -4.131 2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.779 -3.445 1.022 1.00 0.00 H new ATOM 0 HG LEU A 70 0.411 -2.146 3.728 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.871 -2.043 3.678 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.276 -3.715 3.547 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.869 -2.865 2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.541 -0.171 2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.485 -0.919 1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.026 -0.475 1.995 1.00 0.00 H new ATOM 1100 N ARG A 71 -1.425 -3.028 -1.011 1.00 0.00 N ATOM 1101 CA ARG A 71 -1.799 -3.727 -2.235 1.00 0.00 C ATOM 1102 C ARG A 71 -0.684 -3.640 -3.273 1.00 0.00 C ATOM 1103 O ARG A 71 -0.007 -2.619 -3.389 1.00 0.00 O ATOM 1104 CB ARG A 71 -3.091 -3.141 -2.808 1.00 0.00 C ATOM 1105 CG ARG A 71 -4.343 -3.601 -2.080 1.00 0.00 C ATOM 1106 CD ARG A 71 -4.773 -4.988 -2.532 1.00 0.00 C ATOM 1107 NE ARG A 71 -4.103 -6.042 -1.775 1.00 0.00 N ATOM 1108 CZ ARG A 71 -4.468 -6.415 -0.553 1.00 0.00 C ATOM 1109 NH1 ARG A 71 -5.490 -5.822 0.047 1.00 0.00 N ATOM 1110 NH2 ARG A 71 -3.808 -7.383 0.070 1.00 0.00 N ATOM 0 H ARG A 71 -0.991 -2.117 -1.161 1.00 0.00 H new ATOM 0 HA ARG A 71 -1.962 -4.776 -1.989 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.036 -2.053 -2.767 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.170 -3.417 -3.860 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.158 -3.608 -1.006 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.151 -2.892 -2.260 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.852 -5.089 -2.416 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -4.553 -5.108 -3.593 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.312 -6.518 -2.208 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.999 -5.077 -0.429 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.768 -6.110 0.985 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.021 -7.841 -0.389 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.088 -7.669 1.008 1.00 0.00 H new ATOM 1124 N LYS A 72 -0.499 -4.719 -4.027 1.00 0.00 N ATOM 1125 CA LYS A 72 0.532 -4.766 -5.056 1.00 0.00 C ATOM 1126 C LYS A 72 0.188 -3.835 -6.214 1.00 0.00 C ATOM 1127 O LYS A 72 -0.882 -3.945 -6.816 1.00 0.00 O ATOM 1128 CB LYS A 72 0.702 -6.197 -5.572 1.00 0.00 C ATOM 1129 CG LYS A 72 1.390 -7.122 -4.582 1.00 0.00 C ATOM 1130 CD LYS A 72 2.177 -8.211 -5.291 1.00 0.00 C ATOM 1131 CE LYS A 72 1.278 -9.362 -5.716 1.00 0.00 C ATOM 1132 NZ LYS A 72 1.159 -10.395 -4.650 1.00 0.00 N ATOM 0 H LYS A 72 -1.051 -5.573 -3.944 1.00 0.00 H new ATOM 0 HA LYS A 72 1.469 -4.433 -4.611 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.279 -6.605 -5.817 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.278 -6.175 -6.497 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.060 -6.543 -3.946 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.645 -7.577 -3.929 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.672 -7.792 -6.167 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.960 -8.584 -4.631 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.288 -8.978 -5.962 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.677 -9.819 -6.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.142 -11.340 -5.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.972 -10.324 -4.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.279 -10.243 -4.116 1.00 0.00 H new ATOM 1146 N LEU A 73 1.100 -2.920 -6.523 1.00 0.00 N ATOM 1147 CA LEU A 73 0.893 -1.970 -7.611 1.00 0.00 C ATOM 1148 C LEU A 73 0.764 -2.693 -8.948 1.00 0.00 C ATOM 1149 O LEU A 73 1.763 -2.976 -9.609 1.00 0.00 O ATOM 1150 CB LEU A 73 2.049 -0.970 -7.668 1.00 0.00 C ATOM 1151 CG LEU A 73 1.710 0.418 -8.212 1.00 0.00 C ATOM 1152 CD1 LEU A 73 0.876 1.196 -7.207 1.00 0.00 C ATOM 1153 CD2 LEU A 73 2.981 1.181 -8.557 1.00 0.00 C ATOM 0 H LEU A 73 1.990 -2.816 -6.036 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.035 -1.432 -7.419 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.453 -0.855 -6.662 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.841 -1.396 -8.284 1.00 0.00 H new ATOM 0 HG LEU A 73 1.124 0.297 -9.123 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.644 2.181 -7.612 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.051 0.658 -7.009 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.436 1.308 -6.278 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.720 2.167 -8.943 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.593 1.292 -7.662 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.541 0.632 -9.314 1.00 0.00 H new ATOM 1165 N GLU A 74 -0.472 -2.986 -9.340 1.00 0.00 N ATOM 1166 CA GLU A 74 -0.730 -3.675 -10.599 1.00 0.00 C ATOM 1167 C GLU A 74 -0.128 -2.907 -11.772 1.00 0.00 C ATOM 1168 O GLU A 74 -0.164 -1.678 -11.806 1.00 0.00 O ATOM 1169 CB GLU A 74 -2.235 -3.852 -10.809 1.00 0.00 C ATOM 1170 CG GLU A 74 -2.833 -4.992 -10.002 1.00 0.00 C ATOM 1171 CD GLU A 74 -4.206 -5.401 -10.499 1.00 0.00 C ATOM 1172 OE1 GLU A 74 -4.392 -5.476 -11.731 1.00 0.00 O ATOM 1173 OE2 GLU A 74 -5.094 -5.647 -9.656 1.00 0.00 O ATOM 0 H GLU A 74 -1.309 -2.757 -8.805 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.259 -4.657 -10.550 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.742 -2.925 -10.542 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.427 -4.028 -11.867 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.164 -5.852 -10.044 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.903 -4.694 -8.956 1.00 0.00 H new ATOM 1180 N GLU A 75 0.426 -3.643 -12.731 1.00 0.00 N ATOM 1181 CA GLU A 75 1.037 -3.031 -13.905 1.00 0.00 C ATOM 1182 C GLU A 75 -0.019 -2.370 -14.786 1.00 0.00 C ATOM 1183 O GLU A 75 0.150 -1.235 -15.230 1.00 0.00 O ATOM 1184 CB GLU A 75 1.807 -4.080 -14.711 1.00 0.00 C ATOM 1185 CG GLU A 75 2.682 -3.486 -15.802 1.00 0.00 C ATOM 1186 CD GLU A 75 3.125 -4.518 -16.821 1.00 0.00 C ATOM 1187 OE1 GLU A 75 4.158 -5.180 -16.584 1.00 0.00 O ATOM 1188 OE2 GLU A 75 2.440 -4.665 -17.855 1.00 0.00 O ATOM 0 H GLU A 75 0.464 -4.662 -12.718 1.00 0.00 H new ATOM 0 HA GLU A 75 1.732 -2.263 -13.564 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.431 -4.661 -14.032 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.097 -4.772 -15.163 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.135 -2.692 -16.309 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.561 -3.028 -15.349 1.00 0.00 H new ATOM 1195 N ASN A 76 -1.108 -3.090 -15.036 1.00 0.00 N ATOM 1196 CA ASN A 76 -2.191 -2.575 -15.865 1.00 0.00 C ATOM 1197 C ASN A 76 -2.680 -1.226 -15.345 1.00 0.00 C ATOM 1198 O ASN A 76 -3.039 -0.342 -16.124 1.00 0.00 O ATOM 1199 CB ASN A 76 -3.352 -3.571 -15.901 1.00 0.00 C ATOM 1200 CG ASN A 76 -4.667 -2.914 -16.274 1.00 0.00 C ATOM 1201 OD1 ASN A 76 -5.535 -2.712 -15.426 1.00 0.00 O ATOM 1202 ND2 ASN A 76 -4.818 -2.578 -17.550 1.00 0.00 N ATOM 0 H ASN A 76 -1.264 -4.032 -14.676 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.807 -2.438 -16.876 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -3.127 -4.361 -16.618 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.450 -4.046 -14.925 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -5.681 -2.133 -17.861 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -4.071 -2.765 -18.218 1.00 0.00 H new ATOM 1209 N LEU A 77 -2.690 -1.076 -14.026 1.00 0.00 N ATOM 1210 CA LEU A 77 -3.133 0.166 -13.401 1.00 0.00 C ATOM 1211 C LEU A 77 -2.033 1.221 -13.444 1.00 0.00 C ATOM 1212 O LEU A 77 -2.307 2.417 -13.547 1.00 0.00 O ATOM 1213 CB LEU A 77 -3.553 -0.091 -11.952 1.00 0.00 C ATOM 1214 CG LEU A 77 -4.755 -1.015 -11.755 1.00 0.00 C ATOM 1215 CD1 LEU A 77 -5.006 -1.256 -10.275 1.00 0.00 C ATOM 1216 CD2 LEU A 77 -5.992 -0.429 -12.420 1.00 0.00 C ATOM 0 H LEU A 77 -2.397 -1.798 -13.368 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.990 0.540 -13.961 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.703 -0.515 -11.418 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.777 0.868 -11.484 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.534 -1.973 -12.225 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.865 -1.916 -10.154 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.127 -1.720 -9.828 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.206 -0.306 -9.780 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.838 -1.100 -12.270 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.216 0.542 -11.979 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.809 -0.309 -13.488 1.00 0.00 H new